A0A060X3D2_ONCMY Loading...

BRO1 domain-containing protein BROX

AlphaFold DB , UniProt , Accession A0A060X3D2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110529677, Length 412 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
1M65.4Low89.2Confident82 Ų8217.9 Ų17.940%0.4049%0.094SC..  01380-164.8178-67.100106.6H3 A197 I200M1-H3 PolarHBondContact O-CD2 3.5Å; M1-H3 VanDerWaalsContact O-CD2 3.28Å; M1-H3 PolarHBondContact O-NE2 3.26Å; M1-A197 HydrophobicContact CB-CB 3.82Å; M1-A197 HydrophobicContact CE-CB 4.32Å; M1-A197 HydrophobicContact SD-CB 4.24Å; M1-I200 HydrophobicContact CE-CD1 4.22Å
2T79.3Confident89.7Confident17 Ų1716.7 Ų16.710%0.1049%0.088CC..  trans-78.9144.1175.551.50000109.4K132 V135 F308T2-K132 WeakPolarHBondContact CG2-O 3.5Å; T2-V135 HydrophobicContact CG2-CG2 4.26Å; T2-F308 WeakPolarHBondContact O-CB 3.34Å
3H88Confident90.1Very high13 Ų1317 Ų176%0.069%0.091CC..  trans-124.9150176.6-56.8-98.2000110M1 F5 A130 E193M1-H3 PolarHBondContact O-CD2 3.5Å; M1-H3 VanDerWaalsContact O-CD2 3.28Å; M1-H3 PolarHBondContact O-NE2 3.26Å; H3-F5 HydrophobicContact CB-CE1 3.8Å; H3-F5 HydrophobicContact CB-CE2 4.11Å; H3-F5 HydrophobicContact CB-CZ 3.55Å; H3-A130 HydrophobicContact CB-CB 4.13Å; H3-A130 PolarHBondContact N-O 2.96Å; H3-A130 CarbonylContact O-C 3.41Å; H3-E193 PolarHBondContact CE1-O 3.28Å; H3-E193 IonicContact ND1-OE2 3.42Å; H3-E193 PolarHBondContact ND1-OE2 3.09Å
4W91.4Very high90.3Very high5 Ų517.2 Ų17.22%0.01910%0.096CC..  trans-117.5130.5171.2167.168.9000110Y241 L244 K245 Y291 A301 P303 Q306 F308W4-Y241 HydrophobicContact CE3-CD2 4.41Å; W4-Y241 HydrophobicContact CE3-CE2 4.28Å; W4-Y241 AromaticContact CH2-CD2 3.74Å; W4-Y241 HydrophobicContact CH2-CD2 3.74Å; W4-Y241 HydrophobicContact CH2-CE2 4.35Å; W4-Y241 HydrophobicContact CZ2-CD2 4.42Å; W4-Y241 AromaticContact CZ3-CD2 3.71Å; W4-Y241 HydrophobicContact CZ3-CD2 3.71Å; W4-Y241 HydrophobicContact CZ3-CE2 4.03Å; W4-L244 HydrophobicContact CH2-CD1 4.48Å; W4-L244 HydrophobicContact CZ3-CD1 4.04Å; W4-L244 HydrophobicContact CZ3-CD2 4.28Å; W4-K245 WeakPolarHBondContact O-CE 3.24Å; W4-K245 PolarHBondContact O-NZ 3.47Å; W4-Y291 HydrophobicContact CH2-CD1 4.14Å; W4-Y291 AromaticContact CH2-CE1 3.85Å; W4-Y291 HydrophobicContact CH2-CE1 3.85Å; W4-Y291 HydrophobicContact CH2-CE2 4.41Å; W4-Y291 HydrophobicContact CZ2-CD1 4.43Å; W4-Y291 AromaticContact CZ2-CE1 3.73Å; W4-Y291 HydrophobicContact CZ2-CE1 3.73Å; W4-Y291 AromaticContact CZ2-CZ 3.84Å; W4-A301 HydrophobicContact CZ2-CB 3.82Å; W4-P303 HydrophobicContact CD2-CB 4.14Å; W4-P303 HydrophobicContact CE3-CB 3.53Å; W4-P303 HydrophobicContact CE3-CG 4.34Å; W4-P303 HydrophobicContact CH2-CB 3.88Å; W4-P303 HydrophobicContact CH2-CG 3.76Å; W4-P303 HydrophobicContact CZ2-CB 4.46Å; W4-P303 HydrophobicContact CZ2-CG 4.45Å; W4-P303 HydrophobicContact CZ3-CB 3.38Å; W4-P303 HydrophobicContact CZ3-CG 3.71Å; W4-Q306 VanDerWaalsContact CG-OE1 3.24Å; W4-F308 HydrophobicContact CB-CD1 4.26Å; W4-F308 HydrophobicContact CB-CE1 4.01Å; W4-F308 HydrophobicContact CE3-CE1 4.3Å; W4-F308 HydrophobicContact CE3-CZ 4.12Å
5F93.6Very high90.4Very high4 Ų424 Ų242%0.01814%0.142CC..  trans-127.4131.2178.6-51.7-48.6000110.4H3 R7 S127 A130 V143 L147 E190 E193 Y241H3-F5 HydrophobicContact CB-CE1 3.8Å; H3-F5 HydrophobicContact CB-CE2 4.11Å; H3-F5 HydrophobicContact CB-CZ 3.55Å; F5-R7 VanDerWaalsContact CB-CZ 3.47Å; F5-S127 PolarHBondContact O-OG 3.11Å; F5-A130 HydrophobicContact CD2-CB 4.29Å; F5-A130 HydrophobicContact CE2-CB 3.73Å; F5-V143 HydrophobicContact CE2-CG1 4.17Å; F5-L147 HydrophobicContact CE2-CD1 4.16Å; F5-L147 HydrophobicContact CZ-CD1 4.41Å; F5-E190 HydrophobicContact CD1-CB 4.07Å; F5-E190 HydrophobicContact CD1-CG 3.59Å; F5-E190 HydrophobicContact CE1-CB 3.8Å; F5-E190 HydrophobicContact CE1-CG 3.8Å; F5-E190 HydrophobicContact CG-CG 4.12Å; F5-E190 HydrophobicContact CZ-CB 4.05Å; F5-E190 HydrophobicContact CZ-CG 4.48Å; F5-E193 HydrophobicContact CE1-CG 4.33Å; F5-Y241 WeakPolarHBondContact CA-OH 3.43Å
6H93.4Very high90.6Very high4 Ų423.5 Ų23.52%0.01914%0.139CC..  trans-70.3139.6172.4169.479.1000110.3N8 W238 Y241 Y291 P297H6-N8 PolarHBondContact NE2-OD1 3.04Å; H6-W238 AromaticContact CD2-CD1 3.64Å; H6-Y241 HydrophobicContact CB-CD1 3.62Å; H6-Y241 HydrophobicContact CB-CD2 3.42Å; H6-Y241 VanDerWaalsContact CB-CD2 3.42Å; H6-Y241 HydrophobicContact CB-CE1 3.91Å; H6-Y241 HydrophobicContact CB-CE2 3.72Å; H6-Y241 HydrophobicContact CB-CG 3.34Å; H6-Y241 VanDerWaalsContact N-CE2 3.34Å; H6-Y291 AromaticContact ND1-CE2 3.8Å; H6-Y291 AromaticContact ND1-CZ 3.75Å; H6-Y291 PolarHBondContact ND1-OH 2.85Å; H6-P297 PolarHBondContact CE1-O 3.1Å
7R94.1Very high90.6Very high15 Ų1525.9 Ų25.96%0.05716%0.157CC..  trans-129.7124.6176.3-63.8-67.2174-104.87.5110F5 T123 K124 E190 G298F5-R7 VanDerWaalsContact CB-CZ 3.47Å; R7-T123 WeakPolarHBondContact CD-OG1 3.3Å; R7-T123 VanDerWaalsContact CZ-O 3.27Å; R7-T123 PolarHBondContact NE-O 3.4Å; R7-T123 PolarHBondContact NE-OG1 3.42Å; R7-T123 PolarHBondContact NH2-O 3.09Å; R7-K124 HydrophobicContact CB-CG 4.24Å; R7-K124 HydrophobicContact CG-CG 4.02Å; R7-E190 IonicContact CZ-OE1 3.06Å; R7-E190 IonicContact CZ-OE2 3.46Å; R7-E190 VanDerWaalsContact CZ-OE2 3.22Å; R7-E190 VanDerWaalsContact NH1-CD 3.28Å; R7-E190 IonicContact NH1-OE1 3.43Å; R7-E190 PolarHBondContact NH1-OE1 3.42Å; R7-E190 IonicContact NH1-OE2 2.68Å; R7-E190 PolarHBondContact NH1-OE2 2.87Å; R7-E190 IonicContact NH2-OE1 3.33Å; R7-E190 IonicContact NH2-OE2 3.49Å; R7-E190 PolarHBondContact NH2-OE2 3.35Å; R7-G298 VanDerWaalsContact O-CA 3.28Å; R7-G298 WeakPolarHBondContact O-CA 3.48Å
8N93.6Very high90.6Very high5 Ų524.6 Ų24.63%0.02715%0.149CC..PPolyproline II helixtrans-69.9159.4161.1-63.3-40.5000109.4H6 T95 K124 Y183H6-N8 PolarHBondContact NE2-OD1 3.04Å; N8-T95 HydrophobicContact CB-CG2 4.5Å; N8-K124 WeakPolarHBondContact O-CE 3.4Å; N8-K124 PolarHBondContact O-NZ 2.95Å; N8-Y183 WeakPolarHBondContact CB-OH 3.31Å; N8-Y183 PolarHBondContact ND2-OH 3.32Å
9P92.8Very high90.4Very high42 Ų4227.6 Ų27.627%0.27316%0.164SC..PPolyproline II helixtrans-63.8155.618026.8-36.2000112.7T95 P297 E398P9-T95 WeakPolarHBondContact O-CG2 3.49Å; P9-P297 HydrophobicContact CG-CB 4.46Å; P9-E398 WeakPolarHBondContact CA-OE1 3.26Å
10L94.5Very high90.2Very high9 Ų927.2 Ų27.25%0.04716%0.16CC..PPolyproline II helixtrans-60.3149164.8-75.5162.5000110.8F47 N117 I120 K124 M396 E398L10-F47 HydrophobicContact CD1-CB 4.1Å; L10-N117 VanDerWaalsContact CD2-OD1 3.29Å; L10-N117 WeakPolarHBondContact CD2-OD1 3.45Å; L10-I120 HydrophobicContact CD2-CB 4.01Å; L10-I120 HydrophobicContact CD2-CG2 3.59Å; L10-I120 HydrophobicContact CG-CG2 4.25Å; L10-K124 HydrophobicContact CD1-CD 4.23Å; L10-K124 HydrophobicContact CD2-CD 4.27Å; L10-K124 HydrophobicContact CG-CD 3.88Å; L10-M396 HydrophobicContact CB-CB 4.25Å; L10-M396 HydrophobicContact CB-CG 4.43Å; L10-M396 HydrophobicContact CB-SD 3.9Å; L10-M396 HydrophobicContact CD1-CG 4.36Å; L10-M396 HydrophobicContact CD1-SD 3.76Å; L10-M396 HydrophobicContact CG-SD 4.35Å; L10-E398 HydrophobicContact CD1-CG 4.15Å; L10-E398 PolarHBondContact N-OE1 3.02Å
11K95Very high89.9Confident1 Ų133.1 Ų33.10%0.00418%0.181CC..PPolyproline II helixtrans-71.5142.3171.2-57170.568640108.9W92 T93 D94 T95 Y116 N117 I120 D174K11-W92 HydrophobicContact CB-CE3 3.67Å; K11-W92 HydrophobicContact CB-CZ3 3.92Å; K11-T93 WeakPolarHBondContact CE-O 3.36Å; K11-T93 PolarHBondContact NZ-O 3.17Å; K11-D94 IonicContact NZ-OD1 3.36Å; K11-D94 PolarHBondContact NZ-OD1 3.49Å; K11-T95 HydrophobicContact CG-CG2 4.2Å; K11-Y116 HydrophobicContact CD-CD1 3.89Å; K11-Y116 HydrophobicContact CD-CG 4.34Å; K11-N117 PolarHBondContact N-OD1 3.16Å; K11-N117 PolarHBondContact O-ND2 3.34Å; K11-N117 VanDerWaalsContact O-ND2 3.13Å; K11-I120 HydrophobicContact CD-CD1 4.33Å; K11-I120 HydrophobicContact CG-CD1 4.1Å; K11-D174 VanDerWaalsContact CD-OD2 3.29Å; K11-D174 WeakPolarHBondContact CD-OD2 3.21Å; K11-D174 WeakPolarHBondContact CG-OD2 3.36Å; K11-D174 IonicContact NZ-OD2 3.02Å; K11-D174 PolarHBondContact NZ-OD2 3.2Å
12A94.9Very high90.6Very high3 Ų331.1 Ų31.13%0.02518%0.181CC..  trans-111.2151.3173.300000109.8W92 T93 I393 K394A12-W92 CarbonylContact O-C 3.51Å; A12-W92 VanDerWaalsContact O-CA 3.31Å; A12-W92 WeakPolarHBondContact O-CA 3.49Å; A12-T93 HydrophobicContact CB-CG2 4.29Å; A12-T93 PolarHBondContact N-OG1 2.89Å; A12-T93 PolarHBondContact O-N 3.37Å; A12-T93 PolarHBondContact O-OG1 2.91Å; A12-I393 HydrophobicContact CB-CG2 3.44Å; A12-I393 VanDerWaalsContact CB-CG2 3.44Å; A12-K394 WeakPolarHBondContact CB-O 3.45Å
13T95.6Very high90.9Very high21 Ų2130.4 Ų30.413%0.12918%0.176CC..BIsolated β-bridgetrans-131.8152.6-178.2176.90000111.3R40 L44 K91 W92T13-R40 PolarHBondContact OG1-NH2 2.96Å; T13-L44 HydrophobicContact CG2-CD1 3.76Å; T13-L44 HydrophobicContact CG2-CD2 3.62Å; T13-L44 HydrophobicContact CG2-CG 4.37Å; T13-K91 WeakPolarHBondContact CA-O 3.44Å; T13-K91 PolarHBondContact OG1-O 3.01Å; T13-K91 VanDerWaalsContact OG1-O 3.06Å; T13-W92 HydrophobicContact CG2-CE3 4.34Å; T13-W92 HydrophobicContact CG2-CH2 3.69Å; T13-W92 HydrophobicContact CG2-CZ2 3.84Å; T13-W92 HydrophobicContact CG2-CZ3 3.95Å
14A93.3Very high90.9Very high20 Ų2030.1 Ų30.117%0.16518%0.177CC..  trans-62146.3163.900000110.7R40 K91 I393A14-R40 PolarHBondContact O-NH1 3.24Å; A14-R40 VanDerWaalsContact O-NH1 3.1Å; A14-K91 HydrophobicContact CB-CB 4.09Å; A14-K91 PolarHBondContact N-O 3.22Å; A14-I393 HydrophobicContact CB-CD1 4.17Å; A14-I393 HydrophobicContact CB-CG1 4.49Å
15P91.3Very high90.3Very high119 Ų11932.5 Ų32.577%0.77320%0.203SC*.  trans-60.8143.3168.2-21.333.1000111.2
16V93.3Very high90.2Very high16 Ų1633.2 Ų33.210%0.09721%0.208CC..  trans-126.6123178.6-179.10000108.6F18 Q88 F90V16-F18 HydrophobicContact CB-CD2 4.3Å; V16-F18 HydrophobicContact CB-CE2 3.93Å; V16-F18 HydrophobicContact CB-CZ 4.32Å; V16-F18 HydrophobicContact CG1-CD1 4.17Å; V16-F18 HydrophobicContact CG1-CD2 3.72Å; V16-F18 HydrophobicContact CG1-CE1 4.03Å; V16-F18 HydrophobicContact CG1-CE2 3.59Å; V16-F18 HydrophobicContact CG1-CG 4.02Å; V16-F18 HydrophobicContact CG1-CZ 3.74Å; V16-Q88 HydrophobicContact CG1-CG 3.75Å; V16-F90 HydrophobicContact CG1-CE1 4.2Å; V16-F90 HydrophobicContact CG2-CD1 3.93Å; V16-F90 HydrophobicContact CG2-CE1 4.16Å
17S90.4Very high90.1Very high64 Ų6438.5 Ų38.545%0.44824%0.243SC..  trans-84.3-20.8-177630000113.6N19 R37S17-N19 PolarHBondContact O-N 2.83Å; S17-N19 VanDerWaalsContact O-N 3.13Å; S17-N19 PolarHBondContact OG-N 3.46Å; S17-R37 WeakPolarHBondContact O-CD 3.43Å
18F91.6Very high90.1Very high2 Ų240.9 Ų40.91%0.00926%0.262CS..  trans50.427.8-169.1-62.6-86.2000113.2V16 F20 C33 L36 R37 R40 Y64 F71 F90V16-F18 HydrophobicContact CB-CD2 4.3Å; V16-F18 HydrophobicContact CB-CE2 3.93Å; V16-F18 HydrophobicContact CB-CZ 4.32Å; V16-F18 HydrophobicContact CG1-CD1 4.17Å; V16-F18 HydrophobicContact CG1-CD2 3.72Å; V16-F18 HydrophobicContact CG1-CE1 4.03Å; V16-F18 HydrophobicContact CG1-CE2 3.59Å; V16-F18 HydrophobicContact CG1-CG 4.02Å; V16-F18 HydrophobicContact CG1-CZ 3.74Å; F18-F20 HydrophobicContact CB-CE2 4.05Å; F18-F20 HydrophobicContact CB-CZ 4.29Å; F18-F20 HydrophobicContact CD1-CE2 4.24Å; F18-F20 AromaticContact CD1-CZ 3.95Å; F18-F20 HydrophobicContact CD1-CZ 3.95Å; F18-F20 WeakPolarHBondContact O-CD2 3.05Å; F18-F20 WeakPolarHBondContact O-CE2 3.49Å; F18-F20 PolarHBondContact O-N 2.82Å; F18-C33 HydrophobicContact CB-CB 4.4Å; F18-C33 VanDerWaalsContact O-CB 3.31Å; F18-C33 WeakPolarHBondContact O-CB 3.46Å; F18-L36 HydrophobicContact CB-CB 4.47Å; F18-L36 HydrophobicContact CD1-CB 4.08Å; F18-L36 HydrophobicContact CD1-CD1 4.06Å; F18-L36 HydrophobicContact CD2-CB 4Å; F18-L36 HydrophobicContact CE1-CB 4.31Å; F18-L36 HydrophobicContact CE1-CD1 4.35Å; F18-L36 HydrophobicContact CE2-CB 4.21Å; F18-L36 HydrophobicContact CG-CB 3.93Å; F18-L36 HydrophobicContact CZ-CB 4.37Å; F18-R37 HydrophobicContact CD2-CB 4.03Å; F18-R40 HydrophobicContact CE2-CB 4.31Å; F18-Y64 HydrophobicContact CZ-CE2 4.46Å; F18-F71 HydrophobicContact CD1-CE2 4.31Å; F18-F71 HydrophobicContact CE1-CE2 4.45Å; F18-F90 HydrophobicContact CE1-CE1 4.16Å; F18-F90 HydrophobicContact CE1-CZ 4.12Å; F18-F90 HydrophobicContact CZ-CE1 4.03Å; F18-F90 HydrophobicContact CZ-CZ 4.42Å
19N86.9Confident90Very high82 Ų8240.7 Ų40.744%0.43926%0.261SS..  trans-89101.1176.2-1764.4000109.9S17 Y21S17-N19 PolarHBondContact O-N 2.83Å; S17-N19 VanDerWaalsContact O-N 3.13Å; S17-N19 PolarHBondContact OG-N 3.46Å; N19-Y21 VanDerWaalsContact C-N 3.34Å; N19-Y21 PolarHBondContact OD1-N 3.44Å
20F86Confident90Very high19 Ų1941.8 Ų41.88%0.08326%0.264CS..  trans-94.615.3178.9-51.4-69.8000113.4F18 G22 V23 F71 M87 Q88F18-F20 HydrophobicContact CB-CE2 4.05Å; F18-F20 HydrophobicContact CB-CZ 4.29Å; F18-F20 HydrophobicContact CD1-CE2 4.24Å; F18-F20 AromaticContact CD1-CZ 3.95Å; F18-F20 HydrophobicContact CD1-CZ 3.95Å; F18-F20 WeakPolarHBondContact O-CD2 3.05Å; F18-F20 WeakPolarHBondContact O-CE2 3.49Å; F18-F20 PolarHBondContact O-N 2.82Å; F20-G22 PolarHBondContact O-N 3.2Å; F20-V23 HydrophobicContact CB-CB 3.77Å; F20-V23 HydrophobicContact CB-CG1 4.31Å; F20-V23 HydrophobicContact CB-CG2 4.25Å; F20-V23 VanDerWaalsContact O-CB 3.24Å; F20-V23 WeakPolarHBondContact O-CB 3.28Å; F20-V23 WeakPolarHBondContact O-CG2 3.41Å; F20-V23 PolarHBondContact O-N 2.97Å; F20-F71 HydrophobicContact CE2-CE2 4.04Å; F20-F71 AromaticContact CE2-CZ 3.67Å; F20-F71 HydrophobicContact CE2-CZ 3.67Å; F20-F71 AromaticContact CZ-CE2 3.73Å; F20-F71 HydrophobicContact CZ-CE2 3.73Å; F20-F71 AromaticContact CZ-CZ 3.88Å; F20-F71 HydrophobicContact CZ-CZ 3.88Å; F20-M87 HydrophobicContact CD1-CE 4.15Å; F20-M87 HydrophobicContact CE1-CB 4.31Å; F20-Q88 HydrophobicContact CE1-CB 4.23Å; F20-Q88 HydrophobicContact CZ-CB 4.42Å
21Y82.8Confident90Very high153 Ų15346 Ų4660%0.628%0.282SS*.G310 helixtrans49.7-126.5177.8-57.4-87.5000112N19 V23 A24N19-Y21 VanDerWaalsContact C-N 3.34Å; N19-Y21 PolarHBondContact OD1-N 3.44Å; Y21-V23 PolarHBondContact O-N 3.46Å; Y21-V23 VanDerWaalsContact O-N 3.11Å; Y21-A24 PolarHBondContact O-N 3.22Å
22G81.1Confident90Very high39 Ų3946 Ų4640%0.40228%0.282SS..G310 helixtrans-67.1-6.4-17800000115.5F20 K377F20-G22 PolarHBondContact O-N 3.2Å; G22-K377 VanDerWaalsContact O-CB 3.25Å; G22-K377 WeakPolarHBondContact O-CB 3.38Å; G22-K377 WeakPolarHBondContact O-CD 3.34Å
23V86.1Confident90Very high2 Ų246.2 Ų46.21%0.01228%0.284CS..G310 helixtrans-69.8-41.1177.4178.80000111F20 Y21 G25 M87 F373 D374 L375 G378F20-V23 HydrophobicContact CB-CB 3.77Å; F20-V23 HydrophobicContact CB-CG1 4.31Å; F20-V23 HydrophobicContact CB-CG2 4.25Å; F20-V23 VanDerWaalsContact O-CB 3.24Å; F20-V23 WeakPolarHBondContact O-CB 3.28Å; F20-V23 WeakPolarHBondContact O-CG2 3.41Å; F20-V23 PolarHBondContact O-N 2.97Å; Y21-V23 PolarHBondContact O-N 3.46Å; Y21-V23 VanDerWaalsContact O-N 3.11Å; V23-G25 PolarHBondContact O-N 3.3Å; V23-M87 HydrophobicContact CG1-CE 4.01Å; V23-M87 HydrophobicContact CG2-CE 4.11Å; V23-F373 HydrophobicContact CG1-CB 4.33Å; V23-F373 HydrophobicContact CG1-CD1 4.18Å; V23-F373 CarbonylContact O-C 3.55Å; V23-F373 VanDerWaalsContact O-CA 3.27Å; V23-F373 WeakPolarHBondContact O-CA 3.27Å; V23-D374 WeakPolarHBondContact CA-O 3.24Å; V23-D374 PolarHBondContact O-N 3.32Å; V23-L375 HydrophobicContact CG1-CD2 4.02Å; V23-G378 VanDerWaalsContact CG2-CA 3.4Å
24A86.4Confident90Very high8 Ų848.8 Ų48.87%0.06630%0.296CS..BIsolated β-bridgetrans-79.986.3178.700000110Y21 S26 A29 N30 F373Y21-A24 PolarHBondContact O-N 3.22Å; A24-S26 VanDerWaalsContact C-N 3.33Å; A24-S26 PolarHBondContact O-N 3.39Å; A24-A29 HydrophobicContact CB-CB 4.05Å; A24-N30 PolarHBondContact O-ND2 3.49Å; A24-F373 HydrophobicContact CB-CE1 4.41Å
25G80.2Confident90.2Very high55 Ų5549.8 Ų49.857%0.56730%0.299SS*.  trans-76.4-9.3-16900000116.2V23 T372V23-G25 PolarHBondContact O-N 3.3Å; G25-T372 PolarHBondContact N-O 3.23Å; G25-T372 VanDerWaalsContact N-O 3.13Å
26S90.2Very high90.5Very high19 Ų1944.1 Ų44.113%0.13326%0.262CS..SBendtrans-127.1156.9-17770.10000113A24 S28 A29 N30 T372A24-S26 VanDerWaalsContact C-N 3.33Å; A24-S26 PolarHBondContact O-N 3.39Å; S26-S28 PolarHBondContact O-N 3.31Å; S26-A29 PolarHBondContact O-N 3.2Å; S26-A29 WeakPolarHBondContact OG-CB 3.4Å; S26-A29 PolarHBondContact OG-N 2.92Å; S26-N30 PolarHBondContact O-N 2.98Å; S26-N30 PolarHBondContact O-ND2 2.88Å; S26-T372 WeakPolarHBondContact CB-OG1 3.18Å; S26-T372 PolarHBondContact OG-OG1 3.49Å
27P92.5Very high90.6Very high115 Ų11548.7 Ų48.775%0.74728%0.278SS*.Hα-helixtrans-55.7-38.2172.1-26.335.4000112.9N30 K31P27-N30 PolarHBondContact O-N 3.47Å; P27-K31 PolarHBondContact O-N 3.3Å
28S93.3Very high91Very high65 Ų6549.7 Ų49.746%0.45528%0.281SS..Hα-helixtrans-66.3-42.1177.5-53.50000112.5S26 N30 K31 I32S26-S28 PolarHBondContact O-N 3.31Å; S28-N30 PolarHBondContact O-N 2.85Å; S28-K31 WeakPolarHBondContact O-CB 3.26Å; S28-K31 PolarHBondContact O-N 3.44Å; S28-I32 PolarHBondContact O-N 2.93Å
29A92.3Very high91.3Very high0 Ų050.9 Ų50.90%029%0.288CS..Hα-helixtrans-63-41.5174.200000111.9A24 S26 K31 I32 C33 V369 F373A24-A29 HydrophobicContact CB-CB 4.05Å; S26-A29 PolarHBondContact O-N 3.2Å; S26-A29 WeakPolarHBondContact OG-CB 3.4Å; S26-A29 PolarHBondContact OG-N 2.92Å; A29-K31 VanDerWaalsContact C-N 3.32Å; A29-K31 PolarHBondContact O-N 3.25Å; A29-I32 PolarHBondContact O-N 2.83Å; A29-C33 PolarHBondContact O-N 3.37Å; A29-C33 VanDerWaalsContact O-N 3.12Å; A29-C33 PolarHBondContact O-SG 2.96Å; A29-V369 HydrophobicContact CB-CG1 4.35Å; A29-F373 HydrophobicContact CB-CD2 3.98Å; A29-F373 HydrophobicContact CB-CE1 4.35Å; A29-F373 HydrophobicContact CB-CE2 3.46Å; A29-F373 VanDerWaalsContact CB-CE2 3.46Å; A29-F373 HydrophobicContact CB-CZ 3.67Å
30N92.4Very high91.8Very high65 Ų6547.2 Ų47.235%0.34827%0.268SS..Hα-helixtrans-64.5-36.8174.7-77-69.4000112.2A24 S26 P27 S28 C33 N34A24-N30 PolarHBondContact O-ND2 3.49Å; S26-N30 PolarHBondContact O-N 2.98Å; S26-N30 PolarHBondContact O-ND2 2.88Å; P27-N30 PolarHBondContact O-N 3.47Å; S28-N30 PolarHBondContact O-N 2.85Å; N30-C33 PolarHBondContact O-N 2.79Å; N30-N34 PolarHBondContact O-N 3.47Å; N30-N34 PolarHBondContact O-ND2 3.37Å; N30-N34 VanDerWaalsContact O-ND2 3.13Å
31K94.8Very high92.3Very high99 Ų9949 Ų4943%0.4329%0.287SS..Hα-helixtrans-61.1-47.7173.5-173.3-177.6178.9-63.20111.4P27 S28 A29 C33 N34 D35P27-K31 PolarHBondContact O-N 3.3Å; S28-K31 WeakPolarHBondContact O-CB 3.26Å; S28-K31 PolarHBondContact O-N 3.44Å; A29-K31 VanDerWaalsContact C-N 3.32Å; A29-K31 PolarHBondContact O-N 3.25Å; K31-C33 VanDerWaalsContact C-N 3.29Å; K31-C33 PolarHBondContact O-N 3.05Å; K31-N34 PolarHBondContact O-N 3.37Å; K31-N34 VanDerWaalsContact O-N 3.15Å; K31-D35 IonicContact NZ-OD2 3.8Å; K31-D35 PolarHBondContact NZ-OD2 3.39Å; K31-D35 WeakPolarHBondContact O-CB 3.48Å; K31-D35 PolarHBondContact O-N 3.49Å
32I95.1Very high93Very high1 Ų147.3 Ų47.31%0.00528%0.28CS..Hα-helixtrans-57.1-43.6176.5-69170.3000111.2S28 A29 N34 D35 L36 Q364 V369 Y370S28-I32 PolarHBondContact O-N 2.93Å; A29-I32 PolarHBondContact O-N 2.83Å; I32-N34 PolarHBondContact O-N 3.13Å; I32-D35 PolarHBondContact O-N 3.49Å; I32-L36 HydrophobicContact CG2-CD1 3.96Å; I32-L36 HydrophobicContact CG2-CG 4.41Å; I32-L36 WeakPolarHBondContact O-CB 3.45Å; I32-L36 WeakPolarHBondContact O-CG 3.47Å; I32-L36 PolarHBondContact O-N 3.23Å; I32-Q364 WeakPolarHBondContact CD1-O 3.38Å; I32-Q364 HydrophobicContact CG1-CB 4.26Å; I32-V369 HydrophobicContact CD1-CB 4.47Å; I32-V369 HydrophobicContact CD1-CG1 3.57Å; I32-Y370 HydrophobicContact CD1-CE2 3.81Å
33C95Very high93.8Very high7 Ų745.4 Ų45.45%0.04726%0.26CS..Hα-helixtrans-62.3-43177.8-64.60000112.4F18 A29 N30 K31 R37F18-C33 HydrophobicContact CB-CB 4.4Å; F18-C33 VanDerWaalsContact O-CB 3.31Å; F18-C33 WeakPolarHBondContact O-CB 3.46Å; A29-C33 PolarHBondContact O-N 3.37Å; A29-C33 VanDerWaalsContact O-N 3.12Å; A29-C33 PolarHBondContact O-SG 2.96Å; N30-C33 PolarHBondContact O-N 2.79Å; K31-C33 VanDerWaalsContact C-N 3.29Å; K31-C33 PolarHBondContact O-N 3.05Å; C33-R37 PolarHBondContact O-N 3.45Å; C33-R37 VanDerWaalsContact O-N 3.08Å
34N95.4Very high94.3Very high74 Ų7446.9 Ų46.940%0.39627%0.268SS..Hα-helixtrans-66.4-40.4176.1-75.7-42.7000112.4N30 K31 I32 R37 T38N30-N34 PolarHBondContact O-N 3.47Å; N30-N34 PolarHBondContact O-ND2 3.37Å; N30-N34 VanDerWaalsContact O-ND2 3.13Å; K31-N34 PolarHBondContact O-N 3.37Å; K31-N34 VanDerWaalsContact O-N 3.15Å; I32-N34 PolarHBondContact O-N 3.13Å; N34-R37 PolarHBondContact O-N 3.01Å; N34-R37 PolarHBondContact OD1-NH2 3.41Å; N34-T38 WeakPolarHBondContact O-CB 3.35Å; N34-T38 PolarHBondContact O-N 2.93Å; N34-T38 PolarHBondContact O-OG1 3.36Å
35D97.1Very high94.7Very high41 Ų4151.4 Ų51.422%0.21929%0.288CS..Hα-helixtrans-67.7-41.7178-71.6-3.7000110.4K31 I32 R37 T38 T39 L67 Q364K31-D35 IonicContact NZ-OD2 3.8Å; K31-D35 PolarHBondContact NZ-OD2 3.39Å; K31-D35 WeakPolarHBondContact O-CB 3.48Å; K31-D35 PolarHBondContact O-N 3.49Å; I32-D35 PolarHBondContact O-N 3.49Å; D35-R37 PolarHBondContact O-N 3.39Å; D35-T38 PolarHBondContact O-N 3.37Å; D35-T39 WeakPolarHBondContact O-CB 3.18Å; D35-T39 VanDerWaalsContact O-CG2 3.31Å; D35-T39 WeakPolarHBondContact O-CG2 3.47Å; D35-T39 PolarHBondContact O-N 3.36Å; D35-T39 PolarHBondContact O-OG1 2.79Å; D35-L67 HydrophobicContact CB-CD1 3.75Å; D35-Q364 PolarHBondContact OD2-NE2 3.01Å; D35-Q364 VanDerWaalsContact OD2-NE2 3.11Å; D35-Q364 PolarHBondContact OD2-OE1 3.17Å
36L97.2Very high95.4Very high0 Ų048.8 Ų48.80%026%0.261CS..Hα-helixtrans-56.4-47.6172.2-84167.3000111.6F18 I32 T38 T39 R40 Y64 L67 L68 F71F18-L36 HydrophobicContact CB-CB 4.47Å; F18-L36 HydrophobicContact CD1-CB 4.08Å; F18-L36 HydrophobicContact CD1-CD1 4.06Å; F18-L36 HydrophobicContact CD2-CB 4Å; F18-L36 HydrophobicContact CE1-CB 4.31Å; F18-L36 HydrophobicContact CE1-CD1 4.35Å; F18-L36 HydrophobicContact CE2-CB 4.21Å; F18-L36 HydrophobicContact CG-CB 3.93Å; F18-L36 HydrophobicContact CZ-CB 4.37Å; I32-L36 HydrophobicContact CG2-CD1 3.96Å; I32-L36 HydrophobicContact CG2-CG 4.41Å; I32-L36 WeakPolarHBondContact O-CB 3.45Å; I32-L36 WeakPolarHBondContact O-CG 3.47Å; I32-L36 PolarHBondContact O-N 3.23Å; L36-T38 PolarHBondContact O-N 2.9Å; L36-T39 PolarHBondContact O-OG1 3.19Å; L36-R40 WeakPolarHBondContact O-CB 3.46Å; L36-R40 PolarHBondContact O-N 3.5Å; L36-Y64 HydrophobicContact CD2-CD2 4.48Å; L36-Y64 HydrophobicContact CD2-CE2 4.11Å; L36-L67 HydrophobicContact CD2-CB 3.57Å; L36-L67 HydrophobicContact CG-CB 4.03Å; L36-L68 HydrophobicContact CD2-CB 4.36Å; L36-F71 HydrophobicContact CD1-CD1 4.41Å; L36-F71 HydrophobicContact CD1-CE1 3.64Å; L36-F71 HydrophobicContact CD1-CE2 4.39Å; L36-F71 HydrophobicContact CD1-CZ 3.63Å
37R96.8Very high95.6Very high113 Ų11348.2 Ų48.243%0.42626%0.256SS..Hα-helixtrans-60-47.5177-177.1-176.464-164.4-5.5111.5S17 F18 C33 N34 D35 A41S17-R37 WeakPolarHBondContact O-CD 3.43Å; F18-R37 HydrophobicContact CD2-CB 4.03Å; C33-R37 PolarHBondContact O-N 3.45Å; C33-R37 VanDerWaalsContact O-N 3.08Å; N34-R37 PolarHBondContact O-N 3.01Å; N34-R37 PolarHBondContact OD1-NH2 3.41Å; D35-R37 PolarHBondContact O-N 3.39Å; R37-A41 WeakPolarHBondContact O-CB 3.29Å; R37-A41 PolarHBondContact O-N 3.2Å
38T97.6Very high95.4Very high84 Ų8444.8 Ų44.852%0.51523%0.233SC..Hα-helixtrans-70.1-46.5-174.5-53.10000111.7N34 D35 L36 A41 R42N34-T38 WeakPolarHBondContact O-CB 3.35Å; N34-T38 PolarHBondContact O-N 2.93Å; N34-T38 PolarHBondContact O-OG1 3.36Å; D35-T38 PolarHBondContact O-N 3.37Å; L36-T38 PolarHBondContact O-N 2.9Å; T38-A41 PolarHBondContact O-N 3.04Å; T38-R42 WeakPolarHBondContact O-CB 3.48Å; T38-R42 PolarHBondContact O-N 3.28Å
39T98.1Very high95.3Very high27 Ų2743.8 Ų43.817%0.16622%0.222CC..Hα-helixtrans-66.2-39.1178.453.60000111.8D35 L36 R42 L43 A63 L67D35-T39 WeakPolarHBondContact O-CB 3.18Å; D35-T39 VanDerWaalsContact O-CG2 3.31Å; D35-T39 WeakPolarHBondContact O-CG2 3.47Å; D35-T39 PolarHBondContact O-N 3.36Å; D35-T39 PolarHBondContact O-OG1 2.79Å; L36-T39 PolarHBondContact O-OG1 3.19Å; T39-R42 PolarHBondContact O-N 3.23Å; T39-L43 PolarHBondContact O-N 2.91Å; T39-A63 HydrophobicContact CG2-CB 4.02Å; T39-L67 HydrophobicContact CG2-CD1 4.13Å
40R98.1Very high95.1Very high5 Ų547.1 Ų47.12%0.01924%0.243CC..Hα-helixtrans-60.6-48.5172.8-169-179.3-170.9-99.53.7112T13 A14 F18 L36 R42 L43 L44 Y64 E110 M114T13-R40 PolarHBondContact OG1-NH2 2.96Å; A14-R40 PolarHBondContact O-NH1 3.24Å; A14-R40 VanDerWaalsContact O-NH1 3.1Å; F18-R40 HydrophobicContact CE2-CB 4.31Å; L36-R40 WeakPolarHBondContact O-CB 3.46Å; L36-R40 PolarHBondContact O-N 3.5Å; R40-R42 VanDerWaalsContact C-N 3.3Å; R40-R42 PolarHBondContact O-N 3.44Å; R40-L43 PolarHBondContact O-N 3.05Å; R40-L44 HydrophobicContact CG-CD1 4.19Å; R40-L44 WeakPolarHBondContact O-CG 3.11Å; R40-L44 PolarHBondContact O-N 3.35Å; R40-Y64 HydrophobicContact CB-CD2 3.76Å; R40-Y64 HydrophobicContact CB-CE2 3.49Å; R40-Y64 VanDerWaalsContact CB-CE2 3.49Å; R40-Y64 HydrophobicContact CG-CD2 4.39Å; R40-Y64 HydrophobicContact CG-CE1 4.33Å; R40-Y64 HydrophobicContact CG-CE2 3.84Å; R40-E110 IonicContact CZ-OE1 2.73Å; R40-E110 VanDerWaalsContact CZ-OE1 3.24Å; R40-E110 IonicContact NE-OE1 2.72Å; R40-E110 PolarHBondContact NE-OE1 3.21Å; R40-E110 IonicContact NH2-OE1 2.67Å; R40-E110 PolarHBondContact NH2-OE1 3.08Å; R40-E110 IonicContact NH2-OE2 3.24Å; R40-E110 PolarHBondContact NH2-OE2 3Å; R40-E110 VanDerWaalsContact NH2-OE2 3.09Å; R40-M114 HydrophobicContact CG-CE 3.86Å
41A96.4Very high95Very high58 Ų5848.7 Ų48.748%0.47926%0.255SS..Hα-helixtrans-61.4-42178.800000111.3R37 T38 L44 E45R37-A41 WeakPolarHBondContact O-CB 3.29Å; R37-A41 PolarHBondContact O-N 3.2Å; T38-A41 PolarHBondContact O-N 3.04Å; A41-L44 PolarHBondContact O-N 3.16Å; A41-E45 PolarHBondContact O-N 2.86Å
42R96.8Very high95Very high116 Ų11644 Ų4444%0.43824%0.235SC..Hα-helixtrans-61.5-46.4176-178.657.4176.9175.51.8112T38 T39 R40 L44 E45 M46T38-R42 WeakPolarHBondContact O-CB 3.48Å; T38-R42 PolarHBondContact O-N 3.28Å; T39-R42 PolarHBondContact O-N 3.23Å; R40-R42 VanDerWaalsContact C-N 3.3Å; R40-R42 PolarHBondContact O-N 3.44Å; R42-L44 VanDerWaalsContact C-N 3.34Å; R42-L44 PolarHBondContact O-N 2.86Å; R42-E45 IonicContact CZ-OE2 2.79Å; R42-E45 IonicContact NH1-OE1 3.39Å; R42-E45 IonicContact NH1-OE2 3.97Å; R42-E45 PolarHBondContact NH1-OE2 3.23Å; R42-E45 WeakPolarHBondContact O-CB 2.77Å; R42-E45 PolarHBondContact O-N 3.32Å; R42-M46 VanDerWaalsContact NH1-CE 3.29Å; R42-M46 WeakPolarHBondContact O-CG 3.22Å; R42-M46 PolarHBondContact O-N 3.34Å
43L97.8Very high95Very high0 Ų046.9 Ų46.90%025%0.25CC..Hα-helixtrans-61.3-43.1177.617957000111.8T39 R40 E45 M46 F47 M57 A60 Y64 M114 V118T39-L43 PolarHBondContact O-N 2.91Å; R40-L43 PolarHBondContact O-N 3.05Å; L43-E45 VanDerWaalsContact C-N 3.3Å; L43-E45 PolarHBondContact O-N 3.02Å; L43-M46 WeakPolarHBondContact O-CB 3.48Å; L43-M46 PolarHBondContact O-N 3.38Å; L43-F47 HydrophobicContact CD1-CE1 4.28Å; L43-F47 HydrophobicContact CD1-CZ 4.11Å; L43-F47 HydrophobicContact CG-CE2 4.33Å; L43-F47 HydrophobicContact CG-CZ 3.98Å; L43-F47 PolarHBondContact O-N 3.2Å; L43-M57 HydrophobicContact CD1-SD 3.59Å; L43-M57 VanDerWaalsContact CD1-SD 3.59Å; L43-A60 HydrophobicContact CB-CB 4.46Å; L43-A60 HydrophobicContact CD1-CB 4.03Å; L43-Y64 HydrophobicContact CD2-CD1 3.76Å; L43-Y64 HydrophobicContact CD2-CG 4.28Å; L43-M114 HydrophobicContact CD2-CE 4.48Å; L43-M114 HydrophobicContact CD2-CG 3.6Å; L43-M114 HydrophobicContact CD2-SD 3.74Å; L43-M114 HydrophobicContact CG-SD 4.11Å; L43-V118 HydrophobicContact CD1-CG2 4.35Å
44L96.5Very high95Very high33 Ų3348.6 Ų48.617%0.17326%0.261CS..Hα-helixtrans-61.5-37.5176.8-73.4167.5000112.8T13 R40 A41 R42 M46 F47 W92 M114 M396T13-L44 HydrophobicContact CG2-CD1 3.76Å; T13-L44 HydrophobicContact CG2-CD2 3.62Å; T13-L44 HydrophobicContact CG2-CG 4.37Å; R40-L44 HydrophobicContact CG-CD1 4.19Å; R40-L44 WeakPolarHBondContact O-CG 3.11Å; R40-L44 PolarHBondContact O-N 3.35Å; A41-L44 PolarHBondContact O-N 3.16Å; R42-L44 VanDerWaalsContact C-N 3.34Å; R42-L44 PolarHBondContact O-N 2.86Å; L44-M46 VanDerWaalsContact C-N 3.35Å; L44-F47 HydrophobicContact CD2-CD2 4.09Å; L44-F47 HydrophobicContact CD2-CE2 3.97Å; L44-F47 PolarHBondContact O-N 2.87Å; L44-W92 HydrophobicContact CD2-CH2 4.04Å; L44-M114 HydrophobicContact CD1-CE 4.48Å; L44-M114 HydrophobicContact CD2-CE 3.96Å; L44-M114 HydrophobicContact CD2-SD 4.23Å; L44-M114 HydrophobicContact CG-CE 4.01Å; L44-M396 HydrophobicContact CD2-CE 3.91Å
45E94.8Very high95Very high102 Ų10251.5 Ų51.548%0.47727%0.272SS..Hα-helixtrans-62.8-41175.1-174.9-174.7-158.300111.7A41 R42 L43 F47 T48 D49A41-E45 PolarHBondContact O-N 2.86Å; R42-E45 IonicContact CZ-OE2 2.79Å; R42-E45 IonicContact NH1-OE1 3.39Å; R42-E45 IonicContact NH1-OE2 3.97Å; R42-E45 PolarHBondContact NH1-OE2 3.23Å; R42-E45 WeakPolarHBondContact O-CB 2.77Å; R42-E45 PolarHBondContact O-N 3.32Å; L43-E45 VanDerWaalsContact C-N 3.3Å; L43-E45 PolarHBondContact O-N 3.02Å; E45-F47 PolarHBondContact O-N 3.47Å; E45-T48 PolarHBondContact O-N 3.04Å; E45-T48 VanDerWaalsContact O-N 3.17Å; E45-T48 PolarHBondContact O-OG1 3.18Å; E45-D49 PolarHBondContact O-N 2.86Å; E45-D49 VanDerWaalsContact O-N 3.17Å
46M95.8Very high95Very high0 Ų052.3 Ų52.30%028%0.276CS..Hα-helixtrans-63-23.6-179.4-64.4-55.885.500113.8R42 L43 L44 T48 D49 I56 M57 A60 W121R42-M46 VanDerWaalsContact NH1-CE 3.29Å; R42-M46 WeakPolarHBondContact O-CG 3.22Å; R42-M46 PolarHBondContact O-N 3.34Å; L43-M46 WeakPolarHBondContact O-CB 3.48Å; L43-M46 PolarHBondContact O-N 3.38Å; L44-M46 VanDerWaalsContact C-N 3.35Å; M46-T48 VanDerWaalsContact C-N 3.26Å; M46-T48 PolarHBondContact O-N 3.24Å; M46-D49 HydrophobicContact CE-CB 4.01Å; M46-D49 WeakPolarHBondContact CE-OD2 3.41Å; M46-I56 HydrophobicContact CG-CG2 4.37Å; M46-I56 HydrophobicContact SD-CG2 3.49Å; M46-I56 WeakPolarHBondContact SD-CG2 3.22Å; M46-M57 HydrophobicContact CB-CE 3.74Å; M46-A60 HydrophobicContact CG-CB 4Å; M46-W121 PolarHBondContact O-NE1 2.88Å
47F94Very high95Very high8 Ų852.3 Ų52.34%0.03528%0.276CS..THydrogen-bonded Turntrans-65.7-30.1177.3-65.4-43000113.4L10 L43 L44 E45 M57 M114 N117 V118 W121 M396L10-F47 HydrophobicContact CD1-CB 4.1Å; L43-F47 HydrophobicContact CD1-CE1 4.28Å; L43-F47 HydrophobicContact CD1-CZ 4.11Å; L43-F47 HydrophobicContact CG-CE2 4.33Å; L43-F47 HydrophobicContact CG-CZ 3.98Å; L43-F47 PolarHBondContact O-N 3.2Å; L44-F47 HydrophobicContact CD2-CD2 4.09Å; L44-F47 HydrophobicContact CD2-CE2 3.97Å; L44-F47 PolarHBondContact O-N 2.87Å; E45-F47 PolarHBondContact O-N 3.47Å; F47-M57 HydrophobicContact CD1-CE 3.59Å; F47-M57 HydrophobicContact CD1-SD 4.41Å; F47-M57 HydrophobicContact CE1-CE 3.83Å; F47-M57 HydrophobicContact CE1-SD 4.03Å; F47-M114 HydrophobicContact CE2-SD 3.59Å; F47-M114 VanDerWaalsContact CE2-SD 3.59Å; F47-M114 HydrophobicContact CZ-SD 3.78Å; F47-N117 VanDerWaalsContact CD2-ND2 3.32Å; F47-N117 WeakPolarHBondContact CD2-ND2 3.33Å; F47-N117 HydrophobicContact CE1-CB 4.42Å; F47-N117 HydrophobicContact CE2-CB 4.05Å; F47-N117 VanDerWaalsContact CE2-ND2 3.34Å; F47-N117 WeakPolarHBondContact CE2-ND2 3.46Å; F47-N117 HydrophobicContact CZ-CB 3.9Å; F47-V118 HydrophobicContact CE1-CB 4.41Å; F47-V118 HydrophobicContact CE1-CG2 3.83Å; F47-V118 HydrophobicContact CZ-CG2 3.85Å; F47-W121 HydrophobicContact CD1-CB 3.83Å; F47-W121 HydrophobicContact CD1-CG 4.1Å; F47-W121 HydrophobicContact CE1-CB 4.24Å; F47-M396 HydrophobicContact CB-CE 4.38Å; F47-M396 HydrophobicContact CB-SD 3.53Å; F47-M396 VanDerWaalsContact CB-SD 3.53Å; F47-M396 HydrophobicContact CD2-CE 3.91Å; F47-M396 HydrophobicContact CD2-SD 4.06Å; F47-M396 HydrophobicContact CG-SD 4.21Å
48T89.2Confident95Very high43 Ų4352.2 Ų52.226%0.26428%0.279SS..THydrogen-bonded Turntrans-106.1-9.7-178.853.90000113.7E45 M46 T50 M396 K397E45-T48 PolarHBondContact O-N 3.04Å; E45-T48 VanDerWaalsContact O-N 3.17Å; E45-T48 PolarHBondContact O-OG1 3.18Å; M46-T48 VanDerWaalsContact C-N 3.26Å; M46-T48 PolarHBondContact O-N 3.24Å; T48-T50 PolarHBondContact O-N 3.24Å; T48-M396 HydrophobicContact CG2-CG 3.33Å; T48-M396 HydrophobicContact CG2-SD 3.96Å; T48-K397 VanDerWaalsContact CG2-O 3.26Å; T48-K397 WeakPolarHBondContact CG2-O 3.17Å
49D90.9Very high95.1Very high44 Ų4452.8 Ų52.824%0.23528%0.278CS..  trans-70.5117.2177.8-176.1-9.6000110.7E45 M46 T51 C52E45-D49 PolarHBondContact O-N 2.86Å; E45-D49 VanDerWaalsContact O-N 3.17Å; M46-D49 HydrophobicContact CE-CB 4.01Å; M46-D49 WeakPolarHBondContact CE-OD2 3.41Å; D49-T51 VanDerWaalsContact CG-OG1 3.29Å; D49-T51 PolarHBondContact O-N 3.33Å; D49-T51 WeakPolarHBondContact OD1-CA 3.4Å; D49-T51 WeakPolarHBondContact OD1-CB 3.36Å; D49-T51 PolarHBondContact OD1-N 3.16Å; D49-T51 PolarHBondContact OD1-OG1 3.01Å; D49-T51 PolarHBondContact OD2-OG1 3.47Å; D49-C52 HydrophobicContact CB-CB 4.14Å; D49-C52 VanDerWaalsContact O-CB 3.28Å; D49-C52 WeakPolarHBondContact O-CB 3.48Å; D49-C52 PolarHBondContact O-N 3.03Å
50T87.8Confident95Very high70 Ų7052 Ų5243%0.42928%0.275SS..THydrogen-bonded Turntrans-68.1-24.4-179.354.10000112.9T48 C52 R128 P399T48-T50 PolarHBondContact O-N 3.24Å; T50-C52 VanDerWaalsContact C-N 3.32Å; T50-R128 PolarHBondContact O-NH1 3.22Å; T50-R128 PolarHBondContact O-NH2 3.46Å; T50-P399 HydrophobicContact CG2-CB 3.39Å; T50-P399 HydrophobicContact CG2-CG 3.65Å
51T90.1Very high95Very high98 Ų9852.1 Ų52.160%0.60128%0.276SS*.THydrogen-bonded Turntrans-83.4-10.9178.473.30000112.8D49 N53D49-T51 VanDerWaalsContact CG-OG1 3.29Å; D49-T51 PolarHBondContact O-N 3.33Å; D49-T51 WeakPolarHBondContact OD1-CA 3.4Å; D49-T51 WeakPolarHBondContact OD1-CB 3.36Å; D49-T51 PolarHBondContact OD1-N 3.16Å; D49-T51 PolarHBondContact OD1-OG1 3.01Å; D49-T51 PolarHBondContact OD2-OG1 3.47Å; T51-N53 PolarHBondContact O-N 3Å
52C94Very high95.1Very high1 Ų151.3 Ų51.31%0.00726%0.264CS..  trans-61.6130.2178.5-166.50000110.9D49 T50 W121D49-C52 HydrophobicContact CB-CB 4.14Å; D49-C52 VanDerWaalsContact O-CB 3.28Å; D49-C52 WeakPolarHBondContact O-CB 3.48Å; D49-C52 PolarHBondContact O-N 3.03Å; T50-C52 VanDerWaalsContact C-N 3.32Å; C52-W121 HydrophobicContact CB-CZ2 3.92Å; C52-W121 VanDerWaalsContact SG-CZ2 3.59Å
53N94.8Very high95.1Very high60 Ų6047.7 Ų47.732%0.32126%0.259SS..  trans-119169.8175.572.432.2000109.7T51 E55 I56 M57T51-N53 PolarHBondContact O-N 3Å; N53-E55 PolarHBondContact O-N 3.29Å; N53-E55 VanDerWaalsContact O-N 3.15Å; N53-E55 WeakPolarHBondContact OD1-CB 3.46Å; N53-E55 PolarHBondContact OD1-N 3.27Å; N53-I56 PolarHBondContact O-N 3.06Å; N53-I56 WeakPolarHBondContact OD1-CG1 3.3Å; N53-I56 PolarHBondContact OD1-N 2.96Å; N53-M57 PolarHBondContact O-N 3.19Å
54P95.1Very high95.2Very high43 Ų4347.7 Ų47.728%0.27926%0.259SS..Hα-helixtrans-58.5-29.9-175-29.137.7000114.6K58 W121 F125P54-K58 VanDerWaalsContact O-CB 3.27Å; P54-K58 WeakPolarHBondContact O-CB 3.32Å; P54-K58 PolarHBondContact O-N 3.24Å; P54-W121 HydrophobicContact CG-CH2 4.47Å; P54-F125 HydrophobicContact CG-CD1 4.26Å; P54-F125 HydrophobicContact CG-CE1 3.68Å; P54-F125 HydrophobicContact CG-CZ 3.85Å
55E96.3Very high95.3Very high136 Ų13646.2 Ų46.264%0.63625%0.251SS*.Hα-helixtrans-72.8-46.6177.7-174.5-179.7-179.900111.5N53 M57 K58 N59N53-E55 PolarHBondContact O-N 3.29Å; N53-E55 VanDerWaalsContact O-N 3.15Å; N53-E55 WeakPolarHBondContact OD1-CB 3.46Å; N53-E55 PolarHBondContact OD1-N 3.27Å; E55-M57 VanDerWaalsContact C-N 3.32Å; E55-M57 PolarHBondContact O-N 3.02Å; E55-K58 PolarHBondContact O-N 3.46Å; E55-N59 VanDerWaalsContact O-CG 3.31Å; E55-N59 PolarHBondContact O-N 3.03Å; E55-N59 PolarHBondContact O-ND2 3.47Å
56I97.4Very high95.4Very high58 Ų5842.2 Ų42.230%0.29723%0.234SC..Hα-helixtrans-60.1-45.3175.1-64.1169.6000110.1M46 N53 N59 A60M46-I56 HydrophobicContact CG-CG2 4.37Å; M46-I56 HydrophobicContact SD-CG2 3.49Å; M46-I56 WeakPolarHBondContact SD-CG2 3.22Å; N53-I56 PolarHBondContact O-N 3.06Å; N53-I56 WeakPolarHBondContact OD1-CG1 3.3Å; N53-I56 PolarHBondContact OD1-N 2.96Å; I56-N59 PolarHBondContact O-N 3.23Å; I56-A60 PolarHBondContact O-N 2.72Å; I56-A60 VanDerWaalsContact O-N 3.07Å
57M97.6Very high95.4Very high0 Ų042.4 Ų42.40%024%0.235CC..Hα-helixtrans-60.5-46176.8-179.853.17000111.1L43 M46 F47 N53 E55 N59 A60 T61 V118 W121L43-M57 HydrophobicContact CD1-SD 3.59Å; L43-M57 VanDerWaalsContact CD1-SD 3.59Å; M46-M57 HydrophobicContact CB-CE 3.74Å; F47-M57 HydrophobicContact CD1-CE 3.59Å; F47-M57 HydrophobicContact CD1-SD 4.41Å; F47-M57 HydrophobicContact CE1-CE 3.83Å; F47-M57 HydrophobicContact CE1-SD 4.03Å; N53-M57 PolarHBondContact O-N 3.19Å; E55-M57 VanDerWaalsContact C-N 3.32Å; E55-M57 PolarHBondContact O-N 3.02Å; M57-N59 PolarHBondContact O-N 2.94Å; M57-A60 PolarHBondContact O-N 3.31Å; M57-T61 WeakPolarHBondContact O-CB 3.41Å; M57-T61 PolarHBondContact O-N 3.11Å; M57-T61 PolarHBondContact O-OG1 3.11Å; M57-V118 HydrophobicContact CG-CG1 4.29Å; M57-V118 HydrophobicContact SD-CG1 4.44Å; M57-V118 HydrophobicContact SD-CG2 4.45Å; M57-W121 HydrophobicContact CB-CD2 4.48Å; M57-W121 HydrophobicContact CB-CE3 4.03Å; M57-W121 HydrophobicContact CB-CH2 3.71Å; M57-W121 HydrophobicContact CB-CZ2 4.13Å; M57-W121 HydrophobicContact CB-CZ3 3.63Å; M57-W121 HydrophobicContact CE-CB 4.29Å; M57-W121 HydrophobicContact CE-CD2 3.46Å; M57-W121 VanDerWaalsContact CE-CD2 3.46Å; M57-W121 HydrophobicContact CE-CE3 4.04Å; M57-W121 HydrophobicContact CE-CG 3.55Å; M57-W121 HydrophobicContact CE-CZ2 4.23Å; M57-W121 HydrophobicContact CG-CD2 4.07Å; M57-W121 HydrophobicContact CG-CE3 3.61Å; M57-W121 HydrophobicContact CG-CH2 4.25Å; M57-W121 HydrophobicContact CG-CZ3 3.72Å; M57-W121 HydrophobicContact SD-CD2 4.5Å
58K96.9Very high95.6Very high111 Ų11142 Ų4248%0.48323%0.234SC..Hα-helixtrans-59.1-47.3177.2176.8168.3173.348.30111.7P54 E55 A60 T61 D62P54-K58 VanDerWaalsContact O-CB 3.27Å; P54-K58 WeakPolarHBondContact O-CB 3.32Å; P54-K58 PolarHBondContact O-N 3.24Å; E55-K58 PolarHBondContact O-N 3.46Å; K58-A60 PolarHBondContact O-N 2.91Å; K58-T61 WeakPolarHBondContact O-CB 3.43Å; K58-T61 PolarHBondContact O-N 3.49Å; K58-D62 WeakPolarHBondContact CE-OD2 3.43Å; K58-D62 WeakPolarHBondContact CG-OD2 3.45Å; K58-D62 IonicContact NZ-OD1 2.66Å; K58-D62 PolarHBondContact NZ-OD1 3.38Å; K58-D62 IonicContact NZ-OD2 3.72Å; K58-D62 PolarHBondContact NZ-OD2 3.46Å; K58-D62 WeakPolarHBondContact O-CB 3.42Å; K58-D62 VanDerWaalsContact O-CG 3.25Å; K58-D62 PolarHBondContact O-N 3.41Å
59N97.8Very high95.8Very high95 Ų9542 Ų4251%0.50823%0.23SC..Hα-helixtrans-62.4-42.6-179.3-69.1-21.4000112.2E55 I56 M57 A63E55-N59 VanDerWaalsContact O-CG 3.31Å; E55-N59 PolarHBondContact O-N 3.03Å; E55-N59 PolarHBondContact O-ND2 3.47Å; I56-N59 PolarHBondContact O-N 3.23Å; M57-N59 PolarHBondContact O-N 2.94Å; N59-A63 WeakPolarHBondContact O-CB 3.38Å; N59-A63 PolarHBondContact O-N 3.38Å
60A98Very high96Very high11 Ų1139.9 Ų39.99%0.09122%0.219CC..Hα-helixtrans-67.1-38.9176.100000112.3L43 M46 I56 M57 K58 Y64L43-A60 HydrophobicContact CB-CB 4.46Å; L43-A60 HydrophobicContact CD1-CB 4.03Å; M46-A60 HydrophobicContact CG-CB 4Å; I56-A60 PolarHBondContact O-N 2.72Å; I56-A60 VanDerWaalsContact O-N 3.07Å; M57-A60 PolarHBondContact O-N 3.31Å; K58-A60 PolarHBondContact O-N 2.91Å; A60-Y64 PolarHBondContact O-N 3.05Å
61T97.6Very high96.2Very high7 Ų736.6 Ų36.64%0.04320%0.199CC..Hα-helixtrans-62.4-49.8176.3-64.10000110.9M57 K58 A63 Y64 F65 V118M57-T61 WeakPolarHBondContact O-CB 3.41Å; M57-T61 PolarHBondContact O-N 3.11Å; M57-T61 PolarHBondContact O-OG1 3.11Å; K58-T61 WeakPolarHBondContact O-CB 3.43Å; K58-T61 PolarHBondContact O-N 3.49Å; T61-A63 PolarHBondContact O-N 2.96Å; T61-Y64 PolarHBondContact O-N 3.46Å; T61-F65 HydrophobicContact CG2-CD2 3.33Å; T61-F65 HydrophobicContact CG2-CE2 3.32Å; T61-F65 HydrophobicContact CG2-CZ 4.49Å; T61-F65 WeakPolarHBondContact O-CB 3.43Å; T61-F65 WeakPolarHBondContact O-CD2 3.26Å; T61-F65 PolarHBondContact O-N 2.85Å; T61-V118 HydrophobicContact CG2-CG1 4.46Å; T61-V118 HydrophobicContact CG2-CG2 4.3Å
62D97.9Very high96.4Very high42 Ų4232.2 Ų32.223%0.22517%0.172CC..Hα-helixtrans-64.4-42-178.3-70.8-9.2000111.2K58 Y64 S66 P359K58-D62 WeakPolarHBondContact CE-OD2 3.43Å; K58-D62 WeakPolarHBondContact CG-OD2 3.45Å; K58-D62 IonicContact NZ-OD1 2.66Å; K58-D62 PolarHBondContact NZ-OD1 3.38Å; K58-D62 IonicContact NZ-OD2 3.72Å; K58-D62 PolarHBondContact NZ-OD2 3.46Å; K58-D62 WeakPolarHBondContact O-CB 3.42Å; K58-D62 VanDerWaalsContact O-CG 3.25Å; K58-D62 PolarHBondContact O-N 3.41Å; D62-Y64 VanDerWaalsContact C-N 3.35Å; D62-Y64 PolarHBondContact O-N 2.96Å; D62-S66 WeakPolarHBondContact O-CB 3.45Å; D62-S66 PolarHBondContact O-N 3.44Å; D62-S66 PolarHBondContact O-OG 3.04Å; D62-P359 HydrophobicContact CB-CB 4.06Å; D62-P359 HydrophobicContact CB-CG 4.42Å
63A97.9Very high96.2Very high40 Ų4033.9 Ų33.933%0.33119%0.185SC..Hα-helixtrans-61.1-40.9177.600000112.6T39 N59 T61 S66T39-A63 HydrophobicContact CG2-CB 4.02Å; N59-A63 WeakPolarHBondContact O-CB 3.38Å; N59-A63 PolarHBondContact O-N 3.38Å; T61-A63 PolarHBondContact O-N 2.96Å; A63-S66 PolarHBondContact O-OG 3.42Å
64Y98.4Very high95.8Very high0 Ų032.9 Ų32.90%018%0.183CC..Hα-helixtrans-76.2-48.5178.9179-123.1000112.3F18 L36 R40 L43 A60 T61 D62 S66 L67 L68 E110 M114F18-Y64 HydrophobicContact CZ-CE2 4.46Å; L36-Y64 HydrophobicContact CD2-CD2 4.48Å; L36-Y64 HydrophobicContact CD2-CE2 4.11Å; R40-Y64 HydrophobicContact CB-CD2 3.76Å; R40-Y64 HydrophobicContact CB-CE2 3.49Å; R40-Y64 VanDerWaalsContact CB-CE2 3.49Å; R40-Y64 HydrophobicContact CG-CD2 4.39Å; R40-Y64 HydrophobicContact CG-CE1 4.33Å; R40-Y64 HydrophobicContact CG-CE2 3.84Å; L43-Y64 HydrophobicContact CD2-CD1 3.76Å; L43-Y64 HydrophobicContact CD2-CG 4.28Å; A60-Y64 PolarHBondContact O-N 3.05Å; T61-Y64 PolarHBondContact O-N 3.46Å; D62-Y64 VanDerWaalsContact C-N 3.35Å; D62-Y64 PolarHBondContact O-N 2.96Å; Y64-S66 PolarHBondContact O-N 2.87Å; Y64-L67 PolarHBondContact O-N 2.68Å; Y64-L68 HydrophobicContact CE1-CD2 3.91Å; Y64-L68 HydrophobicContact CE2-CB 4.41Å; Y64-L68 PolarHBondContact O-N 2.97Å; Y64-E110 VanDerWaalsContact OH-CG 3.23Å; Y64-E110 WeakPolarHBondContact OH-CG 3.42Å; Y64-E110 PolarHBondContact OH-OE1 3.25Å; Y64-M114 HydrophobicContact CD1-CE 4.42Å; Y64-M114 HydrophobicContact CD1-CG 4.05Å; Y64-M114 HydrophobicContact CE1-CB 4.34Å; Y64-M114 HydrophobicContact CE1-CE 3.92Å; Y64-M114 HydrophobicContact CE1-CG 3.9Å
65F98.1Very high95.1Very high1 Ų132.3 Ų32.30%0.00418%0.178CC..Hα-helixtrans-71.8-29.5-175.1-68.5-35.7000113.7T61 L67 L68 Q69 L111 M114 A115 V118 F358 P359T61-F65 HydrophobicContact CG2-CD2 3.33Å; T61-F65 HydrophobicContact CG2-CE2 3.32Å; T61-F65 HydrophobicContact CG2-CZ 4.49Å; T61-F65 WeakPolarHBondContact O-CB 3.43Å; T61-F65 WeakPolarHBondContact O-CD2 3.26Å; T61-F65 PolarHBondContact O-N 2.85Å; F65-L67 PolarHBondContact O-N 3.01Å; F65-L68 HydrophobicContact CD1-CD2 4.29Å; F65-Q69 WeakPolarHBondContact O-CB 3.06Å; F65-Q69 VanDerWaalsContact O-CG 3.22Å; F65-Q69 WeakPolarHBondContact O-CG 3.22Å; F65-Q69 PolarHBondContact O-N 3.27Å; F65-Q69 VanDerWaalsContact O-N 3.07Å; F65-Q69 PolarHBondContact O-NE2 3.25Å; F65-L111 HydrophobicContact CD1-CD1 3.52Å; F65-L111 HydrophobicContact CE1-CD1 3.88Å; F65-L111 HydrophobicContact CG-CD1 4.13Å; F65-M114 HydrophobicContact CE1-CB 3.87Å; F65-M114 HydrophobicContact CE1-CG 3.79Å; F65-M114 HydrophobicContact CZ-CB 3.99Å; F65-M114 HydrophobicContact CZ-CG 3.76Å; F65-A115 HydrophobicContact CE2-CB 4.1Å; F65-A115 HydrophobicContact CZ-CB 3.77Å; F65-V118 HydrophobicContact CE2-CG2 4.48Å; F65-F358 HydrophobicContact CB-CD1 4.08Å; F65-F358 HydrophobicContact CD1-CE1 4.31Å; F65-F358 AromaticContact CD2-CD1 3.63Å; F65-F358 HydrophobicContact CD2-CD1 3.63Å; F65-F358 AromaticContact CD2-CE1 3.64Å; F65-F358 HydrophobicContact CD2-CE1 3.64Å; F65-F358 HydrophobicContact CE1-CE1 4.36Å; F65-F358 HydrophobicContact CE2-CD1 4.15Å; F65-F358 AromaticContact CE2-CE1 3.68Å; F65-F358 HydrophobicContact CE2-CE1 3.68Å; F65-F358 AromaticContact CG-CD1 3.87Å; F65-F358 HydrophobicContact CG-CD1 3.87Å; F65-F358 AromaticContact CG-CE1 3.98Å; F65-F358 HydrophobicContact CG-CE1 3.98Å; F65-F358 HydrophobicContact CZ-CE1 4.08Å; F65-P359 HydrophobicContact CB-CG 3.67Å
66S97.4Very high94Very high18 Ų1831.2 Ų31.213%0.12618%0.176CC..Hα-helixtrans-62.1-30.817359.30000112.4D62 A63 Y64 V360 S362D62-S66 WeakPolarHBondContact O-CB 3.45Å; D62-S66 PolarHBondContact O-N 3.44Å; D62-S66 PolarHBondContact O-OG 3.04Å; A63-S66 PolarHBondContact O-OG 3.42Å; Y64-S66 PolarHBondContact O-N 2.87Å; S66-V360 WeakPolarHBondContact CB-O 3.13Å; S66-S362 PolarHBondContact O-N 2.79Å
67L96.9Very high92.5Very high5 Ų532.2 Ų32.23%0.02620%0.2CC..Hα-helixtrans-85.3-45.1175.3-67.5169.7000112.4D35 L36 T39 Y64 F65 Q69 G70D35-L67 HydrophobicContact CB-CD1 3.75Å; L36-L67 HydrophobicContact CD2-CB 3.57Å; L36-L67 HydrophobicContact CG-CB 4.03Å; T39-L67 HydrophobicContact CG2-CD1 4.13Å; Y64-L67 PolarHBondContact O-N 2.68Å; F65-L67 PolarHBondContact O-N 3.01Å; L67-Q69 PolarHBondContact O-N 3.46Å; L67-G70 PolarHBondContact O-N 3.04Å
68L97.1Very high91.3Very high0 Ų035.1 Ų35.10%022%0.219CC..Hα-helixtrans-61.1-34.9-178.2-179.464.3000111.7L36 Y64 F65 G70 F71 A107 E110 L111L36-L68 HydrophobicContact CD2-CB 4.36Å; Y64-L68 HydrophobicContact CE1-CD2 3.91Å; Y64-L68 HydrophobicContact CE2-CB 4.41Å; Y64-L68 PolarHBondContact O-N 2.97Å; F65-L68 HydrophobicContact CD1-CD2 4.29Å; L68-G70 PolarHBondContact O-N 3.42Å; L68-G70 VanDerWaalsContact O-N 3.16Å; L68-F71 WeakPolarHBondContact O-CB 3.34Å; L68-F71 PolarHBondContact O-N 3.49Å; L68-A107 HydrophobicContact CD1-CB 4.39Å; L68-E110 HydrophobicContact CD1-CG 4.35Å; L68-E110 HydrophobicContact CD2-CB 4.33Å; L68-E110 HydrophobicContact CD2-CG 3.8Å; L68-L111 HydrophobicContact CD2-CB 3.93Å; L68-L111 HydrophobicContact CD2-CD1 3.98Å
69Q94.6Very high90Very high41 Ų4137 Ų3719%0.19224%0.239CC..G310 helixtrans-59.1-25.3175.5-79.5177.29600113.3F65 L67 F71 I72 A73 P359 L361F65-Q69 WeakPolarHBondContact O-CB 3.06Å; F65-Q69 VanDerWaalsContact O-CG 3.22Å; F65-Q69 WeakPolarHBondContact O-CG 3.22Å; F65-Q69 PolarHBondContact O-N 3.27Å; F65-Q69 VanDerWaalsContact O-N 3.07Å; F65-Q69 PolarHBondContact O-NE2 3.25Å; L67-Q69 PolarHBondContact O-N 3.46Å; Q69-F71 PolarHBondContact O-N 2.98Å; Q69-I72 CarbonylContact O-C 3.56Å; Q69-I72 PolarHBondContact O-N 3.3Å; Q69-A73 WeakPolarHBondContact O-CB 3.27Å; Q69-A73 PolarHBondContact O-N 3.42Å; Q69-P359 PolarHBondContact NE2-O 3.27Å; Q69-L361 HydrophobicContact CB-CD1 3.97Å
70G93.9Very high89Confident0 Ų039.5 Ų39.50%025%0.248CC..G310 helixtrans-63.6-22173.400000113.1L67 L68 I72 N82 Y370L67-G70 PolarHBondContact O-N 3.04Å; L68-G70 PolarHBondContact O-N 3.42Å; L68-G70 VanDerWaalsContact O-N 3.16Å; G70-I72 PolarHBondContact O-N 3.46Å; G70-N82 VanDerWaalsContact O-CG 3.27Å; G70-N82 PolarHBondContact O-ND2 3.47Å; G70-Y370 VanDerWaalsContact C-CE1 3.49Å; G70-Y370 WeakPolarHBondContact CA-OH 3.25Å; G70-Y370 WeakPolarHBondContact O-CE1 3.44Å
71F93.4Very high88.3Confident1 Ų142.3 Ų42.30%0.00426%0.259CS..G310 helixtrans-80.4-5.9172.9-76.723.8000112.8F18 F20 L36 L68 Q69 N82 L84 R85 A107 Y370F18-F71 HydrophobicContact CD1-CE2 4.31Å; F18-F71 HydrophobicContact CE1-CE2 4.45Å; F20-F71 HydrophobicContact CE2-CE2 4.04Å; F20-F71 AromaticContact CE2-CZ 3.67Å; F20-F71 HydrophobicContact CE2-CZ 3.67Å; F20-F71 AromaticContact CZ-CE2 3.73Å; F20-F71 HydrophobicContact CZ-CE2 3.73Å; F20-F71 AromaticContact CZ-CZ 3.88Å; F20-F71 HydrophobicContact CZ-CZ 3.88Å; L36-F71 HydrophobicContact CD1-CD1 4.41Å; L36-F71 HydrophobicContact CD1-CE1 3.64Å; L36-F71 HydrophobicContact CD1-CE2 4.39Å; L36-F71 HydrophobicContact CD1-CZ 3.63Å; L68-F71 WeakPolarHBondContact O-CB 3.34Å; L68-F71 PolarHBondContact O-N 3.49Å; Q69-F71 PolarHBondContact O-N 2.98Å; F71-N82 WeakPolarHBondContact O-CB 3.48Å; F71-L84 HydrophobicContact CB-CB 4.28Å; F71-L84 HydrophobicContact CD1-CB 4.11Å; F71-L84 HydrophobicContact CD1-CD1 3.93Å; F71-L84 HydrophobicContact CD2-CB 4.34Å; F71-L84 HydrophobicContact CE1-CD1 3.84Å; F71-L84 HydrophobicContact CG-CB 4Å; F71-L84 HydrophobicContact CZ-CD1 4.47Å; F71-R85 WeakPolarHBondContact O-CA 3.42Å; F71-R85 WeakPolarHBondContact O-CB 3.4Å; F71-R85 PolarHBondContact O-N 3.25Å; F71-A107 HydrophobicContact CB-CB 3.88Å; F71-Y370 HydrophobicContact CD1-CE1 4.2Å
72I93.1Very high87.8Confident6 Ų642.9 Ų42.93%0.03126%0.262CS..THydrogen-bonded Turntrans-121.9-53.5-170.7-58.2167.7000110.3Q69 G70 E81 N82 A107 I108 L111Q69-I72 CarbonylContact O-C 3.56Å; Q69-I72 PolarHBondContact O-N 3.3Å; G70-I72 PolarHBondContact O-N 3.46Å; I72-E81 WeakPolarHBondContact O-CA 3.34Å; I72-N82 PolarHBondContact O-N 3.4Å; I72-A107 HydrophobicContact CD1-CB 4.26Å; I72-A107 HydrophobicContact CG1-CB 3.83Å; I72-I108 HydrophobicContact CD1-CG1 4.12Å; I72-I108 HydrophobicContact CG1-CG1 4.15Å; I72-I108 HydrophobicContact CG2-CD1 4.03Å; I72-I108 HydrophobicContact CG2-CG1 3.85Å; I72-L111 HydrophobicContact CD1-CB 4Å; I72-L111 HydrophobicContact CD1-CD2 3.83Å; I72-L111 HydrophobicContact CD1-CG 4.38Å
73A90Very high87.3Confident36 Ų3645.6 Ų45.630%0.29827%0.272SS..SBendtrans-66.3143.3-175.400000112Q69 L75 N82Q69-A73 WeakPolarHBondContact O-CB 3.27Å; Q69-A73 PolarHBondContact O-N 3.42Å; A73-L75 PolarHBondContact O-N 2.99Å; A73-N82 WeakPolarHBondContact O-CB 3.38Å; A73-N82 PolarHBondContact O-ND2 3.44Å
74S85.4Confident87Confident39 Ų3943.8 Ų43.827%0.27326%0.257SS..  trans-64.4131164.3174.20000109.1D76 G77 T78 Q80S74-D76 PolarHBondContact OG-OD1 3.19Å; S74-G77 PolarHBondContact OG-N 3.27Å; S74-T78 WeakPolarHBondContact CB-O 3.29Å; S74-T78 PolarHBondContact OG-N 3.43Å; S74-T78 VanDerWaalsContact OG-N 3.16Å; S74-T78 PolarHBondContact OG-O 3.45Å; S74-T78 PolarHBondContact OG-OG1 3.15Å; S74-Q80 VanDerWaalsContact CB-O 3.28Å; S74-Q80 WeakPolarHBondContact CB-O 3.44Å
75L82.1Confident86.8Confident31 Ų3144.3 Ų44.316%0.16226%0.259CS..SBendtrans-106.1-20.1175.2-56.3-179.6000111.4A73 G77 L361 P367 Y370A73-L75 PolarHBondContact O-N 2.99Å; L75-G77 VanDerWaalsContact C-N 3.32Å; L75-L361 HydrophobicContact CD2-CD2 3.27Å; L75-P367 HydrophobicContact CB-CG 4.32Å; L75-P367 VanDerWaalsContact O-CG 3.23Å; L75-P367 WeakPolarHBondContact O-CG 3.46Å; L75-Y370 HydrophobicContact CD1-CD1 3.62Å; L75-Y370 HydrophobicContact CD1-CD2 3.39Å; L75-Y370 HydrophobicContact CD1-CE1 4.04Å; L75-Y370 HydrophobicContact CD1-CE2 3.88Å; L75-Y370 HydrophobicContact CD1-CG 3.25Å
76D71.6Confident86.5Confident114 Ų11448.6 Ų48.661%0.6128%0.277SS*.SBendtrans-91.59-176.359.5-3.8000113.4S74 T78S74-D76 PolarHBondContact OG-OD1 3.19Å; D76-T78 PolarHBondContact O-N 3.33Å; D76-T78 WeakPolarHBondContact OD1-CB 3.47Å; D76-T78 WeakPolarHBondContact OD1-CG2 3.35Å; D76-T78 PolarHBondContact OD1-N 2.99Å; D76-T78 PolarHBondContact OD1-OG1 2.97Å
77G67.6Low86.2Confident78 Ų7850.1 Ų50.180%0.80428%0.283SS*.SBendtrans74.48.9-179.200000113.8S74 L75S74-G77 PolarHBondContact OG-N 3.27Å; L75-G77 VanDerWaalsContact C-N 3.32Å
78T70.8Confident85.9Confident62 Ų6251.8 Ų51.838%0.3829%0.291SS..SBendtrans-81168.6171.669.70000111S74 D76 Q80S74-T78 WeakPolarHBondContact CB-O 3.29Å; S74-T78 PolarHBondContact OG-N 3.43Å; S74-T78 VanDerWaalsContact OG-N 3.16Å; S74-T78 PolarHBondContact OG-O 3.45Å; S74-T78 PolarHBondContact OG-OG1 3.15Å; D76-T78 PolarHBondContact O-N 3.33Å; D76-T78 WeakPolarHBondContact OD1-CB 3.47Å; D76-T78 WeakPolarHBondContact OD1-CG2 3.35Å; D76-T78 PolarHBondContact OD1-N 2.99Å; D76-T78 PolarHBondContact OD1-OG1 2.97Å; T78-Q80 VanDerWaalsContact C-N 3.25Å; T78-Q80 PolarHBondContact OG1-N 3.43Å
79T71.6Confident85.8Confident149 Ų14955.5 Ų55.591%0.91431%0.311SS*.SBendtrans-87.12.3169.960.10000112.4
80Q75.4Confident85.9Confident148 Ų14853.6 Ų53.669%0.69230%0.302SS*.SBendtrans-86.6133.9-177.4-65.9-170.3-2.200110.2S74 T78S74-Q80 VanDerWaalsContact CB-O 3.28Å; S74-Q80 WeakPolarHBondContact CB-O 3.44Å; T78-Q80 VanDerWaalsContact C-N 3.25Å; T78-Q80 PolarHBondContact OG1-N 3.43Å
81E83.7Confident86Confident71 Ų7156.4 Ų56.433%0.33231%0.314SS..PPolyproline II helixtrans-65.2156.1176.4-66.1-179154.600111.6I72 K83 R85 R164I72-E81 WeakPolarHBondContact O-CA 3.34Å; E81-K83 PolarHBondContact O-N 2.92Å; E81-R85 IonicContact OE1-NH1 2.9Å; E81-R85 PolarHBondContact OE1-NH1 2.62Å; E81-R85 WeakPolarHBondContact OE2-CD 3.34Å; E81-R85 IonicContact OE2-CZ 3.96Å; E81-R85 IonicContact OE2-NE 2.96Å; E81-R85 IonicContact OE2-NH1 3.26Å; E81-R85 PolarHBondContact OE2-NH1 3Å; E81-R164 IonicContact OE1-CZ 3.45Å; E81-R164 IonicContact OE1-NE 3.57Å; E81-R164 PolarHBondContact OE1-NE 3.37Å; E81-R164 IonicContact OE1-NH2 2.98Å; E81-R164 PolarHBondContact OE1-NH2 3.5Å
82N87.1Confident86.1Confident18 Ų1856.4 Ų56.410%0.09631%0.314CS..PPolyproline II helixtrans-60.9138.4-173.9-158.4-68.2000112G70 F71 I72 A73 L84 R85G70-N82 VanDerWaalsContact O-CG 3.27Å; G70-N82 PolarHBondContact O-ND2 3.47Å; F71-N82 WeakPolarHBondContact O-CB 3.48Å; I72-N82 PolarHBondContact O-N 3.4Å; A73-N82 WeakPolarHBondContact O-CB 3.38Å; A73-N82 PolarHBondContact O-ND2 3.44Å; N82-L84 PolarHBondContact O-N 2.99Å; N82-L84 WeakPolarHBondContact OD1-CB 3.39Å; N82-L84 WeakPolarHBondContact OD1-CG 3.37Å; N82-L84 PolarHBondContact OD1-N 3.49Å; N82-R85 WeakPolarHBondContact O-CB 3.27Å; N82-R85 PolarHBondContact O-N 3.49Å
83K87.6Confident86.2Confident100 Ų10056.4 Ų56.444%0.43531%0.314SS..THydrogen-bonded Turntrans-54.4-20.5174.166.7-179.8172.1177.10113.7E81 Y370 F373 L375E81-K83 PolarHBondContact O-N 2.92Å; K83-Y370 WeakPolarHBondContact CE-O 3.48Å; K83-Y370 PolarHBondContact NZ-O 3.34Å; K83-F373 WeakPolarHBondContact CE-O 3.45Å; K83-F373 PolarHBondContact NZ-O 2.94Å; K83-L375 HydrophobicContact CB-CD1 3.97Å; K83-L375 HydrophobicContact CD-CD1 4.15Å; K83-L375 HydrophobicContact CD-CG 4.4Å; K83-L375 HydrophobicContact CG-CD1 4.13Å
84L91.4Very high86.5Confident2 Ų255.1 Ų55.11%0.0130%0.302CS..THydrogen-bonded Turntrans-82-6.7178.4-58.5-176000114.6F71 N82 F86 M87 Y370 F373 L375F71-L84 HydrophobicContact CB-CB 4.28Å; F71-L84 HydrophobicContact CD1-CB 4.11Å; F71-L84 HydrophobicContact CD1-CD1 3.93Å; F71-L84 HydrophobicContact CD2-CB 4.34Å; F71-L84 HydrophobicContact CE1-CD1 3.84Å; F71-L84 HydrophobicContact CG-CB 4Å; F71-L84 HydrophobicContact CZ-CD1 4.47Å; N82-L84 PolarHBondContact O-N 2.99Å; N82-L84 WeakPolarHBondContact OD1-CB 3.39Å; N82-L84 WeakPolarHBondContact OD1-CG 3.37Å; N82-L84 PolarHBondContact OD1-N 3.49Å; L84-F86 PolarHBondContact O-N 3.45Å; L84-F86 VanDerWaalsContact O-N 3.13Å; L84-M87 HydrophobicContact CB-CG 4.28Å; L84-M87 HydrophobicContact CD2-CG 3.78Å; L84-M87 WeakPolarHBondContact O-CB 3.31Å; L84-M87 PolarHBondContact O-N 2.93Å; L84-Y370 HydrophobicContact CD1-CD1 3.63Å; L84-Y370 HydrophobicContact CD1-CE1 3.59Å; L84-F373 HydrophobicContact CD1-CB 4.26Å; L84-F373 HydrophobicContact CD1-CD1 3.73Å; L84-F373 HydrophobicContact CD1-CD2 4.13Å; L84-F373 HydrophobicContact CD1-CE1 4.02Å; L84-F373 HydrophobicContact CD1-CE2 4.36Å; L84-F373 HydrophobicContact CD1-CG 3.78Å; L84-F373 HydrophobicContact CD1-CZ 4.31Å; L84-F373 HydrophobicContact CD2-CB 3.9Å; L84-F373 HydrophobicContact CD2-CD1 4.01Å; L84-F373 HydrophobicContact CD2-CG 4.15Å; L84-L375 HydrophobicContact CD2-CD2 3.81Å
85R93.6Very high86.9Confident11 Ų1153.3 Ų53.34%0.04229%0.289CS..THydrogen-bonded Turntrans-51.3-42.4-177.1177.5176171.1-175-1.2112.5F71 E81 N82 D106 A107 R164F71-R85 WeakPolarHBondContact O-CA 3.42Å; F71-R85 WeakPolarHBondContact O-CB 3.4Å; F71-R85 PolarHBondContact O-N 3.25Å; E81-R85 IonicContact OE1-NH1 2.9Å; E81-R85 PolarHBondContact OE1-NH1 2.62Å; E81-R85 WeakPolarHBondContact OE2-CD 3.34Å; E81-R85 IonicContact OE2-CZ 3.96Å; E81-R85 IonicContact OE2-NE 2.96Å; E81-R85 IonicContact OE2-NH1 3.26Å; E81-R85 PolarHBondContact OE2-NH1 3Å; N82-R85 WeakPolarHBondContact O-CB 3.27Å; N82-R85 PolarHBondContact O-N 3.49Å; R85-D106 WeakPolarHBondContact CG-OD1 3.43Å; R85-D106 IonicContact CZ-OD1 2.8Å; R85-D106 IonicContact CZ-OD2 3.08Å; R85-D106 IonicContact NE-OD1 3.77Å; R85-D106 PolarHBondContact NE-OD1 3.33Å; R85-D106 IonicContact NE-OD2 2.82Å; R85-D106 PolarHBondContact NE-OD2 2.9Å; R85-D106 IonicContact NH2-OD1 3.22Å; R85-D106 PolarHBondContact NH2-OD1 3.2Å; R85-D106 IonicContact NH2-OD2 2.7Å; R85-D106 PolarHBondContact NH2-OD2 3.48Å; R85-A107 WeakPolarHBondContact O-CB 3.29Å; R85-A107 PolarHBondContact O-N 3.35Å; R85-R164 PolarHBondContact NH1-O 2.94Å; R85-R164 PolarHBondContact NH2-O 3.32Å
86F92.8Very high87.4Confident91 Ų9152.1 Ų52.140%0.39928%0.283SS..THydrogen-bonded Turntrans-10122-175.1-49.8-72.5000112.9L84 Q105 D106 I166L84-F86 PolarHBondContact O-N 3.45Å; L84-F86 VanDerWaalsContact O-N 3.13Å; F86-Q105 WeakPolarHBondContact CA-O 3.41Å; F86-Q105 VanDerWaalsContact CD1-O 3.31Å; F86-Q105 WeakPolarHBondContact CD1-O 3.32Å; F86-Q105 VanDerWaalsContact O-CG 3.24Å; F86-Q105 WeakPolarHBondContact O-CG 3.43Å; F86-Q105 PolarHBondContact O-NE2 3Å; F86-D106 HydrophobicContact CD1-CB 4.44Å; F86-D106 HydrophobicContact CE1-CB 4.5Å; F86-I166 HydrophobicContact CE1-CD1 3.68Å; F86-I166 HydrophobicContact CZ-CD1 3.52Å
87M90.3Very high88.2Confident50 Ų5049.3 Ų49.325%0.24627%0.266CS..SBendtrans-82.8-25-175.7-80.2-63.9-67.800115.1F20 V23 L84 L375F20-M87 HydrophobicContact CD1-CE 4.15Å; F20-M87 HydrophobicContact CE1-CB 4.31Å; V23-M87 HydrophobicContact CG1-CE 4.01Å; V23-M87 HydrophobicContact CG2-CE 4.11Å; L84-M87 HydrophobicContact CB-CG 4.28Å; L84-M87 HydrophobicContact CD2-CG 3.78Å; L84-M87 WeakPolarHBondContact O-CB 3.31Å; L84-M87 PolarHBondContact O-N 2.93Å; M87-L375 HydrophobicContact CE-CD2 3.65Å; M87-L375 HydrophobicContact CG-CD2 3.87Å; M87-L375 HydrophobicContact SD-CD2 3.25Å; M87-L375 WeakPolarHBondContact SD-CD2 3.39Å; M87-L375 HydrophobicContact SD-CG 4.46Å
88Q92Very high89Confident39 Ų3947.4 Ų47.418%0.18225%0.247CC..SBendtrans-124.8132.6-173.3178.361.164.900110V16 F20 F90 Q105V16-Q88 HydrophobicContact CG1-CG 3.75Å; F20-Q88 HydrophobicContact CE1-CB 4.23Å; F20-Q88 HydrophobicContact CZ-CB 4.42Å; Q88-F90 HydrophobicContact CB-CD2 4.35Å; Q88-F90 HydrophobicContact CB-CE1 4.37Å; Q88-F90 HydrophobicContact CB-CE2 3.59Å; Q88-F90 HydrophobicContact CB-CZ 3.61Å; Q88-F90 HydrophobicContact CG-CD1 4.09Å; Q88-F90 HydrophobicContact CG-CD2 4.13Å; Q88-F90 HydrophobicContact CG-CE1 3.57Å; Q88-F90 HydrophobicContact CG-CE2 3.62Å; Q88-F90 HydrophobicContact CG-CG 4.36Å; Q88-F90 HydrophobicContact CG-CZ 3.32Å; Q88-F90 VanDerWaalsContact O-CD2 3.26Å; Q88-F90 WeakPolarHBondContact O-CD2 3.48Å; Q88-F90 WeakPolarHBondContact O-CE2 3.48Å; Q88-Q105 WeakPolarHBondContact O-CA 3.36Å
89N94.1Very high89.7Confident79 Ų7948.5 Ų48.542%0.42225%0.251SS..  trans-83.5127.5168.9-169.233.9000110.3Q104 Q105N89-Q104 PolarHBondContact OD1-O 3.16Å; N89-Q105 HydrophobicContact CB-CB 4.32Å; N89-Q105 HydrophobicContact CB-CG 4.48Å; N89-Q105 PolarHBondContact OD1-N 3.41Å
90F95.8Very high90.5Very high0 Ų045.4 Ų45.40%023%0.231CC..EExtended strand (participates in β ladder)trans-115.9141.5178.4-60.7-85.5000109.4V16 F18 Q88 A103 Q104 F109 E110V16-F90 HydrophobicContact CG1-CE1 4.2Å; V16-F90 HydrophobicContact CG2-CD1 3.93Å; V16-F90 HydrophobicContact CG2-CE1 4.16Å; F18-F90 HydrophobicContact CE1-CE1 4.16Å; F18-F90 HydrophobicContact CE1-CZ 4.12Å; F18-F90 HydrophobicContact CZ-CE1 4.03Å; F18-F90 HydrophobicContact CZ-CZ 4.42Å; Q88-F90 HydrophobicContact CB-CD2 4.35Å; Q88-F90 HydrophobicContact CB-CE1 4.37Å; Q88-F90 HydrophobicContact CB-CE2 3.59Å; Q88-F90 HydrophobicContact CB-CZ 3.61Å; Q88-F90 HydrophobicContact CG-CD1 4.09Å; Q88-F90 HydrophobicContact CG-CD2 4.13Å; Q88-F90 HydrophobicContact CG-CE1 3.57Å; Q88-F90 HydrophobicContact CG-CE2 3.62Å; Q88-F90 HydrophobicContact CG-CG 4.36Å; Q88-F90 HydrophobicContact CG-CZ 3.32Å; Q88-F90 VanDerWaalsContact O-CD2 3.26Å; Q88-F90 WeakPolarHBondContact O-CD2 3.48Å; Q88-F90 WeakPolarHBondContact O-CE2 3.48Å; F90-A103 CarbonylContact O-C 3.48Å; F90-A103 WeakPolarHBondContact O-CA 3.29Å; F90-Q104 PolarHBondContact N-O 3.11Å; F90-Q104 PolarHBondContact O-N 2.93Å; F90-F109 HydrophobicContact CB-CD1 4.09Å; F90-F109 HydrophobicContact CB-CE1 4.39Å; F90-E110 HydrophobicContact CB-CB 4.23Å; F90-E110 HydrophobicContact CD1-CB 3.69Å; F90-E110 VanDerWaalsContact CD1-CD 3.46Å; F90-E110 HydrophobicContact CD1-CG 3.65Å; F90-E110 WeakPolarHBondContact CD1-OE2 3.41Å; F90-E110 HydrophobicContact CD2-CB 3.67Å; F90-E110 HydrophobicContact CD2-CG 4.49Å; F90-E110 HydrophobicContact CE1-CB 3.82Å; F90-E110 HydrophobicContact CE1-CG 3.55Å; F90-E110 HydrophobicContact CE2-CB 3.79Å; F90-E110 HydrophobicContact CE2-CG 4.4Å; F90-E110 HydrophobicContact CG-CB 3.6Å; F90-E110 HydrophobicContact CG-CG 4.12Å; F90-E110 HydrophobicContact CZ-CB 3.85Å; F90-E110 HydrophobicContact CZ-CG 3.94Å
91K96.1Very high91.3Very high60 Ų6040.4 Ų40.426%0.26121%0.212SC..EExtended strand (participates in β ladder)trans-132.9122-175-174.8-170.2-70.5-178.30109.9T13 A14 P101 S102 A103 I393T13-K91 WeakPolarHBondContact CA-O 3.44Å; T13-K91 PolarHBondContact OG1-O 3.01Å; T13-K91 VanDerWaalsContact OG1-O 3.06Å; A14-K91 HydrophobicContact CB-CB 4.09Å; A14-K91 PolarHBondContact N-O 3.22Å; K91-P101 HydrophobicContact CD-CB 3.95Å; K91-P101 HydrophobicContact CD-CG 3.84Å; K91-P101 HydrophobicContact CG-CB 3.7Å; K91-P101 HydrophobicContact CG-CG 4.14Å; K91-S102 CarbonylContact C-O 3.55Å; K91-S102 VanDerWaalsContact CA-O 3.31Å; K91-S102 WeakPolarHBondContact CA-O 3.34Å; K91-A103 HydrophobicContact CB-CB 4.03Å; K91-A103 HydrophobicContact CG-CB 4.07Å; K91-I393 HydrophobicContact CB-CD1 4.09Å; K91-I393 HydrophobicContact CD-CD1 3.45Å; K91-I393 VanDerWaalsContact CD-CD1 3.45Å; K91-I393 HydrophobicContact CD-CG1 4.14Å; K91-I393 HydrophobicContact CG-CD1 3.48Å; K91-I393 VanDerWaalsContact CG-CD1 3.48Å
92W96.6Very high91.7Very high1 Ų138.2 Ų38.20%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-130.5144.8-175.3-76.492.2000112K11 A12 T13 L44 P101 S102 F109 E110 S113 M114 N117K11-W92 HydrophobicContact CB-CE3 3.67Å; K11-W92 HydrophobicContact CB-CZ3 3.92Å; A12-W92 CarbonylContact O-C 3.51Å; A12-W92 VanDerWaalsContact O-CA 3.31Å; A12-W92 WeakPolarHBondContact O-CA 3.49Å; T13-W92 HydrophobicContact CG2-CE3 4.34Å; T13-W92 HydrophobicContact CG2-CH2 3.69Å; T13-W92 HydrophobicContact CG2-CZ2 3.84Å; T13-W92 HydrophobicContact CG2-CZ3 3.95Å; L44-W92 HydrophobicContact CD2-CH2 4.04Å; W92-P101 CarbonylContact O-C 3.56Å; W92-P101 WeakPolarHBondContact O-CA 3.47Å; W92-P101 WeakPolarHBondContact O-CB 3.31Å; W92-S102 PolarHBondContact N-O 2.86Å; W92-S102 PolarHBondContact O-N 3.15Å; W92-F109 HydrophobicContact CB-CZ 4.35Å; W92-F109 AromaticContact CD1-CE1 3.83Å; W92-E110 PolarHBondContact NE1-OE2 3.35Å; W92-S113 VanDerWaalsContact CD1-CB 3.46Å; W92-M114 HydrophobicContact CH2-CB 4.47Å; W92-M114 HydrophobicContact CH2-CE 3.82Å; W92-M114 HydrophobicContact CH2-SD 3.75Å; W92-M114 HydrophobicContact CZ2-CB 4.13Å; W92-M114 HydrophobicContact CZ2-CE 3.72Å; W92-M114 HydrophobicContact CZ2-SD 4.09Å; W92-N117 HydrophobicContact CZ3-CB 4.48Å
93T95.6Very high92Very high5 Ų539.5 Ų39.53%0.03122%0.217CC..  trans-82.8166.8163.366.80000110.7K11 A12 P101 I393K11-T93 WeakPolarHBondContact CE-O 3.36Å; K11-T93 PolarHBondContact NZ-O 3.17Å; A12-T93 HydrophobicContact CB-CG2 4.29Å; A12-T93 PolarHBondContact N-OG1 2.89Å; A12-T93 PolarHBondContact O-N 3.37Å; A12-T93 PolarHBondContact O-OG1 2.91Å; T93-P101 HydrophobicContact CG2-CB 4.25Å; T93-I393 HydrophobicContact CG2-CB 4.1Å; T93-I393 HydrophobicContact CG2-CG2 3.86Å
94D94.8Very high92.3Very high9 Ų935.6 Ų35.65%0.04820%0.201CC..  trans-122.4151.3178.9-61.4-88.6000111.6K11 L96 Q97 R173 D174K11-D94 IonicContact NZ-OD1 3.36Å; K11-D94 PolarHBondContact NZ-OD1 3.49Å; D94-L96 PolarHBondContact O-N 3.19Å; D94-L96 VanDerWaalsContact O-N 3.1Å; D94-Q97 HydrophobicContact CB-CB 4.09Å; D94-Q97 HydrophobicContact CB-CG 4Å; D94-Q97 PolarHBondContact O-N 3.22Å; D94-Q97 VanDerWaalsContact O-N 3.1Å; D94-R173 VanDerWaalsContact CG-CD 3.48Å; D94-R173 WeakPolarHBondContact OD2-CD 3.31Å; D94-R173 IonicContact OD2-CZ 2.61Å; D94-R173 IonicContact OD2-NE 3.94Å; D94-R173 IonicContact OD2-NH1 3.65Å; D94-R173 PolarHBondContact OD2-NH1 2.84Å; D94-D174 WeakPolarHBondContact CA-OD2 3.35Å; D94-D174 WeakPolarHBondContact OD1-CB 3.2Å; D94-D174 PolarHBondContact OD1-N 3.22Å
95T94.4Very high92.5Very high1 Ų140.9 Ų40.91%0.00623%0.225CC..THydrogen-bonded Turntrans-59.8-27.8-171.366.80000114.1N8 P9 K11 Y116 I120 D174 Y183 P297N8-T95 HydrophobicContact CB-CG2 4.5Å; P9-T95 WeakPolarHBondContact O-CG2 3.49Å; K11-T95 HydrophobicContact CG-CG2 4.2Å; T95-Y116 HydrophobicContact CG2-CE1 4.46Å; T95-I120 HydrophobicContact CG2-CD1 3.4Å; T95-D174 WeakPolarHBondContact CB-OD1 3.47Å; T95-D174 WeakPolarHBondContact CG2-OD1 3.28Å; T95-D174 WeakPolarHBondContact CG2-OD2 3.48Å; T95-D174 PolarHBondContact N-OD1 2.91Å; T95-D174 PolarHBondContact N-OD2 3.05Å; T95-D174 PolarHBondContact OG1-OD1 3.47Å; T95-Y183 WeakPolarHBondContact CB-OH 3.16Å; T95-Y183 WeakPolarHBondContact CG2-OH 3.36Å; T95-Y183 PolarHBondContact OG1-OH 3.48Å; T95-P297 WeakPolarHBondContact O-CB 3.25Å
96L91.7Very high92.6Very high7 Ų740.6 Ų40.64%0.03723%0.225CC..THydrogen-bonded Turntrans-102.2-12.3179.7-56.4-174.8000114.4D94 V179 L230 C234 W238 P297D94-L96 PolarHBondContact O-N 3.19Å; D94-L96 VanDerWaalsContact O-N 3.1Å; L96-V179 HydrophobicContact CD1-CG1 4.41Å; L96-V179 HydrophobicContact CD1-CG2 4.04Å; L96-L230 HydrophobicContact CD1-CD1 4.4Å; L96-C234 HydrophobicContact CB-CB 4.17Å; L96-C234 WeakPolarHBondContact O-CB 3.38Å; L96-W238 HydrophobicContact CD1-CE3 4.04Å; L96-W238 HydrophobicContact CD1-CZ3 4.04Å; L96-W238 HydrophobicContact CD2-CE3 3.78Å; L96-W238 HydrophobicContact CD2-CZ3 4.25Å; L96-W238 HydrophobicContact CG-CE3 4.43Å; L96-P297 HydrophobicContact CD2-CG 4.13Å
97Q89.2Confident92.7Very high54 Ų5436.3 Ų36.325%0.25221%0.206SC..SBendtrans-101.19.7-171.3-60-61.5-30.300113.5D94 N99 T100 G172D94-Q97 HydrophobicContact CB-CB 4.09Å; D94-Q97 HydrophobicContact CB-CG 4Å; D94-Q97 PolarHBondContact O-N 3.22Å; D94-Q97 VanDerWaalsContact O-N 3.1Å; Q97-N99 PolarHBondContact O-N 2.9Å; Q97-T100 PolarHBondContact O-N 3.28Å; Q97-G172 PolarHBondContact NE2-O 2.98Å
98G84.9Confident93Very high38 Ų3833.9 Ų33.939%0.39219%0.194SC..THydrogen-bonded Turntrans58-123-178.800000111.6
99N84.8Confident93.3Very high86 Ų8632.5 Ų32.546%0.4619%0.187SC..THydrogen-bonded Turntrans-95.94.1-174.5-61.3-11.1000113.4Q97 P101 P395Q97-N99 PolarHBondContact O-N 2.9Å; N99-P101 WeakPolarHBondContact O-CD 2.96Å; N99-P395 WeakPolarHBondContact OD1-CG 3.38Å
100T88.2Confident93.4Very high83 Ų8328.7 Ų28.751%0.50917%0.167SC..  trans-81.2108-179.4-54.10000109.2Q97 R173Q97-T100 PolarHBondContact O-N 3.28Å; T100-R173 PolarHBondContact O-NH1 2.97Å
101P92.1Very high93.5Very high44 Ų4428.8 Ų28.829%0.28617%0.168SC..  trans-84.6164.6-176.835.9-32.3000112.4K91 W92 T93 N99 I393K91-P101 HydrophobicContact CD-CB 3.95Å; K91-P101 HydrophobicContact CD-CG 3.84Å; K91-P101 HydrophobicContact CG-CB 3.7Å; K91-P101 HydrophobicContact CG-CG 4.14Å; W92-P101 CarbonylContact O-C 3.56Å; W92-P101 WeakPolarHBondContact O-CA 3.47Å; W92-P101 WeakPolarHBondContact O-CB 3.31Å; T93-P101 HydrophobicContact CG2-CB 4.25Å; N99-P101 WeakPolarHBondContact O-CD 2.96Å; P101-I393 HydrophobicContact CB-CD1 3.77Å; P101-I393 HydrophobicContact CG-CD1 4.3Å
102S92.4Very high93.6Very high24 Ų2426 Ų2617%0.16816%0.155CC..EExtended strand (participates in β ladder)trans-119.8149.3164.2-175.10000109K91 W92K91-S102 CarbonylContact C-O 3.55Å; K91-S102 VanDerWaalsContact CA-O 3.31Å; K91-S102 WeakPolarHBondContact CA-O 3.34Å; W92-S102 PolarHBondContact N-O 2.86Å; W92-S102 PolarHBondContact O-N 3.15Å
103A93.8Very high93.7Very high45 Ų4525.9 Ų25.937%0.37216%0.155SC..EExtended strand (participates in β ladder)trans-129.7137.6179.600000111.5F90 K91F90-A103 CarbonylContact O-C 3.48Å; F90-A103 WeakPolarHBondContact O-CA 3.29Å; K91-A103 HydrophobicContact CB-CB 4.03Å; K91-A103 HydrophobicContact CG-CB 4.07Å
104Q93.9Very high93.8Very high18 Ų1825.7 Ų25.78%0.08415%0.153CC..EExtended strand (participates in β ladder)trans-137.3138.3170.1-56.1-167.43.200110.1N89 F90 D106 F109 T167N89-Q104 PolarHBondContact OD1-O 3.16Å; F90-Q104 PolarHBondContact N-O 3.11Å; F90-Q104 PolarHBondContact O-N 2.93Å; Q104-D106 HydrophobicContact CB-CB 4.41Å; Q104-D106 PolarHBondContact O-N 3.34Å; Q104-F109 HydrophobicContact CB-CB 3.91Å; Q104-F109 HydrophobicContact CB-CD1 3.7Å; Q104-F109 HydrophobicContact CB-CD2 4.15Å; Q104-F109 HydrophobicContact CB-CE1 4.22Å; Q104-F109 HydrophobicContact CB-CG 3.66Å; Q104-F109 HydrophobicContact CG-CB 4.46Å; Q104-F109 HydrophobicContact CG-CD1 4.16Å; Q104-F109 HydrophobicContact CG-CD2 3.85Å; Q104-F109 HydrophobicContact CG-CE1 4.35Å; Q104-F109 HydrophobicContact CG-CE2 4.06Å; Q104-F109 HydrophobicContact CG-CG 3.91Å; Q104-F109 HydrophobicContact CG-CZ 4.3Å; Q104-T167 PolarHBondContact NE2-O 3.46Å
105Q94.9Very high94Very high114 Ų11425.3 Ų25.353%0.53315%0.152SC..SBendtrans-84.465.1172.9-172.1174.1-17.100110.2F86 Q88 N89F86-Q105 WeakPolarHBondContact CA-O 3.41Å; F86-Q105 VanDerWaalsContact CD1-O 3.31Å; F86-Q105 WeakPolarHBondContact CD1-O 3.32Å; F86-Q105 VanDerWaalsContact O-CG 3.24Å; F86-Q105 WeakPolarHBondContact O-CG 3.43Å; F86-Q105 PolarHBondContact O-NE2 3Å; Q88-Q105 WeakPolarHBondContact O-CA 3.36Å; N89-Q105 HydrophobicContact CB-CB 4.32Å; N89-Q105 HydrophobicContact CB-CG 4.48Å; N89-Q105 PolarHBondContact OD1-N 3.41Å
106D95.4Very high94.2Very high5 Ų525.2 Ų25.23%0.02715%0.151CC..  trans-150.8122.7-174.4-172.5-11.1000110.8R85 F86 Q104 I108 F109 E110R85-D106 WeakPolarHBondContact CG-OD1 3.43Å; R85-D106 IonicContact CZ-OD1 2.8Å; R85-D106 IonicContact CZ-OD2 3.08Å; R85-D106 IonicContact NE-OD1 3.77Å; R85-D106 PolarHBondContact NE-OD1 3.33Å; R85-D106 IonicContact NE-OD2 2.82Å; R85-D106 PolarHBondContact NE-OD2 2.9Å; R85-D106 IonicContact NH2-OD1 3.22Å; R85-D106 PolarHBondContact NH2-OD1 3.2Å; R85-D106 IonicContact NH2-OD2 2.7Å; R85-D106 PolarHBondContact NH2-OD2 3.48Å; F86-D106 HydrophobicContact CD1-CB 4.44Å; F86-D106 HydrophobicContact CE1-CB 4.5Å; Q104-D106 HydrophobicContact CB-CB 4.41Å; Q104-D106 PolarHBondContact O-N 3.34Å; D106-I108 PolarHBondContact O-N 3.5Å; D106-I108 WeakPolarHBondContact OD1-CB 3.36Å; D106-I108 PolarHBondContact OD1-N 2.96Å; D106-F109 HydrophobicContact CB-CB 4.04Å; D106-F109 WeakPolarHBondContact O-CB 3.42Å; D106-F109 PolarHBondContact O-N 3.19Å; D106-F109 VanDerWaalsContact O-N 3.12Å; D106-E110 PolarHBondContact O-N 3.14Å
107A96.5Very high94.4Very high0 Ų024.9 Ų24.90%015%0.15CC..Hα-helixtrans-65.7-25.8176.400000113L68 F71 I72 R85 F109 E110 L111L68-A107 HydrophobicContact CD1-CB 4.39Å; F71-A107 HydrophobicContact CB-CB 3.88Å; I72-A107 HydrophobicContact CD1-CB 4.26Å; I72-A107 HydrophobicContact CG1-CB 3.83Å; R85-A107 WeakPolarHBondContact O-CB 3.29Å; R85-A107 PolarHBondContact O-N 3.35Å; A107-F109 VanDerWaalsContact C-N 3.34Å; A107-E110 PolarHBondContact O-N 3.04Å; A107-L111 WeakPolarHBondContact O-CB 3.49Å; A107-L111 PolarHBondContact O-N 3.25Å
108I96.5Very high94.9Very high0 Ų022.5 Ų22.50%014%0.138CC..Hα-helixtrans-67.1-38.7171.9-62-168.2000110.2I72 D106 E110 L111 I112 R164 L165I72-I108 HydrophobicContact CD1-CG1 4.12Å; I72-I108 HydrophobicContact CG1-CG1 4.15Å; I72-I108 HydrophobicContact CG2-CD1 4.03Å; I72-I108 HydrophobicContact CG2-CG1 3.85Å; D106-I108 PolarHBondContact O-N 3.5Å; D106-I108 WeakPolarHBondContact OD1-CB 3.36Å; D106-I108 PolarHBondContact OD1-N 2.96Å; I108-E110 VanDerWaalsContact C-N 3.35Å; I108-E110 PolarHBondContact O-N 2.83Å; I108-L111 WeakPolarHBondContact O-CB 3.32Å; I108-L111 PolarHBondContact O-N 3.32Å; I108-I112 HydrophobicContact CG2-CD1 3.61Å; I108-I112 HydrophobicContact CG2-CG1 4.15Å; I108-I112 VanDerWaalsContact O-CG1 3.22Å; I108-I112 WeakPolarHBondContact O-CG1 3.46Å; I108-I112 PolarHBondContact O-N 3.39Å; I108-R164 HydrophobicContact CD1-CB 3.89Å; I108-L165 HydrophobicContact CB-CD2 4.29Å; I108-L165 HydrophobicContact CG2-CD2 3.9Å; I108-L165 HydrophobicContact CG2-CG 4.47Å
109F97.1Very high95.5Very high9 Ų920.7 Ų20.74%0.03912%0.12CC..Hα-helixtrans-60.5-44.8174.6174-104.2000111.2F90 W92 Q104 D106 A107 I112 S113 L165 L175F90-F109 HydrophobicContact CB-CD1 4.09Å; F90-F109 HydrophobicContact CB-CE1 4.39Å; W92-F109 HydrophobicContact CB-CZ 4.35Å; W92-F109 AromaticContact CD1-CE1 3.83Å; Q104-F109 HydrophobicContact CB-CB 3.91Å; Q104-F109 HydrophobicContact CB-CD1 3.7Å; Q104-F109 HydrophobicContact CB-CD2 4.15Å; Q104-F109 HydrophobicContact CB-CE1 4.22Å; Q104-F109 HydrophobicContact CB-CG 3.66Å; Q104-F109 HydrophobicContact CG-CB 4.46Å; Q104-F109 HydrophobicContact CG-CD1 4.16Å; Q104-F109 HydrophobicContact CG-CD2 3.85Å; Q104-F109 HydrophobicContact CG-CE1 4.35Å; Q104-F109 HydrophobicContact CG-CE2 4.06Å; Q104-F109 HydrophobicContact CG-CG 3.91Å; Q104-F109 HydrophobicContact CG-CZ 4.3Å; D106-F109 HydrophobicContact CB-CB 4.04Å; D106-F109 WeakPolarHBondContact O-CB 3.42Å; D106-F109 PolarHBondContact O-N 3.19Å; D106-F109 VanDerWaalsContact O-N 3.12Å; A107-F109 VanDerWaalsContact C-N 3.34Å; F109-I112 PolarHBondContact O-N 2.91Å; F109-S113 VanDerWaalsContact O-CB 3.31Å; F109-S113 WeakPolarHBondContact O-CB 3.5Å; F109-S113 PolarHBondContact O-N 3.1Å; F109-S113 PolarHBondContact O-OG 2.92Å; F109-S113 VanDerWaalsContact O-OG 3.12Å; F109-L165 HydrophobicContact CB-CD2 3.99Å; F109-L175 HydrophobicContact CD2-CD1 3.69Å; F109-L175 HydrophobicContact CE2-CD1 3.74Å
110E97.6Very high96.1Very high0 Ų016.6 Ų16.60%010%0.098CC..Hα-helixtrans-59.6-47.2172.8176.763.2-172.400112.6R40 Y64 L68 F90 W92 D106 A107 I108 I112 S113 M114R40-E110 IonicContact CZ-OE1 2.73Å; R40-E110 VanDerWaalsContact CZ-OE1 3.24Å; R40-E110 IonicContact NE-OE1 2.72Å; R40-E110 PolarHBondContact NE-OE1 3.21Å; R40-E110 IonicContact NH2-OE1 2.67Å; R40-E110 PolarHBondContact NH2-OE1 3.08Å; R40-E110 IonicContact NH2-OE2 3.24Å; R40-E110 PolarHBondContact NH2-OE2 3Å; R40-E110 VanDerWaalsContact NH2-OE2 3.09Å; Y64-E110 VanDerWaalsContact OH-CG 3.23Å; Y64-E110 WeakPolarHBondContact OH-CG 3.42Å; Y64-E110 PolarHBondContact OH-OE1 3.25Å; L68-E110 HydrophobicContact CD1-CG 4.35Å; L68-E110 HydrophobicContact CD2-CB 4.33Å; L68-E110 HydrophobicContact CD2-CG 3.8Å; F90-E110 HydrophobicContact CB-CB 4.23Å; F90-E110 HydrophobicContact CD1-CB 3.69Å; F90-E110 VanDerWaalsContact CD1-CD 3.46Å; F90-E110 HydrophobicContact CD1-CG 3.65Å; F90-E110 WeakPolarHBondContact CD1-OE2 3.41Å; F90-E110 HydrophobicContact CD2-CB 3.67Å; F90-E110 HydrophobicContact CD2-CG 4.49Å; F90-E110 HydrophobicContact CE1-CB 3.82Å; F90-E110 HydrophobicContact CE1-CG 3.55Å; F90-E110 HydrophobicContact CE2-CB 3.79Å; F90-E110 HydrophobicContact CE2-CG 4.4Å; F90-E110 HydrophobicContact CG-CB 3.6Å; F90-E110 HydrophobicContact CG-CG 4.12Å; F90-E110 HydrophobicContact CZ-CB 3.85Å; F90-E110 HydrophobicContact CZ-CG 3.94Å; W92-E110 PolarHBondContact NE1-OE2 3.35Å; D106-E110 PolarHBondContact O-N 3.14Å; A107-E110 PolarHBondContact O-N 3.04Å; I108-E110 VanDerWaalsContact C-N 3.35Å; I108-E110 PolarHBondContact O-N 2.83Å; E110-I112 VanDerWaalsContact C-N 3.32Å; E110-I112 PolarHBondContact O-N 2.91Å; E110-S113 PolarHBondContact O-N 2.78Å; E110-M114 VanDerWaalsContact O-CB 3.26Å; E110-M114 WeakPolarHBondContact O-CB 3.43Å; E110-M114 PolarHBondContact O-N 3.31Å; E110-M114 WeakPolarHBondContact OE1-CE 3.35Å
111L97.9Very high96.6Very high2 Ų213.3 Ų13.31%0.018%0.076CC..Hα-helixtrans-55.9-49.9-179.9-178.573.9000110.5F65 L68 I72 A107 I108 A115 F358F65-L111 HydrophobicContact CD1-CD1 3.52Å; F65-L111 HydrophobicContact CE1-CD1 3.88Å; F65-L111 HydrophobicContact CG-CD1 4.13Å; L68-L111 HydrophobicContact CD2-CB 3.93Å; L68-L111 HydrophobicContact CD2-CD1 3.98Å; I72-L111 HydrophobicContact CD1-CB 4Å; I72-L111 HydrophobicContact CD1-CD2 3.83Å; I72-L111 HydrophobicContact CD1-CG 4.38Å; A107-L111 WeakPolarHBondContact O-CB 3.49Å; A107-L111 PolarHBondContact O-N 3.25Å; I108-L111 WeakPolarHBondContact O-CB 3.32Å; I108-L111 PolarHBondContact O-N 3.32Å; L111-A115 WeakPolarHBondContact O-CB 3.36Å; L111-A115 PolarHBondContact O-N 3.04Å; L111-F358 HydrophobicContact CD1-CD1 3.98Å; L111-F358 HydrophobicContact CD1-CE1 3.6Å; L111-F358 HydrophobicContact CD1-CZ 3.93Å; L111-F358 HydrophobicContact CD2-CE2 4.13Å; L111-F358 HydrophobicContact CD2-CZ 4.11Å; L111-F358 HydrophobicContact CG-CE1 4.01Å; L111-F358 HydrophobicContact CG-CE2 4.33Å; L111-F358 HydrophobicContact CG-CZ 3.79Å
112I97.6Very high96.9Very high0 Ų011.6 Ų11.60%07%0.065CC..Hα-helixtrans-67.6-49.3-179.4-59.4164.4000110.3I108 F109 E110 M114 A115 Y116 L157 H161 I162 L165 L175I108-I112 HydrophobicContact CG2-CD1 3.61Å; I108-I112 HydrophobicContact CG2-CG1 4.15Å; I108-I112 VanDerWaalsContact O-CG1 3.22Å; I108-I112 WeakPolarHBondContact O-CG1 3.46Å; I108-I112 PolarHBondContact O-N 3.39Å; F109-I112 PolarHBondContact O-N 2.91Å; E110-I112 VanDerWaalsContact C-N 3.32Å; E110-I112 PolarHBondContact O-N 2.91Å; I112-M114 VanDerWaalsContact C-N 3.35Å; I112-M114 PolarHBondContact O-N 2.95Å; I112-A115 PolarHBondContact O-N 3.48Å; I112-Y116 VanDerWaalsContact O-CB 3.24Å; I112-Y116 WeakPolarHBondContact O-CB 3.14Å; I112-Y116 PolarHBondContact O-N 2.71Å; I112-L157 HydrophobicContact CB-CD2 4.43Å; I112-L157 HydrophobicContact CG1-CD2 4.32Å; I112-L157 HydrophobicContact CG2-CB 4.36Å; I112-L157 HydrophobicContact CG2-CD1 4.19Å; I112-L157 HydrophobicContact CG2-CD2 4.22Å; I112-L157 HydrophobicContact CG2-CG 4.49Å; I112-H161 HydrophobicContact CD1-CB 3.79Å; I112-H161 HydrophobicContact CG1-CB 3.6Å; I112-I162 HydrophobicContact CD1-CG1 4.13Å; I112-I162 HydrophobicContact CG2-CG1 4.03Å; I112-L165 HydrophobicContact CD1-CD1 3.87Å; I112-L165 HydrophobicContact CD1-CD2 4.01Å; I112-L165 HydrophobicContact CD1-CG 3.85Å; I112-L175 HydrophobicContact CB-CD2 4.48Å; I112-L175 HydrophobicContact CG2-CD1 4.15Å; I112-L175 HydrophobicContact CG2-CD2 3.42Å; I112-L175 VanDerWaalsContact CG2-CD2 3.42Å; I112-L175 HydrophobicContact CG2-CG 4.37Å
113S97.9Very high97.1Very high0 Ų010.6 Ų10.60%06%0.057CC..Hα-helixtrans-61.5-40.8-177.7-69.30000112.7W92 F109 E110 Y116 N117W92-S113 VanDerWaalsContact CD1-CB 3.46Å; F109-S113 VanDerWaalsContact O-CB 3.31Å; F109-S113 WeakPolarHBondContact O-CB 3.5Å; F109-S113 PolarHBondContact O-N 3.1Å; F109-S113 PolarHBondContact O-OG 2.92Å; F109-S113 VanDerWaalsContact O-OG 3.12Å; E110-S113 PolarHBondContact O-N 2.78Å; S113-Y116 WeakPolarHBondContact O-CB 3.35Å; S113-N117 PolarHBondContact O-N 3.37Å
114M98.4Very high97.2Very high0 Ų09 Ų90%04%0.042CC..Hα-helixtrans-68.6-45.9176.3-174.767.178.600111.4R40 L43 L44 F47 Y64 F65 W92 E110 I112 Y116 N117 V118R40-M114 HydrophobicContact CG-CE 3.86Å; L43-M114 HydrophobicContact CD2-CE 4.48Å; L43-M114 HydrophobicContact CD2-CG 3.6Å; L43-M114 HydrophobicContact CD2-SD 3.74Å; L43-M114 HydrophobicContact CG-SD 4.11Å; L44-M114 HydrophobicContact CD1-CE 4.48Å; L44-M114 HydrophobicContact CD2-CE 3.96Å; L44-M114 HydrophobicContact CD2-SD 4.23Å; L44-M114 HydrophobicContact CG-CE 4.01Å; F47-M114 HydrophobicContact CE2-SD 3.59Å; F47-M114 VanDerWaalsContact CE2-SD 3.59Å; F47-M114 HydrophobicContact CZ-SD 3.78Å; Y64-M114 HydrophobicContact CD1-CE 4.42Å; Y64-M114 HydrophobicContact CD1-CG 4.05Å; Y64-M114 HydrophobicContact CE1-CB 4.34Å; Y64-M114 HydrophobicContact CE1-CE 3.92Å; Y64-M114 HydrophobicContact CE1-CG 3.9Å; F65-M114 HydrophobicContact CE1-CB 3.87Å; F65-M114 HydrophobicContact CE1-CG 3.79Å; F65-M114 HydrophobicContact CZ-CB 3.99Å; F65-M114 HydrophobicContact CZ-CG 3.76Å; W92-M114 HydrophobicContact CH2-CB 4.47Å; W92-M114 HydrophobicContact CH2-CE 3.82Å; W92-M114 HydrophobicContact CH2-SD 3.75Å; W92-M114 HydrophobicContact CZ2-CB 4.13Å; W92-M114 HydrophobicContact CZ2-CE 3.72Å; W92-M114 HydrophobicContact CZ2-SD 4.09Å; E110-M114 VanDerWaalsContact O-CB 3.26Å; E110-M114 WeakPolarHBondContact O-CB 3.43Å; E110-M114 PolarHBondContact O-N 3.31Å; E110-M114 WeakPolarHBondContact OE1-CE 3.35Å; I112-M114 VanDerWaalsContact C-N 3.35Å; I112-M114 PolarHBondContact O-N 2.95Å; M114-Y116 VanDerWaalsContact C-N 3.28Å; M114-Y116 PolarHBondContact O-N 2.88Å; M114-N117 WeakPolarHBondContact O-CA 3.42Å; M114-N117 WeakPolarHBondContact O-CB 2.95Å; M114-N117 PolarHBondContact O-N 3.45Å; M114-V118 PolarHBondContact O-N 3.25Å
115A98.4Very high97.2Very high1 Ų18.9 Ų8.91%0.0084%0.041CC..Hα-helixtrans-64.5-35.1178.900000111.9F65 L111 I112 N117 V118 A119 I153 L157 F358F65-A115 HydrophobicContact CE2-CB 4.1Å; F65-A115 HydrophobicContact CZ-CB 3.77Å; L111-A115 WeakPolarHBondContact O-CB 3.36Å; L111-A115 PolarHBondContact O-N 3.04Å; I112-A115 PolarHBondContact O-N 3.48Å; A115-N117 VanDerWaalsContact C-N 3.27Å; A115-N117 PolarHBondContact O-N 3.41Å; A115-V118 WeakPolarHBondContact O-CB 3.48Å; A115-V118 PolarHBondContact O-N 2.89Å; A115-A119 PolarHBondContact O-N 3.38Å; A115-I153 HydrophobicContact CB-CG2 4.35Å; A115-L157 HydrophobicContact CB-CD1 3.88Å; A115-L157 HydrophobicContact CB-CD2 3.85Å; A115-L157 HydrophobicContact CB-CG 4.36Å; A115-F358 HydrophobicContact CB-CE1 3.93Å; A115-F358 HydrophobicContact CB-CZ 3.81Å
116Y98.3Very high97.2Very high0 Ų03.5 Ų3.50%02%0.016CC..Hα-helixtrans-58.1-42.8170.9-157.9-72.8000110.6K11 T95 I112 S113 M114 A119 I120 F154 L157 D174 L175 I180 Y183K11-Y116 HydrophobicContact CD-CD1 3.89Å; K11-Y116 HydrophobicContact CD-CG 4.34Å; T95-Y116 HydrophobicContact CG2-CE1 4.46Å; I112-Y116 VanDerWaalsContact O-CB 3.24Å; I112-Y116 WeakPolarHBondContact O-CB 3.14Å; I112-Y116 PolarHBondContact O-N 2.71Å; S113-Y116 WeakPolarHBondContact O-CB 3.35Å; M114-Y116 VanDerWaalsContact C-N 3.28Å; M114-Y116 PolarHBondContact O-N 2.88Å; Y116-A119 WeakPolarHBondContact O-CB 3.25Å; Y116-A119 PolarHBondContact O-N 3.01Å; Y116-I120 HydrophobicContact CD1-CD1 3.59Å; Y116-I120 HydrophobicContact CD1-CG1 3.94Å; Y116-I120 HydrophobicContact CE1-CD1 3.77Å; Y116-I120 HydrophobicContact CE1-CG1 4.02Å; Y116-I120 WeakPolarHBondContact O-CG1 3.07Å; Y116-I120 PolarHBondContact O-N 2.94Å; Y116-F154 AromaticContact CD1-CE1 3.61Å; Y116-F154 HydrophobicContact CD1-CE1 3.61Å; Y116-F154 HydrophobicContact CD1-CZ 4.42Å; Y116-F154 AromaticContact CD2-CD1 3.96Å; Y116-F154 HydrophobicContact CD2-CD1 3.96Å; Y116-F154 AromaticContact CD2-CE1 3.84Å; Y116-F154 HydrophobicContact CD2-CE1 3.84Å; Y116-F154 HydrophobicContact CE1-CD1 4.38Å; Y116-F154 AromaticContact CE1-CE1 3.48Å; Y116-F154 HydrophobicContact CE1-CE1 3.48Å; Y116-F154 VanDerWaalsContact CE1-CE1 3.48Å; Y116-F154 HydrophobicContact CE1-CZ 4.14Å; Y116-F154 AromaticContact CE2-CD1 3.81Å; Y116-F154 HydrophobicContact CE2-CD1 3.81Å; Y116-F154 AromaticContact CE2-CE1 3.73Å; Y116-F154 HydrophobicContact CE2-CE1 3.73Å; Y116-F154 HydrophobicContact CG-CD1 4.31Å; Y116-F154 AromaticContact CG-CE1 3.78Å; Y116-F154 HydrophobicContact CG-CE1 3.78Å; Y116-F154 AromaticContact CZ-CE1 3.53Å; Y116-L157 HydrophobicContact CD2-CD1 4.45Å; Y116-D174 HydrophobicContact CD1-CB 4.33Å; Y116-D174 HydrophobicContact CD2-CB 4.38Å; Y116-D174 HydrophobicContact CE1-CB 3.88Å; Y116-D174 HydrophobicContact CE2-CB 3.91Å; Y116-D174 WeakPolarHBondContact CE2-O 3.43Å; Y116-L175 HydrophobicContact CD2-CD2 3.94Å; Y116-L175 HydrophobicContact CE2-CD2 4.48Å; Y116-I180 HydrophobicContact CD2-CD1 4.23Å; Y116-I180 HydrophobicContact CE2-CB 4.15Å; Y116-I180 HydrophobicContact CE2-CD1 3.89Å; Y116-I180 HydrophobicContact CE2-CG1 3.88Å; Y116-Y183 HydrophobicContact CE1-CD2 4.33Å; Y116-Y183 HydrophobicContact CE1-CE2 4.2Å; Y116-Y183 AromaticContact CZ-CD2 3.9Å; Y116-Y183 WeakPolarHBondContact OH-CD2 3.48Å; Y116-Y183 WeakPolarHBondContact OH-CE2 3.46Å
117N97.6Very high97.1Very high0 Ų03.2 Ų3.20%02%0.015CC..Hα-helixtrans-68.8-34.5177.4-142.235000112.6L10 K11 F47 W92 S113 M114 A115 A119 I120 W121L10-N117 VanDerWaalsContact CD2-OD1 3.29Å; L10-N117 WeakPolarHBondContact CD2-OD1 3.45Å; K11-N117 PolarHBondContact N-OD1 3.16Å; K11-N117 PolarHBondContact O-ND2 3.34Å; K11-N117 VanDerWaalsContact O-ND2 3.13Å; F47-N117 VanDerWaalsContact CD2-ND2 3.32Å; F47-N117 WeakPolarHBondContact CD2-ND2 3.33Å; F47-N117 HydrophobicContact CE1-CB 4.42Å; F47-N117 HydrophobicContact CE2-CB 4.05Å; F47-N117 VanDerWaalsContact CE2-ND2 3.34Å; F47-N117 WeakPolarHBondContact CE2-ND2 3.46Å; F47-N117 HydrophobicContact CZ-CB 3.9Å; W92-N117 HydrophobicContact CZ3-CB 4.48Å; S113-N117 PolarHBondContact O-N 3.37Å; M114-N117 WeakPolarHBondContact O-CA 3.42Å; M114-N117 WeakPolarHBondContact O-CB 2.95Å; M114-N117 PolarHBondContact O-N 3.45Å; A115-N117 VanDerWaalsContact C-N 3.27Å; A115-N117 PolarHBondContact O-N 3.41Å; N117-A119 VanDerWaalsContact C-N 3.34Å; N117-I120 PolarHBondContact O-N 2.92Å; N117-W121 WeakPolarHBondContact O-CB 3.43Å; N117-W121 PolarHBondContact O-N 3.31Å
118V98.4Very high96.7Very high3 Ų35.9 Ų5.92%0.0183%0.025CC..Hα-helixtrans-60.2-44.6169.8176.40000110.8L43 F47 M57 T61 F65 M114 A115 W121 H122 I153L43-V118 HydrophobicContact CD1-CG2 4.35Å; F47-V118 HydrophobicContact CE1-CB 4.41Å; F47-V118 HydrophobicContact CE1-CG2 3.83Å; F47-V118 HydrophobicContact CZ-CG2 3.85Å; M57-V118 HydrophobicContact CG-CG1 4.29Å; M57-V118 HydrophobicContact SD-CG1 4.44Å; M57-V118 HydrophobicContact SD-CG2 4.45Å; T61-V118 HydrophobicContact CG2-CG1 4.46Å; T61-V118 HydrophobicContact CG2-CG2 4.3Å; F65-V118 HydrophobicContact CE2-CG2 4.48Å; M114-V118 PolarHBondContact O-N 3.25Å; A115-V118 WeakPolarHBondContact O-CB 3.48Å; A115-V118 PolarHBondContact O-N 2.89Å; V118-W121 WeakPolarHBondContact O-CB 3.26Å; V118-W121 PolarHBondContact O-N 3.33Å; V118-H122 PolarHBondContact O-CD2 3.35Å; V118-H122 VanDerWaalsContact O-CD2 3.3Å; V118-H122 PolarHBondContact O-N 3.34Å; V118-I153 HydrophobicContact CG1-CD1 4.11Å
119A98.4Very high96.5Very high0 Ų06.5 Ų6.50%03%0.028CC..Hα-helixtrans-62.4-45.8175.300000111.9A115 Y116 N117 W121 H122 T123 A150 I153 F154A115-A119 PolarHBondContact O-N 3.38Å; Y116-A119 WeakPolarHBondContact O-CB 3.25Å; Y116-A119 PolarHBondContact O-N 3.01Å; N117-A119 VanDerWaalsContact C-N 3.34Å; A119-W121 VanDerWaalsContact C-N 3.29Å; A119-W121 PolarHBondContact O-N 3.39Å; A119-H122 PolarHBondContact O-N 3.3Å; A119-H122 VanDerWaalsContact O-N 3.16Å; A119-T123 WeakPolarHBondContact O-CG2 2.79Å; A119-T123 PolarHBondContact O-N 3.4Å; A119-T123 VanDerWaalsContact O-N 3.1Å; A119-A150 HydrophobicContact CB-CB 4.36Å; A119-A150 WeakPolarHBondContact O-CB 3.38Å; A119-I153 HydrophobicContact CB-CB 3.89Å; A119-I153 HydrophobicContact CB-CD1 4.16Å; A119-I153 HydrophobicContact CB-CG2 3.84Å; A119-F154 HydrophobicContact CB-CD1 3.93Å; A119-F154 HydrophobicContact CB-CD2 4.06Å; A119-F154 HydrophobicContact CB-CE1 3.49Å; A119-F154 VanDerWaalsContact CB-CE1 3.49Å; A119-F154 HydrophobicContact CB-CE2 3.65Å; A119-F154 HydrophobicContact CB-CG 4.18Å; A119-F154 HydrophobicContact CB-CZ 3.35Å
120I97.4Very high96.1Very high1 Ų16.1 Ų6.11%0.0053%0.026CC..Hα-helixtrans-57.5-43.9174.5-65.1167.1000110.5L10 K11 T95 Y116 N117 H122 T123 K124 F154L10-I120 HydrophobicContact CD2-CB 4.01Å; L10-I120 HydrophobicContact CD2-CG2 3.59Å; L10-I120 HydrophobicContact CG-CG2 4.25Å; K11-I120 HydrophobicContact CD-CD1 4.33Å; K11-I120 HydrophobicContact CG-CD1 4.1Å; T95-I120 HydrophobicContact CG2-CD1 3.4Å; Y116-I120 HydrophobicContact CD1-CD1 3.59Å; Y116-I120 HydrophobicContact CD1-CG1 3.94Å; Y116-I120 HydrophobicContact CE1-CD1 3.77Å; Y116-I120 HydrophobicContact CE1-CG1 4.02Å; Y116-I120 WeakPolarHBondContact O-CG1 3.07Å; Y116-I120 PolarHBondContact O-N 2.94Å; N117-I120 PolarHBondContact O-N 2.92Å; I120-H122 VanDerWaalsContact C-N 3.32Å; I120-H122 PolarHBondContact O-N 3.46Å; I120-T123 PolarHBondContact O-N 3.04Å; I120-T123 PolarHBondContact O-OG1 3.49Å; I120-K124 HydrophobicContact CG2-CD 4.05Å; I120-K124 HydrophobicContact CG2-CG 4.36Å; I120-K124 PolarHBondContact O-N 2.94Å; I120-F154 HydrophobicContact CG1-CZ 4.21Å
121W97.6Very high95.5Very high13 Ų136.4 Ų6.45%0.0493%0.03CC..Hα-helixtrans-57.8-44.4177.6177.191.8000111.7M46 F47 C52 P54 M57 N117 V118 A119 T123 K124 F125M46-W121 PolarHBondContact O-NE1 2.88Å; F47-W121 HydrophobicContact CD1-CB 3.83Å; F47-W121 HydrophobicContact CD1-CG 4.1Å; F47-W121 HydrophobicContact CE1-CB 4.24Å; C52-W121 HydrophobicContact CB-CZ2 3.92Å; C52-W121 VanDerWaalsContact SG-CZ2 3.59Å; P54-W121 HydrophobicContact CG-CH2 4.47Å; M57-W121 HydrophobicContact CB-CD2 4.48Å; M57-W121 HydrophobicContact CB-CE3 4.03Å; M57-W121 HydrophobicContact CB-CH2 3.71Å; M57-W121 HydrophobicContact CB-CZ2 4.13Å; M57-W121 HydrophobicContact CB-CZ3 3.63Å; M57-W121 HydrophobicContact CE-CB 4.29Å; M57-W121 HydrophobicContact CE-CD2 3.46Å; M57-W121 VanDerWaalsContact CE-CD2 3.46Å; M57-W121 HydrophobicContact CE-CE3 4.04Å; M57-W121 HydrophobicContact CE-CG 3.55Å; M57-W121 HydrophobicContact CE-CZ2 4.23Å; M57-W121 HydrophobicContact CG-CD2 4.07Å; M57-W121 HydrophobicContact CG-CE3 3.61Å; M57-W121 HydrophobicContact CG-CH2 4.25Å; M57-W121 HydrophobicContact CG-CZ3 3.72Å; M57-W121 HydrophobicContact SD-CD2 4.5Å; N117-W121 WeakPolarHBondContact O-CB 3.43Å; N117-W121 PolarHBondContact O-N 3.31Å; V118-W121 WeakPolarHBondContact O-CB 3.26Å; V118-W121 PolarHBondContact O-N 3.33Å; A119-W121 VanDerWaalsContact C-N 3.29Å; A119-W121 PolarHBondContact O-N 3.39Å; W121-T123 VanDerWaalsContact C-N 3.3Å; W121-T123 PolarHBondContact O-N 2.91Å; W121-K124 PolarHBondContact O-N 3.11Å; W121-K124 VanDerWaalsContact O-N 3.13Å; W121-F125 HydrophobicContact CE3-CB 4.45Å; W121-F125 HydrophobicContact CH2-CB 4.21Å; W121-F125 AromaticContact CH2-CD2 3.96Å; W121-F125 HydrophobicContact CH2-CD2 3.96Å; W121-F125 HydrophobicContact CH2-CG 4.06Å; W121-F125 HydrophobicContact CZ2-CB 4.34Å; W121-F125 HydrophobicContact CZ2-CD2 4.05Å; W121-F125 HydrophobicContact CZ2-CG 4.41Å; W121-F125 HydrophobicContact CZ3-CB 4.28Å; W121-F125 HydrophobicContact CZ3-CG 4.42Å; W121-F125 WeakPolarHBondContact O-CB 3.37Å; W121-F125 PolarHBondContact O-N 3.47Å
122H98.1Very high94.9Very high9 Ų99.9 Ų9.94%0.0425%0.045CC..Hα-helixtrans-60.5-38.7175.1-84-77.1000112.2V118 A119 I120 A126 F149 A150V118-H122 PolarHBondContact O-CD2 3.35Å; V118-H122 VanDerWaalsContact O-CD2 3.3Å; V118-H122 PolarHBondContact O-N 3.34Å; A119-H122 PolarHBondContact O-N 3.3Å; A119-H122 VanDerWaalsContact O-N 3.16Å; I120-H122 VanDerWaalsContact C-N 3.32Å; I120-H122 PolarHBondContact O-N 3.46Å; H122-A126 WeakPolarHBondContact O-CB 3.43Å; H122-A126 PolarHBondContact O-N 3.45Å; H122-F149 AromaticContact CD2-CD1 3.71Å; H122-F149 AromaticContact CE1-CD1 3.59Å; H122-F149 AromaticContact CE1-CE1 3.94Å; H122-F149 AromaticContact NE2-CD1 3.4Å; H122-F149 WeakPolarHBondContact NE2-CD1 3.42Å; H122-F149 AromaticContact NE2-CE1 3.43Å; H122-F149 WeakPolarHBondContact NE2-CE1 3.47Å; H122-A150 HydrophobicContact CB-CB 3.94Å
123T97.4Very high93.7Very high2 Ų213.9 Ų13.91%0.0126%0.063CC..Hα-helixtrans-65.4-39.5174.875.20000111.9R7 A119 I120 W121 A126 S127 A150 F154 C187R7-T123 WeakPolarHBondContact CD-OG1 3.3Å; R7-T123 VanDerWaalsContact CZ-O 3.27Å; R7-T123 PolarHBondContact NE-O 3.4Å; R7-T123 PolarHBondContact NE-OG1 3.42Å; R7-T123 PolarHBondContact NH2-O 3.09Å; A119-T123 WeakPolarHBondContact O-CG2 2.79Å; A119-T123 PolarHBondContact O-N 3.4Å; A119-T123 VanDerWaalsContact O-N 3.1Å; I120-T123 PolarHBondContact O-N 3.04Å; I120-T123 PolarHBondContact O-OG1 3.49Å; W121-T123 VanDerWaalsContact C-N 3.3Å; W121-T123 PolarHBondContact O-N 2.91Å; T123-A126 PolarHBondContact O-N 2.91Å; T123-S127 PolarHBondContact O-N 3.03Å; T123-A150 HydrophobicContact CG2-CB 3.72Å; T123-F154 HydrophobicContact CG2-CE2 4.45Å; T123-C187 VanDerWaalsContact CG2-SG 3.57Å
124K95.1Very high92.8Very high12 Ų1220.5 Ų20.55%0.05210%0.099CC..Hα-helixtrans-70.5-42.5178.6-75.7178.9177.9-96.40111.3R7 N8 L10 I120 W121 A126 S127 R128 E398 S412R7-K124 HydrophobicContact CB-CG 4.24Å; R7-K124 HydrophobicContact CG-CG 4.02Å; N8-K124 WeakPolarHBondContact O-CE 3.4Å; N8-K124 PolarHBondContact O-NZ 2.95Å; L10-K124 HydrophobicContact CD1-CD 4.23Å; L10-K124 HydrophobicContact CD2-CD 4.27Å; L10-K124 HydrophobicContact CG-CD 3.88Å; I120-K124 HydrophobicContact CG2-CD 4.05Å; I120-K124 HydrophobicContact CG2-CG 4.36Å; I120-K124 PolarHBondContact O-N 2.94Å; W121-K124 PolarHBondContact O-N 3.11Å; W121-K124 VanDerWaalsContact O-N 3.13Å; K124-A126 VanDerWaalsContact C-N 3.33Å; K124-A126 PolarHBondContact O-N 3.16Å; K124-S127 PolarHBondContact O-N 3.15Å; K124-R128 WeakPolarHBondContact O-CB 3.38Å; K124-R128 PolarHBondContact O-N 3.3Å; K124-E398 WeakPolarHBondContact CD-OE2 3.41Å; K124-E398 VanDerWaalsContact CE-OE1 3.32Å; K124-E398 WeakPolarHBondContact CE-OE1 3.44Å; K124-E398 WeakPolarHBondContact CE-OE2 3.49Å; K124-E398 IonicContact NZ-OE1 3.68Å; K124-E398 PolarHBondContact NZ-OE1 2.98Å; K124-E398 IonicContact NZ-OE2 3.26Å; K124-E398 PolarHBondContact NZ-OE2 3.36Å; K124-S412 PolarHBondContact NZ-O 2.93Å
125F94.7Very high92.2Very high16 Ų1622.3 Ų22.37%0.0711%0.109CC..Hα-helixtrans-55.3-48.7172.1176.8-95.7000111P54 W121 S127 R128 L129 D142 S146P54-F125 HydrophobicContact CG-CD1 4.26Å; P54-F125 HydrophobicContact CG-CE1 3.68Å; P54-F125 HydrophobicContact CG-CZ 3.85Å; W121-F125 HydrophobicContact CE3-CB 4.45Å; W121-F125 HydrophobicContact CH2-CB 4.21Å; W121-F125 AromaticContact CH2-CD2 3.96Å; W121-F125 HydrophobicContact CH2-CD2 3.96Å; W121-F125 HydrophobicContact CH2-CG 4.06Å; W121-F125 HydrophobicContact CZ2-CB 4.34Å; W121-F125 HydrophobicContact CZ2-CD2 4.05Å; W121-F125 HydrophobicContact CZ2-CG 4.41Å; W121-F125 HydrophobicContact CZ3-CB 4.28Å; W121-F125 HydrophobicContact CZ3-CG 4.42Å; W121-F125 WeakPolarHBondContact O-CB 3.37Å; W121-F125 PolarHBondContact O-N 3.47Å; F125-S127 PolarHBondContact O-N 2.88Å; F125-R128 PolarHBondContact O-N 3.02Å; F125-L129 HydrophobicContact CD1-CD1 4.02Å; F125-L129 HydrophobicContact CE1-CD1 3.32Å; F125-L129 HydrophobicContact CE1-CG 4.18Å; F125-L129 HydrophobicContact CE2-CD1 4.37Å; F125-L129 HydrophobicContact CZ-CD1 3.52Å; F125-L129 HydrophobicContact CZ-CG 4.17Å; F125-L129 PolarHBondContact O-N 3.36Å; F125-L129 VanDerWaalsContact O-N 3.09Å; F125-D142 HydrophobicContact CE1-CB 4.5Å; F125-S146 WeakPolarHBondContact CD1-OG 3.41Å
126A95.1Very high91.7Very high0 Ų025.7 Ų25.70%013%0.13CC..Hα-helixtrans-60.5-45.5175.500000112.2H122 T123 K124 R128 L129 A130 V143 L147H122-A126 WeakPolarHBondContact O-CB 3.43Å; H122-A126 PolarHBondContact O-N 3.45Å; T123-A126 PolarHBondContact O-N 2.91Å; K124-A126 VanDerWaalsContact C-N 3.33Å; K124-A126 PolarHBondContact O-N 3.16Å; A126-R128 VanDerWaalsContact C-N 3.27Å; A126-R128 PolarHBondContact O-N 3.04Å; A126-L129 PolarHBondContact O-N 3.39Å; A126-A130 VanDerWaalsContact O-CB 3.25Å; A126-A130 WeakPolarHBondContact O-CB 3.21Å; A126-A130 PolarHBondContact O-N 3.46Å; A126-V143 HydrophobicContact CB-CB 4.5Å; A126-V143 HydrophobicContact CB-CG1 4.1Å; A126-V143 WeakPolarHBondContact O-CG2 3.36Å; A126-L147 HydrophobicContact CB-CD1 4.27Å; A126-L147 HydrophobicContact CB-CD2 3.89Å; A126-L147 HydrophobicContact CB-CG 3.69Å
127S92.5Very high91.3Very high0 Ų030 Ų300%015%0.15CC..Hα-helixtrans-61.3-36.2177.4-170.90000112.9F5 T123 K124 F125 G131F5-S127 PolarHBondContact O-OG 3.11Å; T123-S127 PolarHBondContact O-N 3.03Å; K124-S127 PolarHBondContact O-N 3.15Å; F125-S127 PolarHBondContact O-N 2.88Å; S127-G131 PolarHBondContact O-N 3.49Å; S127-G131 VanDerWaalsContact O-N 3.08Å
128R90Very high91Very high56 Ų5634.5 Ų34.521%0.21118%0.178CC..Hα-helixtrans-66.6-44.5177.2-173.9178.165.1174.42.1112.6T50 K124 F125 A126 L401 I411T50-R128 PolarHBondContact O-NH1 3.22Å; T50-R128 PolarHBondContact O-NH2 3.46Å; K124-R128 WeakPolarHBondContact O-CB 3.38Å; K124-R128 PolarHBondContact O-N 3.3Å; F125-R128 PolarHBondContact O-N 3.02Å; A126-R128 VanDerWaalsContact C-N 3.27Å; A126-R128 PolarHBondContact O-N 3.04Å; R128-L401 HydrophobicContact CG-CD1 3.97Å; R128-I411 HydrophobicContact CB-CD1 3.51Å; R128-I411 HydrophobicContact CG-CD1 4.01Å
129L91.4Very high90.6Very high12 Ų1235.3 Ų35.36%0.06318%0.182CC..Hα-helixtrans-66.7-42.3175.9-68.3-176.5000111.6F125 A126 G131 K132 D142 V143F125-L129 HydrophobicContact CD1-CD1 4.02Å; F125-L129 HydrophobicContact CE1-CD1 3.32Å; F125-L129 HydrophobicContact CE1-CG 4.18Å; F125-L129 HydrophobicContact CE2-CD1 4.37Å; F125-L129 HydrophobicContact CZ-CD1 3.52Å; F125-L129 HydrophobicContact CZ-CG 4.17Å; F125-L129 PolarHBondContact O-N 3.36Å; F125-L129 VanDerWaalsContact O-N 3.09Å; A126-L129 PolarHBondContact O-N 3.39Å; L129-G131 VanDerWaalsContact C-N 3.27Å; L129-G131 PolarHBondContact O-N 2.61Å; L129-K132 HydrophobicContact CD2-CD 4.44Å; L129-K132 VanDerWaalsContact CD2-CE 3.49Å; L129-K132 VanDerWaalsContact CD2-NZ 3.26Å; L129-K132 WeakPolarHBondContact O-CG 3.06Å; L129-K132 PolarHBondContact O-N 3.46Å; L129-D142 HydrophobicContact CD1-CB 3.77Å; L129-V143 HydrophobicContact CB-CG2 3.51Å; L129-V143 HydrophobicContact CD1-CG2 4.39Å
130A89.3Confident90.3Very high1 Ų136.7 Ų36.71%0.00819%0.194CC..Hα-helixtrans-67.9-25.9-177.800000114H3 F5 A126 V143H3-A130 HydrophobicContact CB-CB 4.13Å; H3-A130 PolarHBondContact N-O 2.96Å; H3-A130 CarbonylContact O-C 3.41Å; F5-A130 HydrophobicContact CD2-CB 4.29Å; F5-A130 HydrophobicContact CE2-CB 3.73Å; A126-A130 VanDerWaalsContact O-CB 3.25Å; A126-A130 WeakPolarHBondContact O-CB 3.21Å; A126-A130 PolarHBondContact O-N 3.46Å; A130-V143 HydrophobicContact CB-CG1 4.06Å; A130-V143 HydrophobicContact CB-CG2 3.98Å
131G84.6Confident90.1Very high7 Ų742.5 Ų42.57%0.07222%0.219CC..THydrogen-bonded Turntrans-894.8178.100000115.2S127 L129 T407S127-G131 PolarHBondContact O-N 3.49Å; S127-G131 VanDerWaalsContact O-N 3.08Å; L129-G131 VanDerWaalsContact C-N 3.27Å; L129-G131 PolarHBondContact O-N 2.61Å; G131-T407 WeakPolarHBondContact O-CB 3.02Å; G131-T407 WeakPolarHBondContact O-CG2 3.28Å; G131-T407 PolarHBondContact O-OG1 3.09Å
132K85.2Confident90Very high75 Ų7544.6 Ų44.633%0.32623%0.231SC..SBendtrans-68.9144.1172.9-68.1176.6177.7175.60110.4T2 L129 N134 V135 D139T2-K132 WeakPolarHBondContact CG2-O 3.5Å; L129-K132 HydrophobicContact CD2-CD 4.44Å; L129-K132 VanDerWaalsContact CD2-CE 3.49Å; L129-K132 VanDerWaalsContact CD2-NZ 3.26Å; L129-K132 WeakPolarHBondContact O-CG 3.06Å; L129-K132 PolarHBondContact O-N 3.46Å; K132-N134 VanDerWaalsContact C-N 3.3Å; K132-N134 PolarHBondContact O-N 3.17Å; K132-V135 HydrophobicContact CB-CG2 4.27Å; K132-V135 VanDerWaalsContact O-CG2 3.31Å; K132-V135 WeakPolarHBondContact O-CG2 3.33Å; K132-D139 IonicContact NZ-OD1 2.8Å; K132-D139 PolarHBondContact NZ-OD1 3.37Å; K132-D139 IonicContact NZ-OD2 2.72Å
133E73.1Confident89.9Confident84 Ų8444.3 Ų44.339%0.39323%0.23SC..SBendtrans-58-42.1174-73.3172.7-174.500112.4Q404 T407E133-Q404 HydrophobicContact CG-CB 4.39Å; E133-T407 HydrophobicContact CB-CG2 4.43Å; E133-T407 HydrophobicContact CG-CG2 3.62Å
134N78.9Confident89.9Confident139 Ų13946.5 Ų46.574%0.74324%0.24SC*.SBendtrans-113.376.8-179.5-65.4-37.6000111.1K132 T136K132-N134 VanDerWaalsContact C-N 3.3Å; K132-N134 PolarHBondContact O-N 3.17Å; N134-T136 PolarHBondContact O-N 3.08Å
135V84Confident90Very high37 Ų3754.2 Ų54.222%0.22427%0.269CS..  trans-70.6116173.6-175.30000109.5T2 K132 D139 A140T2-V135 HydrophobicContact CG2-CG2 4.26Å; K132-V135 HydrophobicContact CB-CG2 4.27Å; K132-V135 VanDerWaalsContact O-CG2 3.31Å; K132-V135 WeakPolarHBondContact O-CG2 3.33Å; V135-D139 HydrophobicContact CG1-CB 3.79Å; V135-A140 HydrophobicContact CG1-CB 4.27Å
136T88.6Confident90.1Very high73 Ų7353.7 Ų53.745%0.44827%0.267SS..  trans-79.5167.3174.268.10000111.7N134 V138 D139 A140N134-T136 PolarHBondContact O-N 3.08Å; T136-V138 PolarHBondContact O-N 3.24Å; T136-D139 WeakPolarHBondContact CB-OD2 3.24Å; T136-D139 WeakPolarHBondContact CG2-OD2 3.2Å; T136-D139 PolarHBondContact N-OD2 3.48Å; T136-D139 PolarHBondContact O-N 3.46Å; T136-D139 VanDerWaalsContact OG1-CG 3.24Å; T136-D139 PolarHBondContact OG1-N 3.32Å; T136-D139 VanDerWaalsContact OG1-N 3.12Å; T136-D139 PolarHBondContact OG1-OD2 3.11Å; T136-A140 PolarHBondContact O-N 3.37Å
137E89.3Confident90.3Very high90 Ų9053.7 Ų53.742%0.42127%0.267SS..Hα-helixtrans-60.1-35.5173.6-172.7-178.4148.400111.8A140 K141 R198E137-A140 PolarHBondContact O-N 3.37Å; E137-K141 WeakPolarHBondContact O-CG 3.43Å; E137-K141 PolarHBondContact O-N 3.01Å; E137-K141 WeakPolarHBondContact OE1-CE 3.44Å; E137-K141 IonicContact OE1-NZ 3.99Å; E137-K141 PolarHBondContact OE1-NZ 3.5Å; E137-R198 IonicContact OE1-NH2 3.31Å; E137-R198 PolarHBondContact OE1-NH2 3.27Å; E137-R198 IonicContact OE2-NH1 2.72Å; E137-R198 IonicContact OE2-NH2 2.96Å
138V91.1Very high90.5Very high94 Ų9456 Ų5657%0.5728%0.277SS*.Hα-helixtrans-65.4-47.6176.4-179.30000110.1T136 A140 K141 D142T136-V138 PolarHBondContact O-N 3.24Å; V138-A140 VanDerWaalsContact C-N 3.31Å; V138-A140 PolarHBondContact O-N 3.1Å; V138-K141 PolarHBondContact O-N 3.02Å; V138-D142 PolarHBondContact O-N 2.83Å
139D91.7Very high90.9Very high20 Ų2055.9 Ų55.911%0.10728%0.278CS..Hα-helixtrans-57.1-45.3175.5-65.8-65.3000111K132 V135 T136 K141 D142 V143K132-D139 IonicContact NZ-OD1 2.8Å; K132-D139 PolarHBondContact NZ-OD1 3.37Å; K132-D139 IonicContact NZ-OD2 2.72Å; V135-D139 HydrophobicContact CG1-CB 3.79Å; T136-D139 WeakPolarHBondContact CB-OD2 3.24Å; T136-D139 WeakPolarHBondContact CG2-OD2 3.2Å; T136-D139 PolarHBondContact N-OD2 3.48Å; T136-D139 PolarHBondContact O-N 3.46Å; T136-D139 VanDerWaalsContact OG1-CG 3.24Å; T136-D139 PolarHBondContact OG1-N 3.32Å; T136-D139 VanDerWaalsContact OG1-N 3.12Å; T136-D139 PolarHBondContact OG1-OD2 3.11Å; D139-K141 PolarHBondContact O-N 3.48Å; D139-D142 PolarHBondContact O-N 2.88Å; D139-V143 WeakPolarHBondContact O-CG2 3.42Å; D139-V143 PolarHBondContact O-N 2.6Å
140A91.2Very high91.2Very high30 Ų3055.3 Ų55.325%0.24828%0.275CS..Hα-helixtrans-62.4-40.2179.300000112.5V135 T136 E137 V138 D142 V143 H144 V194V135-A140 HydrophobicContact CG1-CB 4.27Å; T136-A140 PolarHBondContact O-N 3.37Å; E137-A140 PolarHBondContact O-N 3.37Å; V138-A140 VanDerWaalsContact C-N 3.31Å; V138-A140 PolarHBondContact O-N 3.1Å; A140-D142 VanDerWaalsContact C-N 3.34Å; A140-V143 PolarHBondContact O-N 3.43Å; A140-H144 WeakPolarHBondContact O-CB 3.38Å; A140-H144 PolarHBondContact O-N 3.19Å; A140-V194 HydrophobicContact CB-CG1 4.2Å
141K94.2Very high91.7Very high122 Ų12255.3 Ų55.353%0.5328%0.275SS..Hα-helixtrans-62.7-41.8173.7-75.3174.9-176165.90111.5E137 V138 D139 H144 R145E137-K141 WeakPolarHBondContact O-CG 3.43Å; E137-K141 PolarHBondContact O-N 3.01Å; E137-K141 WeakPolarHBondContact OE1-CE 3.44Å; E137-K141 IonicContact OE1-NZ 3.99Å; E137-K141 PolarHBondContact OE1-NZ 3.5Å; V138-K141 PolarHBondContact O-N 3.02Å; D139-K141 PolarHBondContact O-N 3.48Å; K141-H144 PolarHBondContact O-N 3.41Å; K141-R145 VanDerWaalsContact O-CB 3.31Å; K141-R145 WeakPolarHBondContact O-CB 3.28Å; K141-R145 PolarHBondContact O-N 3.18Å
142D95.1Very high92.3Very high58 Ų5855.1 Ų55.131%0.3127%0.273SS..Hα-helixtrans-68.7-38.8179.2-74.7-19.1000112.6F125 L129 V138 D139 A140 S146F125-D142 HydrophobicContact CE1-CB 4.5Å; L129-D142 HydrophobicContact CD1-CB 3.77Å; V138-D142 PolarHBondContact O-N 2.83Å; D139-D142 PolarHBondContact O-N 2.88Å; A140-D142 VanDerWaalsContact C-N 3.34Å; D142-S146 WeakPolarHBondContact O-CB 3.4Å; D142-S146 PolarHBondContact O-N 3.07Å; D142-S146 PolarHBondContact O-OG 2.9Å
143V96.1Very high93Very high2 Ų251.5 Ų51.51%0.01226%0.257CS..Hα-helixtrans-57.5-54.9171173.50000109.7F5 A126 L129 A130 D139 A140 R145 S146 L147 V194F5-V143 HydrophobicContact CE2-CG1 4.17Å; A126-V143 HydrophobicContact CB-CB 4.5Å; A126-V143 HydrophobicContact CB-CG1 4.1Å; A126-V143 WeakPolarHBondContact O-CG2 3.36Å; L129-V143 HydrophobicContact CB-CG2 3.51Å; L129-V143 HydrophobicContact CD1-CG2 4.39Å; A130-V143 HydrophobicContact CB-CG1 4.06Å; A130-V143 HydrophobicContact CB-CG2 3.98Å; D139-V143 WeakPolarHBondContact O-CG2 3.42Å; D139-V143 PolarHBondContact O-N 2.6Å; A140-V143 PolarHBondContact O-N 3.43Å; V143-R145 PolarHBondContact O-N 3.47Å; V143-S146 PolarHBondContact O-N 3.3Å; V143-L147 HydrophobicContact CG1-CD1 3.86Å; V143-L147 WeakPolarHBondContact O-CG 3.36Å; V143-L147 PolarHBondContact O-N 3.38Å; V143-V194 HydrophobicContact CB-CG2 4.47Å; V143-V194 HydrophobicContact CG1-CG2 3.7Å
144H96.3Very high94.2Very high49 Ų4947.5 Ų47.523%0.22724%0.238CC..Hα-helixtrans-60.2-46-178177.2-103.7000112A140 K141 K148 A191 V194A140-H144 WeakPolarHBondContact O-CB 3.38Å; A140-H144 PolarHBondContact O-N 3.19Å; K141-H144 PolarHBondContact O-N 3.41Å; H144-K148 WeakPolarHBondContact CE1-CD 3.4Å; H144-K148 WeakPolarHBondContact O-CG 3.29Å; H144-K148 PolarHBondContact O-N 3.46Å; H144-K148 VanDerWaalsContact O-N 3.17Å; H144-A191 PolarHBondContact CD2-O 3.33Å; H144-V194 HydrophobicContact CB-CB 4.31Å; H144-V194 HydrophobicContact CB-CG1 4.09Å
145R97.1Very high95.1Very high174 Ų17444.6 Ų44.666%0.65722%0.219SC*.Hα-helixtrans-63.4-44.6177.8-176178.1-179.7172.80.9111.8K141 V143 K148 F149 I354K141-R145 VanDerWaalsContact O-CB 3.31Å; K141-R145 WeakPolarHBondContact O-CB 3.28Å; K141-R145 PolarHBondContact O-N 3.18Å; V143-R145 PolarHBondContact O-N 3.47Å; R145-K148 PolarHBondContact O-N 2.82Å; R145-F149 VanDerWaalsContact O-CB 3.31Å; R145-F149 WeakPolarHBondContact O-CB 3.36Å; R145-F149 PolarHBondContact O-N 3.45Å; R145-I354 HydrophobicContact CG-CD1 4.3Å
146S97.9Very high95.7Very high5 Ų544.6 Ų44.64%0.03522%0.216CC..Hα-helixtrans-65-40.6-177.7-62.70000112.2F125 D142 V143 F149 A150F125-S146 WeakPolarHBondContact CD1-OG 3.41Å; D142-S146 WeakPolarHBondContact O-CB 3.4Å; D142-S146 PolarHBondContact O-N 3.07Å; D142-S146 PolarHBondContact O-OG 2.9Å; V143-S146 PolarHBondContact O-N 3.3Å; S146-F149 PolarHBondContact O-N 3.45Å; S146-A150 WeakPolarHBondContact O-CB 3.16Å; S146-A150 PolarHBondContact O-N 2.91Å
147L98.4Very high96.1Very high0 Ų041.1 Ų41.10%020%0.195CC..Hα-helixtrans-65.7-45.3176.5-69.6166.6000111.9F5 A126 V143 F149 A150 A151 C187 E190 A191F5-L147 HydrophobicContact CE2-CD1 4.16Å; F5-L147 HydrophobicContact CZ-CD1 4.41Å; A126-L147 HydrophobicContact CB-CD1 4.27Å; A126-L147 HydrophobicContact CB-CD2 3.89Å; A126-L147 HydrophobicContact CB-CG 3.69Å; V143-L147 HydrophobicContact CG1-CD1 3.86Å; V143-L147 WeakPolarHBondContact O-CG 3.36Å; V143-L147 PolarHBondContact O-N 3.38Å; L147-F149 VanDerWaalsContact C-N 3.28Å; L147-F149 PolarHBondContact O-N 3.34Å; L147-A150 PolarHBondContact O-N 2.8Å; L147-A151 PolarHBondContact O-N 3.34Å; L147-C187 WeakPolarHBondContact O-CB 3.45Å; L147-E190 HydrophobicContact CD1-CB 3.76Å; L147-E190 HydrophobicContact CD2-CB 4.13Å; L147-E190 WeakPolarHBondContact CD2-OE2 3.34Å; L147-A191 HydrophobicContact CB-CB 3.96Å; L147-A191 HydrophobicContact CD1-CB 4.38Å
148K97.9Very high96.5Very high48 Ų4840.2 Ų40.221%0.20919%0.19CC..Hα-helixtrans-64.2-34.6176.2-68.5177.666.6-177.20112.6H144 R145 G152 A191 E352 I354H144-K148 WeakPolarHBondContact CE1-CD 3.4Å; H144-K148 WeakPolarHBondContact O-CG 3.29Å; H144-K148 PolarHBondContact O-N 3.46Å; H144-K148 VanDerWaalsContact O-N 3.17Å; R145-K148 PolarHBondContact O-N 2.82Å; K148-G152 PolarHBondContact O-N 2.95Å; K148-A191 HydrophobicContact CG-CB 4Å; K148-E352 WeakPolarHBondContact CE-O 3.45Å; K148-I354 HydrophobicContact CB-CD1 3.74Å; K148-I354 HydrophobicContact CB-CG1 3.87Å; K148-I354 PolarHBondContact O-N 3.11Å
149F98Very high96.7Very high54 Ų5441.3 Ų41.324%0.23719%0.189CC..Hα-helixtrans-69.8-42.8175.6-170.5-113000111.7H122 R145 S146 L147 A151 G152 I153 I354 F356H122-F149 AromaticContact CD2-CD1 3.71Å; H122-F149 AromaticContact CE1-CD1 3.59Å; H122-F149 AromaticContact CE1-CE1 3.94Å; H122-F149 AromaticContact NE2-CD1 3.4Å; H122-F149 WeakPolarHBondContact NE2-CD1 3.42Å; H122-F149 AromaticContact NE2-CE1 3.43Å; H122-F149 WeakPolarHBondContact NE2-CE1 3.47Å; R145-F149 VanDerWaalsContact O-CB 3.31Å; R145-F149 WeakPolarHBondContact O-CB 3.36Å; R145-F149 PolarHBondContact O-N 3.45Å; S146-F149 PolarHBondContact O-N 3.45Å; L147-F149 VanDerWaalsContact C-N 3.28Å; L147-F149 PolarHBondContact O-N 3.34Å; F149-A151 PolarHBondContact O-N 3.08Å; F149-G152 WeakPolarHBondContact O-CA 3.19Å; F149-G152 PolarHBondContact O-N 3.42Å; F149-G152 VanDerWaalsContact O-N 3.09Å; F149-I153 HydrophobicContact CD1-CD1 3.93Å; F149-I153 HydrophobicContact CE1-CD1 3.72Å; F149-I153 HydrophobicContact CE1-CG1 4.37Å; F149-I153 HydrophobicContact CZ-CD1 4.33Å; F149-I153 WeakPolarHBondContact O-CG1 3.3Å; F149-I153 PolarHBondContact O-N 3.42Å; F149-I354 HydrophobicContact CB-CD1 4.5Å; F149-I354 HydrophobicContact CD2-CG2 4.24Å; F149-F356 AromaticContact CE2-CD2 3.89Å; F149-F356 HydrophobicContact CE2-CD2 3.89Å; F149-F356 AromaticContact CZ-CD2 3.69Å; F149-F356 HydrophobicContact CZ-CD2 3.69Å; F149-F356 HydrophobicContact CZ-CE2 4.06Å
150A98.4Very high96.9Very high0 Ų043.5 Ų43.50%020%0.203CC..Hα-helixtrans-58.8-45.7172.600000112A119 H122 T123 S146 L147 G152 I153 F154A119-A150 HydrophobicContact CB-CB 4.36Å; A119-A150 WeakPolarHBondContact O-CB 3.38Å; H122-A150 HydrophobicContact CB-CB 3.94Å; T123-A150 HydrophobicContact CG2-CB 3.72Å; S146-A150 WeakPolarHBondContact O-CB 3.16Å; S146-A150 PolarHBondContact O-N 2.91Å; L147-A150 PolarHBondContact O-N 2.8Å; A150-G152 PolarHBondContact O-N 2.95Å; A150-I153 PolarHBondContact O-N 3.18Å; A150-F154 HydrophobicContact CB-CE2 4.36Å; A150-F154 WeakPolarHBondContact O-CD2 3.44Å; A150-F154 PolarHBondContact O-N 3.49Å
151A98.3Very high97Very high0 Ų042.7 Ų42.70%019%0.194CC..Hα-helixtrans-56.6-40.317400000111.8L147 F149 F154 K155 C187 Q188 P353L147-A151 PolarHBondContact O-N 3.34Å; F149-A151 PolarHBondContact O-N 3.08Å; A151-F154 PolarHBondContact O-N 3.08Å; A151-K155 VanDerWaalsContact O-CB 3.3Å; A151-K155 WeakPolarHBondContact O-CB 3.28Å; A151-K155 PolarHBondContact O-N 3.04Å; A151-C187 HydrophobicContact CB-CB 3.64Å; A151-Q188 HydrophobicContact CB-CG 4.41Å; A151-P353 HydrophobicContact CB-CB 4Å; A151-P353 HydrophobicContact CB-CG 4.07Å
152G98.3Very high97.1Very high3 Ų338.2 Ų38.23%0.03118%0.176CC..Hα-helixtrans-59.6-49.8175.900000113.6K148 F149 A150 K155 H156 I354K148-G152 PolarHBondContact O-N 2.95Å; F149-G152 WeakPolarHBondContact O-CA 3.19Å; F149-G152 PolarHBondContact O-N 3.42Å; F149-G152 VanDerWaalsContact O-N 3.09Å; A150-G152 PolarHBondContact O-N 2.95Å; G152-K155 PolarHBondContact O-N 3.35Å; G152-H156 WeakPolarHBondContact O-CB 3.45Å; G152-H156 PolarHBondContact O-N 3.13Å; G152-I354 WeakPolarHBondContact CA-O 3.37Å
153I98.5Very high97.1Very high0 Ų039.9 Ų39.90%019%0.19CC..Hα-helixtrans-59.6-52176.5-62.9164.8000109.8A115 V118 A119 F149 A150 K155 H156 L157 F356A115-I153 HydrophobicContact CB-CG2 4.35Å; V118-I153 HydrophobicContact CG1-CD1 4.11Å; A119-I153 HydrophobicContact CB-CB 3.89Å; A119-I153 HydrophobicContact CB-CD1 4.16Å; A119-I153 HydrophobicContact CB-CG2 3.84Å; F149-I153 HydrophobicContact CD1-CD1 3.93Å; F149-I153 HydrophobicContact CE1-CD1 3.72Å; F149-I153 HydrophobicContact CE1-CG1 4.37Å; F149-I153 HydrophobicContact CZ-CD1 4.33Å; F149-I153 WeakPolarHBondContact O-CG1 3.3Å; F149-I153 PolarHBondContact O-N 3.42Å; A150-I153 PolarHBondContact O-N 3.18Å; I153-K155 VanDerWaalsContact C-N 3.3Å; I153-K155 PolarHBondContact O-N 3.4Å; I153-H156 PolarHBondContact O-N 3.01Å; I153-L157 HydrophobicContact CG2-CD1 3.94Å; I153-L157 HydrophobicContact CG2-CG 4.19Å; I153-L157 VanDerWaalsContact O-CG 3.27Å; I153-L157 WeakPolarHBondContact O-CG 3.47Å; I153-L157 PolarHBondContact O-N 3.33Å; I153-F356 HydrophobicContact CB-CD1 4.46Å; I153-F356 HydrophobicContact CB-CG 4.37Å; I153-F356 HydrophobicContact CD1-CD2 4.39Å; I153-F356 HydrophobicContact CD1-CE2 4.45Å; I153-F356 HydrophobicContact CG1-CB 4.15Å; I153-F356 HydrophobicContact CG1-CD1 4.1Å; I153-F356 HydrophobicContact CG1-CD2 3.58Å; I153-F356 HydrophobicContact CG1-CE1 4.44Å; I153-F356 HydrophobicContact CG1-CE2 3.96Å; I153-F356 HydrophobicContact CG1-CG 3.65Å; I153-F356 HydrophobicContact CG1-CZ 4.37Å
154F98.5Very high96.9Very high0 Ų043.7 Ų43.70%020%0.204CC..Hα-helixtrans-58.1-42.6179.8-68.5-53.7000112.5Y116 A119 I120 T123 A150 A151 L157 K158 I180 Y183 I184Y116-F154 AromaticContact CD1-CE1 3.61Å; Y116-F154 HydrophobicContact CD1-CE1 3.61Å; Y116-F154 HydrophobicContact CD1-CZ 4.42Å; Y116-F154 AromaticContact CD2-CD1 3.96Å; Y116-F154 HydrophobicContact CD2-CD1 3.96Å; Y116-F154 AromaticContact CD2-CE1 3.84Å; Y116-F154 HydrophobicContact CD2-CE1 3.84Å; Y116-F154 HydrophobicContact CE1-CD1 4.38Å; Y116-F154 AromaticContact CE1-CE1 3.48Å; Y116-F154 HydrophobicContact CE1-CE1 3.48Å; Y116-F154 VanDerWaalsContact CE1-CE1 3.48Å; Y116-F154 HydrophobicContact CE1-CZ 4.14Å; Y116-F154 AromaticContact CE2-CD1 3.81Å; Y116-F154 HydrophobicContact CE2-CD1 3.81Å; Y116-F154 AromaticContact CE2-CE1 3.73Å; Y116-F154 HydrophobicContact CE2-CE1 3.73Å; Y116-F154 HydrophobicContact CG-CD1 4.31Å; Y116-F154 AromaticContact CG-CE1 3.78Å; Y116-F154 HydrophobicContact CG-CE1 3.78Å; Y116-F154 AromaticContact CZ-CE1 3.53Å; A119-F154 HydrophobicContact CB-CD1 3.93Å; A119-F154 HydrophobicContact CB-CD2 4.06Å; A119-F154 HydrophobicContact CB-CE1 3.49Å; A119-F154 VanDerWaalsContact CB-CE1 3.49Å; A119-F154 HydrophobicContact CB-CE2 3.65Å; A119-F154 HydrophobicContact CB-CG 4.18Å; A119-F154 HydrophobicContact CB-CZ 3.35Å; I120-F154 HydrophobicContact CG1-CZ 4.21Å; T123-F154 HydrophobicContact CG2-CE2 4.45Å; A150-F154 HydrophobicContact CB-CE2 4.36Å; A150-F154 WeakPolarHBondContact O-CD2 3.44Å; A150-F154 PolarHBondContact O-N 3.49Å; A151-F154 PolarHBondContact O-N 3.08Å; F154-L157 PolarHBondContact O-N 3.08Å; F154-K158 WeakPolarHBondContact O-CB 3.45Å; F154-K158 PolarHBondContact O-N 3.41Å; F154-I180 HydrophobicContact CB-CD1 4.43Å; F154-I180 HydrophobicContact CB-CG1 4Å; F154-I180 HydrophobicContact CD1-CD1 4.42Å; F154-I180 HydrophobicContact CD1-CG1 4.13Å; F154-I180 HydrophobicContact CG-CG1 4.42Å; F154-I180 WeakPolarHBondContact O-CD1 3.49Å; F154-Y183 HydrophobicContact CE1-CG 4.46Å; F154-Y183 AromaticContact CE2-CD1 3.95Å; F154-Y183 HydrophobicContact CE2-CD1 3.95Å; F154-Y183 HydrophobicContact CE2-CG 4.13Å; F154-Y183 AromaticContact CZ-CD1 3.87Å; F154-Y183 HydrophobicContact CZ-CD1 3.87Å; F154-Y183 HydrophobicContact CZ-CG 4.02Å; F154-I184 HydrophobicContact CB-CD1 4.22Å; F154-I184 HydrophobicContact CB-CG1 3.45Å; F154-I184 VanDerWaalsContact CB-CG1 3.45Å
155K98Very high96.8Very high78 Ų7842.3 Ų42.334%0.33920%0.198SC..Hα-helixtrans-62.5-47.3177-175.5178.1177.9-176.40111.6A151 G152 I153 L157 K158 E159 I184 P353A151-K155 VanDerWaalsContact O-CB 3.3Å; A151-K155 WeakPolarHBondContact O-CB 3.28Å; A151-K155 PolarHBondContact O-N 3.04Å; G152-K155 PolarHBondContact O-N 3.35Å; I153-K155 VanDerWaalsContact C-N 3.3Å; I153-K155 PolarHBondContact O-N 3.4Å; K155-L157 PolarHBondContact O-N 3.07Å; K155-K158 PolarHBondContact O-N 2.85Å; K155-E159 WeakPolarHBondContact CE-OE1 3.3Å; K155-E159 WeakPolarHBondContact CE-OE2 3.43Å; K155-E159 HydrophobicContact CG-CG 4.41Å; K155-E159 WeakPolarHBondContact O-CB 3.36Å; K155-E159 WeakPolarHBondContact O-CG 3.4Å; K155-E159 PolarHBondContact O-N 2.99Å; K155-I184 HydrophobicContact CB-CD1 4.15Å; K155-I184 HydrophobicContact CB-CG1 4.48Å; K155-P353 HydrophobicContact CD-CB 4.31Å; K155-P353 HydrophobicContact CD-CG 4.22Å
156H97.6Very high96.4Very high36 Ų3639.8 Ų39.817%0.16720%0.196CC..Hα-helixtrans-60.8-44.7177.6-176.683.3000111.9G152 I153 K158 E159 V160 H161 F356 F358G152-H156 WeakPolarHBondContact O-CB 3.45Å; G152-H156 PolarHBondContact O-N 3.13Å; I153-H156 PolarHBondContact O-N 3.01Å; H156-K158 PolarHBondContact O-N 3.31Å; H156-E159 PolarHBondContact O-N 3.21Å; H156-V160 WeakPolarHBondContact O-CB 3.32Å; H156-V160 PolarHBondContact O-N 3.22Å; H156-H161 AromaticContact CD2-CD2 3.67Å; H156-H161 AromaticContact CD2-NE2 3.83Å; H156-H161 AromaticContact NE2-CD2 3.56Å; H156-H161 AromaticContact NE2-NE2 3.26Å; H156-H161 PolarHBondContact NE2-NE2 3Å; H156-F356 HydrophobicContact CB-CB 4.33Å; H156-F356 HydrophobicContact CB-CD1 4.05Å; H156-F356 AromaticContact CD2-CD1 3.8Å; H156-F356 AromaticContact CG-CD1 3.98Å; H156-F356 PolarHBondContact ND1-O 2.96Å; H156-F358 AromaticContact CD2-CE2 3.8Å; H156-F358 AromaticContact NE2-CD2 3.69Å; H156-F358 AromaticContact NE2-CE2 3.84Å
157L97.4Very high96Very high0 Ų043.5 Ų43.50%022%0.219CC..Iπ-helixtrans-59.7-46.3176.2-68-179.7000111.7I112 A115 Y116 I153 F154 K155 H161 I162 I180 F358I112-L157 HydrophobicContact CB-CD2 4.43Å; I112-L157 HydrophobicContact CG1-CD2 4.32Å; I112-L157 HydrophobicContact CG2-CB 4.36Å; I112-L157 HydrophobicContact CG2-CD1 4.19Å; I112-L157 HydrophobicContact CG2-CD2 4.22Å; I112-L157 HydrophobicContact CG2-CG 4.49Å; A115-L157 HydrophobicContact CB-CD1 3.88Å; A115-L157 HydrophobicContact CB-CD2 3.85Å; A115-L157 HydrophobicContact CB-CG 4.36Å; Y116-L157 HydrophobicContact CD2-CD1 4.45Å; I153-L157 HydrophobicContact CG2-CD1 3.94Å; I153-L157 HydrophobicContact CG2-CG 4.19Å; I153-L157 VanDerWaalsContact O-CG 3.27Å; I153-L157 WeakPolarHBondContact O-CG 3.47Å; I153-L157 PolarHBondContact O-N 3.33Å; F154-L157 PolarHBondContact O-N 3.08Å; K155-L157 PolarHBondContact O-N 3.07Å; L157-H161 HydrophobicContact CD2-CB 4.47Å; L157-H161 PolarHBondContact O-N 3.43Å; L157-H161 VanDerWaalsContact O-N 3.12Å; L157-I162 WeakPolarHBondContact O-CG1 3.45Å; L157-I162 PolarHBondContact O-N 3.03Å; L157-I180 HydrophobicContact CB-CD1 4.13Å; L157-F358 HydrophobicContact CD2-CE2 4.16Å; L157-F358 HydrophobicContact CD2-CZ 3.84Å
158K96.7Very high95.6Very high71 Ų7148.5 Ų48.531%0.30925%0.251SS..Iπ-helixtrans-59.9-48.4177.9-176.9-165.9175.3-174.60112.6F154 K155 H156 P163 I180 D181 I184F154-K158 WeakPolarHBondContact O-CB 3.45Å; F154-K158 PolarHBondContact O-N 3.41Å; K155-K158 PolarHBondContact O-N 2.85Å; H156-K158 PolarHBondContact O-N 3.31Å; K158-P163 VanDerWaalsContact O-CD 3.31Å; K158-P163 WeakPolarHBondContact O-CD 3.41Å; K158-I180 HydrophobicContact CB-CD1 4.1Å; K158-I180 HydrophobicContact CB-CG2 4.34Å; K158-I180 HydrophobicContact CD-CG2 4.48Å; K158-I180 HydrophobicContact CG-CG2 4.21Å; K158-D181 WeakPolarHBondContact CD-OD1 3.39Å; K158-D181 WeakPolarHBondContact CE-OD1 3.04Å; K158-D181 IonicContact NZ-OD1 3.79Å; K158-D181 PolarHBondContact NZ-OD1 2.87Å; K158-D181 IonicContact NZ-OD2 2.75Å; K158-D181 PolarHBondContact NZ-OD2 2.98Å; K158-I184 HydrophobicContact CB-CD1 4.47Å; K158-I184 HydrophobicContact CD-CD1 4.09Å
159E96.3Very high95.2Very high117 Ų11747.6 Ų47.655%0.54725%0.253SS..Iπ-helixtrans-81-35.5-170.1-69.2174.9172.600112.3K155 H156K155-E159 WeakPolarHBondContact CE-OE1 3.3Å; K155-E159 WeakPolarHBondContact CE-OE2 3.43Å; K155-E159 HydrophobicContact CG-CG 4.41Å; K155-E159 WeakPolarHBondContact O-CB 3.36Å; K155-E159 WeakPolarHBondContact O-CG 3.4Å; K155-E159 PolarHBondContact O-N 2.99Å; H156-E159 PolarHBondContact O-N 3.21Å
160V94.8Very high94.8Very high67 Ų6750.6 Ų50.641%0.40627%0.267SS..Iπ-helixtrans-107.1-41.5-169.2-176.70000113.1H156 R164H156-V160 WeakPolarHBondContact O-CB 3.32Å; H156-V160 PolarHBondContact O-N 3.22Å; V160-R164 VanDerWaalsContact O-CD 3.26Å; V160-R164 WeakPolarHBondContact O-CD 3.49Å; V160-R164 WeakPolarHBondContact O-CG 3.41Å
161H93.7Very high94.3Very high13 Ų1355.8 Ų55.86%0.0629%0.29CS..Iπ-helixtrans-104.5-42.3-166.7-69.8-85.2000114.4I112 H156 L157 P163 R164 F358I112-H161 HydrophobicContact CD1-CB 3.79Å; I112-H161 HydrophobicContact CG1-CB 3.6Å; H156-H161 AromaticContact CD2-CD2 3.67Å; H156-H161 AromaticContact CD2-NE2 3.83Å; H156-H161 AromaticContact NE2-CD2 3.56Å; H156-H161 AromaticContact NE2-NE2 3.26Å; H156-H161 PolarHBondContact NE2-NE2 3Å; L157-H161 HydrophobicContact CD2-CB 4.47Å; L157-H161 PolarHBondContact O-N 3.43Å; L157-H161 VanDerWaalsContact O-N 3.12Å; H161-P163 VanDerWaalsContact C-CD 3.47Å; H161-P163 VanDerWaalsContact C-N 3.33Å; H161-R164 WeakPolarHBondContact O-CB 3.07Å; H161-R164 PolarHBondContact O-N 2.91Å; H161-F358 AromaticContact CD2-CE2 3.63Å; H161-F358 AromaticContact CE1-CD2 3.97Å; H161-F358 AromaticContact CE1-CE2 3.8Å; H161-F358 AromaticContact NE2-CD2 3.46Å; H161-F358 WeakPolarHBondContact NE2-CD2 3.21Å; H161-F358 AromaticContact NE2-CE2 3.25Å; H161-F358 VanDerWaalsContact NE2-CE2 3.25Å; H161-F358 WeakPolarHBondContact NE2-CE2 3.36Å
162I95Very high93.7Very high28 Ų2856 Ų5614%0.14429%0.292CS..G310 helixtrans-56.1-41.9178-71178.3000112.2I112 L157 R164 L165 L175 I180I112-I162 HydrophobicContact CD1-CG1 4.13Å; I112-I162 HydrophobicContact CG2-CG1 4.03Å; L157-I162 WeakPolarHBondContact O-CG1 3.45Å; L157-I162 PolarHBondContact O-N 3.03Å; I162-R164 PolarHBondContact O-N 3.46Å; I162-R164 VanDerWaalsContact O-N 3.09Å; I162-L165 WeakPolarHBondContact O-CB 3.45Å; I162-L165 PolarHBondContact O-N 3.2Å; I162-L165 VanDerWaalsContact O-N 3.13Å; I162-L175 HydrophobicContact CD1-CB 4.44Å; I162-I180 HydrophobicContact CD1-CD1 3.56Å; I162-I180 HydrophobicContact CD1-CG2 4.44Å
163P95.1Very high93.5Very high93 Ų9356.7 Ų56.760%0.60429%0.293SS*.G310 helixtrans-63.2-15.7176.7-24.536000114.7K158 H161K158-P163 VanDerWaalsContact O-CD 3.31Å; K158-P163 WeakPolarHBondContact O-CD 3.41Å; H161-P163 VanDerWaalsContact C-CD 3.47Å; H161-P163 VanDerWaalsContact C-N 3.33Å
164R93.7Very high93.3Very high81 Ų8156.7 Ų56.731%0.30629%0.293SS..G310 helixtrans-86.1-9.9179-61.3170.959.3-168.8-0.7113E81 R85 I108 V160 H161 I162E81-R164 IonicContact OE1-CZ 3.45Å; E81-R164 IonicContact OE1-NE 3.57Å; E81-R164 PolarHBondContact OE1-NE 3.37Å; E81-R164 IonicContact OE1-NH2 2.98Å; E81-R164 PolarHBondContact OE1-NH2 3.5Å; R85-R164 PolarHBondContact NH1-O 2.94Å; R85-R164 PolarHBondContact NH2-O 3.32Å; I108-R164 HydrophobicContact CD1-CB 3.89Å; V160-R164 VanDerWaalsContact O-CD 3.26Å; V160-R164 WeakPolarHBondContact O-CD 3.49Å; V160-R164 WeakPolarHBondContact O-CG 3.41Å; H161-R164 WeakPolarHBondContact O-CB 3.07Å; H161-R164 PolarHBondContact O-N 2.91Å; I162-R164 PolarHBondContact O-N 3.46Å; I162-R164 VanDerWaalsContact O-N 3.09Å
165L93.2Very high93Very high21 Ų2156.9 Ų56.911%0.1130%0.295CS..  trans-68.6129.9176-68.2174.1000110.1I108 F109 I112 I162 L175I108-L165 HydrophobicContact CB-CD2 4.29Å; I108-L165 HydrophobicContact CG2-CD2 3.9Å; I108-L165 HydrophobicContact CG2-CG 4.47Å; F109-L165 HydrophobicContact CB-CD2 3.99Å; I112-L165 HydrophobicContact CD1-CD1 3.87Å; I112-L165 HydrophobicContact CD1-CD2 4.01Å; I112-L165 HydrophobicContact CD1-CG 3.85Å; I162-L165 WeakPolarHBondContact O-CB 3.45Å; I162-L165 PolarHBondContact O-N 3.2Å; I162-L165 VanDerWaalsContact O-N 3.13Å; L165-L175 HydrophobicContact CD1-CD1 4.13Å
166I89.6Confident92.7Very high120 Ų12054.3 Ų54.362%0.61528%0.284SS*.SBendtrans-72.1-43.4175.7-60.2177.5000109.8F86F86-I166 HydrophobicContact CE1-CD1 3.68Å; F86-I166 HydrophobicContact CZ-CD1 3.52Å
167T89.4Confident92.5Very high84 Ų8456 Ų5652%0.51530%0.298SS..SBendtrans-98.8111.2178.3-550000109Q104Q104-T167 PolarHBondContact NE2-O 3.46Å
168P90.3Very high92.4Very high104 Ų10459 Ų5968%0.67531%0.309SS*.PPolyproline II helixtrans-65.6155.1178.828.7-34.7000110.9
169A89.4Confident92.3Very high29 Ų2955.6 Ų55.624%0.2429%0.294CS..PPolyproline II helixtrans-68.9142.8175.400000111.4R173 L175A169-R173 HydrophobicContact CB-CB 4.25Å; A169-L175 HydrophobicContact CB-CB 3.72Å
170E89.1Confident92.3Very high117 Ų11750 Ų5055%0.54727%0.268SS..PPolyproline II helixtrans-66.9162.3174.2-60169.2168.100111.6G172 R173E170-G172 PolarHBondContact O-N 3.16Å; E170-R173 HydrophobicContact CB-CG 3.82Å; E170-R173 VanDerWaalsContact O-CB 3.31Å; E170-R173 WeakPolarHBondContact O-CB 3.33Å; E170-R173 VanDerWaalsContact O-CG 3.26Å; E170-R173 WeakPolarHBondContact O-CG 3.47Å; E170-R173 PolarHBondContact O-N 3.27Å; E170-R173 IonicContact OE2-CZ 2.82Å; E170-R173 IonicContact OE2-NE 2.86Å; E170-R173 PolarHBondContact OE2-NE 3.47Å; E170-R173 IonicContact OE2-NH2 3.09Å; E170-R173 PolarHBondContact OE2-NH2 3.12Å
171K88.1Confident92.4Very high110 Ų11048.9 Ų48.948%0.47826%0.26SS..THydrogen-bonded Turntrans-58.7132.5177.6-178.1174179.1-1660111.4R173 E176 T229 L230K171-R173 VanDerWaalsContact C-N 3.32Å; K171-E176 WeakPolarHBondContact CA-OE2 3.4Å; K171-T229 WeakPolarHBondContact CE-O 3.49Å; K171-T229 PolarHBondContact NZ-O 3.24Å; K171-L230 HydrophobicContact CG-CD2 4.15Å
172G85.5Confident92.6Very high3 Ų348.2 Ų48.23%0.03126%0.257CS..THydrogen-bonded Turntrans80.36.317800000114.8Q97 E170 E176Q97-G172 PolarHBondContact NE2-O 2.98Å; E170-G172 PolarHBondContact O-N 3.16Å; G172-E176 PolarHBondContact N-OE2 3.07Å
173R92.9Very high92.8Very high18 Ų1847.2 Ų47.27%0.06825%0.251CS..SBendtrans-85.7159.8172.9-59.6-79.4-179.9-178.21.4110.6D94 T100 A169 E170 K171 L175 E176 V179D94-R173 VanDerWaalsContact CG-CD 3.48Å; D94-R173 WeakPolarHBondContact OD2-CD 3.31Å; D94-R173 IonicContact OD2-CZ 2.61Å; D94-R173 IonicContact OD2-NE 3.94Å; D94-R173 IonicContact OD2-NH1 3.65Å; D94-R173 PolarHBondContact OD2-NH1 2.84Å; T100-R173 PolarHBondContact O-NH1 2.97Å; A169-R173 HydrophobicContact CB-CB 4.25Å; E170-R173 HydrophobicContact CB-CG 3.82Å; E170-R173 VanDerWaalsContact O-CB 3.31Å; E170-R173 WeakPolarHBondContact O-CB 3.33Å; E170-R173 VanDerWaalsContact O-CG 3.26Å; E170-R173 WeakPolarHBondContact O-CG 3.47Å; E170-R173 PolarHBondContact O-N 3.27Å; E170-R173 IonicContact OE2-CZ 2.82Å; E170-R173 IonicContact OE2-NE 2.86Å; E170-R173 PolarHBondContact OE2-NE 3.47Å; E170-R173 IonicContact OE2-NH2 3.09Å; E170-R173 PolarHBondContact OE2-NH2 3.12Å; K171-R173 VanDerWaalsContact C-N 3.32Å; R173-L175 VanDerWaalsContact C-N 3.27Å; R173-L175 PolarHBondContact O-N 3.49Å; R173-E176 VanDerWaalsContact O-CB 3.32Å; R173-E176 WeakPolarHBondContact O-CB 3.31Å; R173-E176 PolarHBondContact O-N 3.38Å; R173-V179 WeakPolarHBondContact O-CG2 3.31Å
174D94.4Very high92.9Very high0 Ų043.4 Ų43.40%023%0.226CC..THydrogen-bonded Turntrans-65-32.7-173.7-68.6-28.1000113.5K11 D94 T95 Y116 E176K11-D174 VanDerWaalsContact CD-OD2 3.29Å; K11-D174 WeakPolarHBondContact CD-OD2 3.21Å; K11-D174 WeakPolarHBondContact CG-OD2 3.36Å; K11-D174 IonicContact NZ-OD2 3.02Å; K11-D174 PolarHBondContact NZ-OD2 3.2Å; D94-D174 WeakPolarHBondContact CA-OD2 3.35Å; D94-D174 WeakPolarHBondContact OD1-CB 3.2Å; D94-D174 PolarHBondContact OD1-N 3.22Å; T95-D174 WeakPolarHBondContact CB-OD1 3.47Å; T95-D174 WeakPolarHBondContact CG2-OD1 3.28Å; T95-D174 WeakPolarHBondContact CG2-OD2 3.48Å; T95-D174 PolarHBondContact N-OD1 2.91Å; T95-D174 PolarHBondContact N-OD2 3.05Å; T95-D174 PolarHBondContact OG1-OD1 3.47Å; Y116-D174 HydrophobicContact CD1-CB 4.33Å; Y116-D174 HydrophobicContact CD2-CB 4.38Å; Y116-D174 HydrophobicContact CE1-CB 3.88Å; Y116-D174 HydrophobicContact CE2-CB 3.91Å; Y116-D174 WeakPolarHBondContact CE2-O 3.43Å; D174-E176 PolarHBondContact O-N 3.33Å
175L93.3Very high93.1Very high5 Ų539.9 Ų39.93%0.02621%0.214CC..THydrogen-bonded Turntrans-82.52.2-177.2-51.9-169.7000112.9F109 I112 Y116 I162 L165 A169 R173F109-L175 HydrophobicContact CD2-CD1 3.69Å; F109-L175 HydrophobicContact CE2-CD1 3.74Å; I112-L175 HydrophobicContact CB-CD2 4.48Å; I112-L175 HydrophobicContact CG2-CD1 4.15Å; I112-L175 HydrophobicContact CG2-CD2 3.42Å; I112-L175 VanDerWaalsContact CG2-CD2 3.42Å; I112-L175 HydrophobicContact CG2-CG 4.37Å; Y116-L175 HydrophobicContact CD2-CD2 3.94Å; Y116-L175 HydrophobicContact CE2-CD2 4.48Å; I162-L175 HydrophobicContact CD1-CB 4.44Å; L165-L175 HydrophobicContact CD1-CD1 4.13Å; A169-L175 HydrophobicContact CB-CB 3.72Å; R173-L175 VanDerWaalsContact C-N 3.27Å; R173-L175 PolarHBondContact O-N 3.49Å
176E92.3Very high93.3Very high23 Ų2339.2 Ų39.211%0.10721%0.21CC..SBendtrans-79.7139.9172.9-167.4-161.8155.100110.8K171 G172 R173 D174 R178 V179 I180K171-E176 WeakPolarHBondContact CA-OE2 3.4Å; G172-E176 PolarHBondContact N-OE2 3.07Å; R173-E176 VanDerWaalsContact O-CB 3.32Å; R173-E176 WeakPolarHBondContact O-CB 3.31Å; R173-E176 PolarHBondContact O-N 3.38Å; D174-E176 PolarHBondContact O-N 3.33Å; E176-R178 VanDerWaalsContact C-N 3.27Å; E176-R178 PolarHBondContact O-N 2.98Å; E176-R178 IonicContact OE1-CZ 3.37Å; E176-R178 IonicContact OE1-NE 2.6Å; E176-R178 PolarHBondContact OE1-NE 3.3Å; E176-R178 IonicContact OE1-NH2 3.88Å; E176-R178 PolarHBondContact OE1-NH2 2.7Å; E176-R178 IonicContact OE2-NE 3.57Å; E176-R178 IonicContact OE2-NH2 2.9Å; E176-V179 PolarHBondContact O-N 3.24Å; E176-V179 VanDerWaalsContact O-N 3.08Å; E176-I180 PolarHBondContact O-N 3.09Å
177P92.8Very high93.8Very high73 Ų7333.5 Ų33.547%0.47418%0.181SC..Hα-helixtrans-45.5-42.1-178.7-34.235.5000116V179 I180 D181P177-V179 PolarHBondContact O-N 3.31Å; P177-I180 WeakPolarHBondContact O-CG2 3.36Å; P177-D181 WeakPolarHBondContact O-CB 3.33Å; P177-D181 VanDerWaalsContact O-CG 3.25Å; P177-D181 PolarHBondContact O-N 3.47Å
178R94.3Very high94.1Very high61 Ų6130.5 Ų30.523%0.2316%0.161CC..Hα-helixtrans-64.4-42.1-177.4-70.5179.2-76-161.4-9.2113E176 T182 T226 T229E176-R178 VanDerWaalsContact C-N 3.27Å; E176-R178 PolarHBondContact O-N 2.98Å; E176-R178 IonicContact OE1-CZ 3.37Å; E176-R178 IonicContact OE1-NE 2.6Å; E176-R178 PolarHBondContact OE1-NE 3.3Å; E176-R178 IonicContact OE1-NH2 3.88Å; E176-R178 PolarHBondContact OE1-NH2 2.7Å; E176-R178 IonicContact OE2-NE 3.57Å; E176-R178 IonicContact OE2-NH2 2.9Å; R178-T182 WeakPolarHBondContact O-CB 3.25Å; R178-T182 PolarHBondContact O-N 2.95Å; R178-T182 PolarHBondContact O-OG1 2.91Å; R178-T226 HydrophobicContact CB-CG2 4.03Å; R178-T226 HydrophobicContact CG-CG2 4.24Å; R178-T226 VanDerWaalsContact O-CG2 3.29Å; R178-T226 WeakPolarHBondContact O-CG2 3.4Å; R178-T229 WeakPolarHBondContact CD-OG1 3.31Å; R178-T229 PolarHBondContact NH1-O 3.39Å; R178-T229 PolarHBondContact NH1-OG1 3.4Å
179V95.6Very high94.5Very high0 Ų025.5 Ų25.50%013%0.128CC..Hα-helixtrans-72.2-50.7-177.3179.70000109.3L96 R173 E176 P177 D181 T182 Y183 L230 W238L96-V179 HydrophobicContact CD1-CG1 4.41Å; L96-V179 HydrophobicContact CD1-CG2 4.04Å; R173-V179 WeakPolarHBondContact O-CG2 3.31Å; E176-V179 PolarHBondContact O-N 3.24Å; E176-V179 VanDerWaalsContact O-N 3.08Å; P177-V179 PolarHBondContact O-N 3.31Å; V179-D181 PolarHBondContact O-N 2.87Å; V179-T182 WeakPolarHBondContact O-CB 3.21Å; V179-T182 PolarHBondContact O-N 2.72Å; V179-Y183 HydrophobicContact CG1-CD2 3.97Å; V179-Y183 HydrophobicContact CG1-CE2 3.82Å; V179-Y183 WeakPolarHBondContact O-CD2 3.45Å; V179-Y183 PolarHBondContact O-N 2.92Å; V179-Y183 VanDerWaalsContact O-N 3.08Å; V179-L230 HydrophobicContact CG2-CD1 3.86Å; V179-W238 HydrophobicContact CG1-CH2 4.45Å; V179-W238 HydrophobicContact CG1-CZ3 4.17Å
180I96.8Very high94.9Very high0 Ų024.1 Ų24.10%012%0.117CC..Hα-helixtrans-64-38.3-179.7-164164.8000112.7Y116 F154 L157 K158 I162 E176 P177 T182 Y183 I184Y116-I180 HydrophobicContact CD2-CD1 4.23Å; Y116-I180 HydrophobicContact CE2-CB 4.15Å; Y116-I180 HydrophobicContact CE2-CD1 3.89Å; Y116-I180 HydrophobicContact CE2-CG1 3.88Å; F154-I180 HydrophobicContact CB-CD1 4.43Å; F154-I180 HydrophobicContact CB-CG1 4Å; F154-I180 HydrophobicContact CD1-CD1 4.42Å; F154-I180 HydrophobicContact CD1-CG1 4.13Å; F154-I180 HydrophobicContact CG-CG1 4.42Å; F154-I180 WeakPolarHBondContact O-CD1 3.49Å; L157-I180 HydrophobicContact CB-CD1 4.13Å; K158-I180 HydrophobicContact CB-CD1 4.1Å; K158-I180 HydrophobicContact CB-CG2 4.34Å; K158-I180 HydrophobicContact CD-CG2 4.48Å; K158-I180 HydrophobicContact CG-CG2 4.21Å; I162-I180 HydrophobicContact CD1-CD1 3.56Å; I162-I180 HydrophobicContact CD1-CG2 4.44Å; E176-I180 PolarHBondContact O-N 3.09Å; P177-I180 WeakPolarHBondContact O-CG2 3.36Å; I180-T182 VanDerWaalsContact C-N 3.3Å; I180-T182 PolarHBondContact O-N 2.83Å; I180-Y183 WeakPolarHBondContact O-CB 3.25Å; I180-Y183 PolarHBondContact O-N 3.39Å; I180-I184 WeakPolarHBondContact O-CG1 3.16Å; I180-I184 PolarHBondContact O-N 2.9Å
181D96.6Very high95.3Very high43 Ų4318.6 Ų18.623%0.239%0.091CC..Hα-helixtrans-63.2-38.6175.4-83.3-28.6000112.5K158 P177 V179 Y183 I184 V185 T226K158-D181 WeakPolarHBondContact CD-OD1 3.39Å; K158-D181 WeakPolarHBondContact CE-OD1 3.04Å; K158-D181 IonicContact NZ-OD1 3.79Å; K158-D181 PolarHBondContact NZ-OD1 2.87Å; K158-D181 IonicContact NZ-OD2 2.75Å; K158-D181 PolarHBondContact NZ-OD2 2.98Å; P177-D181 WeakPolarHBondContact O-CB 3.33Å; P177-D181 VanDerWaalsContact O-CG 3.25Å; P177-D181 PolarHBondContact O-N 3.47Å; V179-D181 PolarHBondContact O-N 2.87Å; D181-Y183 VanDerWaalsContact C-N 3.32Å; D181-Y183 PolarHBondContact O-N 2.7Å; D181-I184 PolarHBondContact O-N 2.78Å; D181-V185 WeakPolarHBondContact O-CG2 3.44Å; D181-V185 PolarHBondContact O-N 3.26Å; D181-T226 HydrophobicContact CB-CG2 4.24Å
182T97.4Very high95.7Very high0 Ų013.3 Ų13.30%07%0.068CC..Hα-helixtrans-64.3-40.8175.7-550000110.7R178 V179 I180 V185 Q186 A223 L227 W238 L242R178-T182 WeakPolarHBondContact O-CB 3.25Å; R178-T182 PolarHBondContact O-N 2.95Å; R178-T182 PolarHBondContact O-OG1 2.91Å; V179-T182 WeakPolarHBondContact O-CB 3.21Å; V179-T182 PolarHBondContact O-N 2.72Å; I180-T182 VanDerWaalsContact C-N 3.3Å; I180-T182 PolarHBondContact O-N 2.83Å; T182-V185 PolarHBondContact O-N 3.03Å; T182-Q186 WeakPolarHBondContact O-CB 3.43Å; T182-Q186 PolarHBondContact O-N 3.22Å; T182-A223 HydrophobicContact CG2-CB 3.93Å; T182-L227 HydrophobicContact CG2-CD1 3.8Å; T182-L227 HydrophobicContact CG2-CD2 3.97Å; T182-L227 HydrophobicContact CG2-CG 3.7Å; T182-L227 VanDerWaalsContact OG1-CD2 3.27Å; T182-L227 WeakPolarHBondContact OG1-CD2 3.46Å; T182-L227 WeakPolarHBondContact OG1-CG 3.08Å; T182-W238 HydrophobicContact CG2-CH2 3.49Å; T182-W238 VanDerWaalsContact CG2-CH2 3.49Å; T182-W238 HydrophobicContact CG2-CZ2 3.35Å; T182-W238 HydrophobicContact CG2-CZ3 4.15Å; T182-L242 HydrophobicContact CG2-CD1 3.92Å
183Y98.2Very high96.2Very high6 Ų613.2 Ų13.22%0.0247%0.067CC..Hα-helixtrans-63.2-42.4175.1-88.2-77.1000113.1N8 T95 Y116 F154 V179 I180 D181 Q186 C187 W238N8-Y183 WeakPolarHBondContact CB-OH 3.31Å; N8-Y183 PolarHBondContact ND2-OH 3.32Å; T95-Y183 WeakPolarHBondContact CB-OH 3.16Å; T95-Y183 WeakPolarHBondContact CG2-OH 3.36Å; T95-Y183 PolarHBondContact OG1-OH 3.48Å; Y116-Y183 HydrophobicContact CE1-CD2 4.33Å; Y116-Y183 HydrophobicContact CE1-CE2 4.2Å; Y116-Y183 AromaticContact CZ-CD2 3.9Å; Y116-Y183 WeakPolarHBondContact OH-CD2 3.48Å; Y116-Y183 WeakPolarHBondContact OH-CE2 3.46Å; F154-Y183 HydrophobicContact CE1-CG 4.46Å; F154-Y183 AromaticContact CE2-CD1 3.95Å; F154-Y183 HydrophobicContact CE2-CD1 3.95Å; F154-Y183 HydrophobicContact CE2-CG 4.13Å; F154-Y183 AromaticContact CZ-CD1 3.87Å; F154-Y183 HydrophobicContact CZ-CD1 3.87Å; F154-Y183 HydrophobicContact CZ-CG 4.02Å; V179-Y183 HydrophobicContact CG1-CD2 3.97Å; V179-Y183 HydrophobicContact CG1-CE2 3.82Å; V179-Y183 WeakPolarHBondContact O-CD2 3.45Å; V179-Y183 PolarHBondContact O-N 2.92Å; V179-Y183 VanDerWaalsContact O-N 3.08Å; I180-Y183 WeakPolarHBondContact O-CB 3.25Å; I180-Y183 PolarHBondContact O-N 3.39Å; D181-Y183 VanDerWaalsContact C-N 3.32Å; D181-Y183 PolarHBondContact O-N 2.7Å; Y183-Q186 PolarHBondContact O-N 3.42Å; Y183-C187 WeakPolarHBondContact O-CB 3.47Å; Y183-C187 PolarHBondContact O-N 3.17Å; Y183-C187 PolarHBondContact O-SG 3.05Å; Y183-W238 HydrophobicContact CD1-CZ2 4.49Å; Y183-W238 AromaticContact CD2-CH2 3.52Å; Y183-W238 HydrophobicContact CD2-CH2 3.52Å; Y183-W238 HydrophobicContact CD2-CZ2 4.16Å; Y183-W238 HydrophobicContact CD2-CZ3 4.43Å; Y183-W238 HydrophobicContact CE1-CZ2 4.47Å; Y183-W238 AromaticContact CE2-CH2 3.49Å; Y183-W238 HydrophobicContact CE2-CH2 3.49Å; Y183-W238 VanDerWaalsContact CE2-CH2 3.49Å; Y183-W238 HydrophobicContact CE2-CZ2 4.15Å; Y183-W238 HydrophobicContact CE2-CZ3 4.08Å; Y183-W238 HydrophobicContact CG-CH2 4.14Å; Y183-W238 HydrophobicContact CG-CZ2 4.35Å
184I98.2Very high96.3Very high13 Ų1313 Ų137%0.0677%0.067CC..Hα-helixtrans-57.6-54.3176-65.8164.5000109.6F154 K155 K158 I180 D181 Q186 C187 Q188F154-I184 HydrophobicContact CB-CD1 4.22Å; F154-I184 HydrophobicContact CB-CG1 3.45Å; F154-I184 VanDerWaalsContact CB-CG1 3.45Å; K155-I184 HydrophobicContact CB-CD1 4.15Å; K155-I184 HydrophobicContact CB-CG1 4.48Å; K158-I184 HydrophobicContact CB-CD1 4.47Å; K158-I184 HydrophobicContact CD-CD1 4.09Å; I180-I184 WeakPolarHBondContact O-CG1 3.16Å; I180-I184 PolarHBondContact O-N 2.9Å; D181-I184 PolarHBondContact O-N 2.78Å; I184-Q186 PolarHBondContact O-N 2.9Å; I184-C187 PolarHBondContact O-N 3.45Å; I184-Q188 WeakPolarHBondContact O-CG 3.47Å; I184-Q188 PolarHBondContact O-N 3.28Å; I184-Q188 VanDerWaalsContact O-N 3.16Å
185V97.9Very high96.3Very high8 Ų814.3 Ų14.35%0.0488%0.075CC..Hα-helixtrans-66.4-39.2-176.2177.90000111.5D181 T182 Q188 A189 F219 K222 A223D181-V185 WeakPolarHBondContact O-CG2 3.44Å; D181-V185 PolarHBondContact O-N 3.26Å; T182-V185 PolarHBondContact O-N 3.03Å; V185-Q188 PolarHBondContact O-N 3.39Å; V185-A189 WeakPolarHBondContact O-CB 3.44Å; V185-A189 PolarHBondContact O-N 3.01Å; V185-F219 HydrophobicContact CG1-CB 3.88Å; V185-F219 HydrophobicContact CG1-CD1 4.04Å; V185-F219 HydrophobicContact CG1-CG 4.4Å; V185-F219 WeakPolarHBondContact CG1-O 3.12Å; V185-K222 HydrophobicContact CG1-CB 4.41Å; V185-K222 HydrophobicContact CG2-CD 4.24Å; V185-A223 HydrophobicContact CB-CB 4.34Å; V185-A223 HydrophobicContact CG1-CB 4.04Å
186Q98.2Very high96.4Very high6 Ų614.2 Ų14.23%0.0288%0.075CC..Hα-helixtrans-61.5-44.7175174.5175.1-3900111.7T182 Y183 I184 Q188 A189 E190T182-Q186 WeakPolarHBondContact O-CB 3.43Å; T182-Q186 PolarHBondContact O-N 3.22Å; Y183-Q186 PolarHBondContact O-N 3.42Å; I184-Q186 PolarHBondContact O-N 2.9Å; Q186-Q188 VanDerWaalsContact C-N 3.28Å; Q186-Q188 PolarHBondContact O-N 3.46Å; Q186-A189 PolarHBondContact O-N 2.74Å; Q186-E190 HydrophobicContact CG-CG 4.09Å; Q186-E190 VanDerWaalsContact CG-OE1 3.32Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.13Å; Q186-E190 PolarHBondContact NE2-OE1 3.41Å; Q186-E190 WeakPolarHBondContact O-CB 3.41Å; Q186-E190 VanDerWaalsContact O-CG 3.31Å; Q186-E190 WeakPolarHBondContact O-CG 3.26Å; Q186-E190 PolarHBondContact O-N 3.18Å
187C98.4Very high96.4Very high1 Ų113.7 Ų13.71%0.0078%0.075CC..Hα-helixtrans-61.6-38.9179.2-70.30000111.6T123 L147 A151 Y183 I184 A191T123-C187 VanDerWaalsContact CG2-SG 3.57Å; L147-C187 WeakPolarHBondContact O-CB 3.45Å; A151-C187 HydrophobicContact CB-CB 3.64Å; Y183-C187 WeakPolarHBondContact O-CB 3.47Å; Y183-C187 PolarHBondContact O-N 3.17Å; Y183-C187 PolarHBondContact O-SG 3.05Å; I184-C187 PolarHBondContact O-N 3.45Å; C187-A191 WeakPolarHBondContact O-CB 3.27Å; C187-A191 PolarHBondContact O-N 2.97Å
188Q97.5Very high96.3Very high20 Ų2014 Ų149%0.0937%0.066CC..Hα-helixtrans-64.4-47.3173.9-65.6-179.3-87.700111.5A151 I184 V185 Q186 E190 A191 Q192 A351 P353A151-Q188 HydrophobicContact CB-CG 4.41Å; I184-Q188 WeakPolarHBondContact O-CG 3.47Å; I184-Q188 PolarHBondContact O-N 3.28Å; I184-Q188 VanDerWaalsContact O-N 3.16Å; V185-Q188 PolarHBondContact O-N 3.39Å; Q186-Q188 VanDerWaalsContact C-N 3.28Å; Q186-Q188 PolarHBondContact O-N 3.46Å; Q188-E190 PolarHBondContact O-N 3.19Å; Q188-A191 PolarHBondContact O-N 2.64Å; Q188-Q192 WeakPolarHBondContact O-CB 3.42Å; Q188-Q192 PolarHBondContact O-N 3.12Å; Q188-A351 PolarHBondContact NE2-O 2.86Å; Q188-P353 HydrophobicContact CG-CG 4.35Å
189A97.8Very high96.3Very high0 Ų011.3 Ų11.30%06%0.058CC..Hα-helixtrans-60-45.8178.900000112V185 Q186 A191 Q192 E193 F219 Y220V185-A189 WeakPolarHBondContact O-CB 3.44Å; V185-A189 PolarHBondContact O-N 3.01Å; Q186-A189 PolarHBondContact O-N 2.74Å; A189-A191 PolarHBondContact O-N 3Å; A189-Q192 VanDerWaalsContact O-CB 3.3Å; A189-Q192 WeakPolarHBondContact O-CB 3.35Å; A189-Q192 PolarHBondContact O-N 3.33Å; A189-Q192 VanDerWaalsContact O-N 3.15Å; A189-E193 WeakPolarHBondContact O-CG 3.36Å; A189-E193 PolarHBondContact O-N 2.96Å; A189-F219 HydrophobicContact CB-CB 3.7Å; A189-Y220 HydrophobicContact CB-CD1 4.09Å; A189-Y220 HydrophobicContact CB-CD2 3.91Å; A189-Y220 HydrophobicContact CB-CE1 3.77Å; A189-Y220 HydrophobicContact CB-CE2 3.57Å; A189-Y220 HydrophobicContact CB-CG 4.14Å; A189-Y220 VanDerWaalsContact CB-CZ 3.47Å
190E97.9Very high96.1Very high0 Ų013.2 Ų13.20%07%0.067CC..Hα-helixtrans-66-37.5178.8-70.3179.2177.200112.1F5 R7 L147 Q186 Q188 Q192 E193 Y220 Y241F5-E190 HydrophobicContact CD1-CB 4.07Å; F5-E190 HydrophobicContact CD1-CG 3.59Å; F5-E190 HydrophobicContact CE1-CB 3.8Å; F5-E190 HydrophobicContact CE1-CG 3.8Å; F5-E190 HydrophobicContact CG-CG 4.12Å; F5-E190 HydrophobicContact CZ-CB 4.05Å; F5-E190 HydrophobicContact CZ-CG 4.48Å; R7-E190 IonicContact CZ-OE1 3.06Å; R7-E190 IonicContact CZ-OE2 3.46Å; R7-E190 VanDerWaalsContact CZ-OE2 3.22Å; R7-E190 VanDerWaalsContact NH1-CD 3.28Å; R7-E190 IonicContact NH1-OE1 3.43Å; R7-E190 PolarHBondContact NH1-OE1 3.42Å; R7-E190 IonicContact NH1-OE2 2.68Å; R7-E190 PolarHBondContact NH1-OE2 2.87Å; R7-E190 IonicContact NH2-OE1 3.33Å; R7-E190 IonicContact NH2-OE2 3.49Å; R7-E190 PolarHBondContact NH2-OE2 3.35Å; L147-E190 HydrophobicContact CD1-CB 3.76Å; L147-E190 HydrophobicContact CD2-CB 4.13Å; L147-E190 WeakPolarHBondContact CD2-OE2 3.34Å; Q186-E190 HydrophobicContact CG-CG 4.09Å; Q186-E190 VanDerWaalsContact CG-OE1 3.32Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.13Å; Q186-E190 PolarHBondContact NE2-OE1 3.41Å; Q186-E190 WeakPolarHBondContact O-CB 3.41Å; Q186-E190 VanDerWaalsContact O-CG 3.31Å; Q186-E190 WeakPolarHBondContact O-CG 3.26Å; Q186-E190 PolarHBondContact O-N 3.18Å; Q188-E190 PolarHBondContact O-N 3.19Å; E190-Q192 VanDerWaalsContact C-N 3.32Å; E190-E193 WeakPolarHBondContact O-CB 3.04Å; E190-E193 PolarHBondContact O-N 2.67Å; E190-Y220 WeakPolarHBondContact CG-OH 3.5Å; E190-Y241 PolarHBondContact OE1-OH 3.19Å
191A97.1Very high95.8Very high0 Ų019.2 Ų19.20%010%0.095CC..Hα-helixtrans-65.5-39.1172.400000111H144 L147 K148 C187 Q188 A189 E193 V194 T195 A351H144-A191 PolarHBondContact CD2-O 3.33Å; L147-A191 HydrophobicContact CB-CB 3.96Å; L147-A191 HydrophobicContact CD1-CB 4.38Å; K148-A191 HydrophobicContact CG-CB 4Å; C187-A191 WeakPolarHBondContact O-CB 3.27Å; C187-A191 PolarHBondContact O-N 2.97Å; Q188-A191 PolarHBondContact O-N 2.64Å; A189-A191 PolarHBondContact O-N 3Å; A191-E193 VanDerWaalsContact C-N 3.27Å; A191-E193 PolarHBondContact O-N 2.97Å; A191-V194 WeakPolarHBondContact O-CB 3.33Å; A191-V194 PolarHBondContact O-N 3.24Å; A191-V194 VanDerWaalsContact O-N 3.08Å; A191-T195 PolarHBondContact O-N 3.13Å; A191-T195 PolarHBondContact O-OG1 3.26Å; A191-A351 HydrophobicContact CB-CB 3.77Å
192Q95.7Very high95.6Very high0 Ų021.4 Ų21.40%011%0.107CC..Hα-helixtrans-63-32.7177.4-157.66615.100112.3Q188 A189 E190 V194 T195 I196 T216 G349 A351Q188-Q192 WeakPolarHBondContact O-CB 3.42Å; Q188-Q192 PolarHBondContact O-N 3.12Å; A189-Q192 VanDerWaalsContact O-CB 3.3Å; A189-Q192 WeakPolarHBondContact O-CB 3.35Å; A189-Q192 PolarHBondContact O-N 3.33Å; A189-Q192 VanDerWaalsContact O-N 3.15Å; E190-Q192 VanDerWaalsContact C-N 3.32Å; Q192-V194 VanDerWaalsContact C-N 3.29Å; Q192-V194 PolarHBondContact O-N 3.33Å; Q192-T195 WeakPolarHBondContact O-CB 3.34Å; Q192-T195 PolarHBondContact O-N 2.61Å; Q192-I196 WeakPolarHBondContact O-CG1 3.3Å; Q192-I196 PolarHBondContact O-N 3.08Å; Q192-T216 HydrophobicContact CB-CG2 4.45Å; Q192-T216 WeakPolarHBondContact CB-OG1 3.34Å; Q192-T216 WeakPolarHBondContact CG-OG1 3.5Å; Q192-G349 PolarHBondContact NE2-O 2.86Å; Q192-G349 PolarHBondContact OE1-O 3.2Å; Q192-A351 VanDerWaalsContact OE1-CB 3.24Å
193E96.4Very high95.4Very high0 Ų030.2 Ų30.20%015%0.145CC..Hα-helixtrans-56.6-43171.5-57.9-158.5-16200112.2H3 F5 A189 E190 A191 T195 I196 A197 T216 Y220 K245 Y249H3-E193 PolarHBondContact CE1-O 3.28Å; H3-E193 IonicContact ND1-OE2 3.42Å; H3-E193 PolarHBondContact ND1-OE2 3.09Å; F5-E193 HydrophobicContact CE1-CG 4.33Å; A189-E193 WeakPolarHBondContact O-CG 3.36Å; A189-E193 PolarHBondContact O-N 2.96Å; E190-E193 WeakPolarHBondContact O-CB 3.04Å; E190-E193 PolarHBondContact O-N 2.67Å; A191-E193 VanDerWaalsContact C-N 3.27Å; A191-E193 PolarHBondContact O-N 2.97Å; E193-T195 VanDerWaalsContact C-N 3.34Å; E193-I196 PolarHBondContact O-N 3.05Å; E193-A197 PolarHBondContact O-N 3.36Å; E193-T216 HydrophobicContact CG-CG2 4.38Å; E193-Y220 PolarHBondContact OE1-OH 3.5Å; E193-K245 VanDerWaalsContact CD-NZ 3.29Å; E193-K245 WeakPolarHBondContact OE1-CD 3.34Å; E193-K245 VanDerWaalsContact OE1-CE 3.28Å; E193-K245 WeakPolarHBondContact OE1-CE 3.45Å; E193-K245 IonicContact OE1-NZ 3.59Å; E193-K245 PolarHBondContact OE1-NZ 2.97Å; E193-K245 IonicContact OE2-NZ 2.6Å; E193-K245 PolarHBondContact OE2-NZ 2.98Å; E193-Y249 WeakPolarHBondContact CB-OH 3.23Å; E193-Y249 HydrophobicContact CG-CE1 4.29Å; E193-Y249 HydrophobicContact CG-CE2 3.49Å; E193-Y249 VanDerWaalsContact CG-CE2 3.49Å; E193-Y249 WeakPolarHBondContact CG-OH 3.37Å; E193-Y249 WeakPolarHBondContact OE1-CE2 3.34Å; E193-Y249 PolarHBondContact OE2-OH 3.4Å
194V95.1Very high95.2Very high13 Ų1333.5 Ų33.58%0.07916%0.16CC..Hα-helixtrans-67.2-39.6178.7-1740000110.3A140 V143 H144 A191 Q192 I196 A197 R198A140-V194 HydrophobicContact CB-CG1 4.2Å; V143-V194 HydrophobicContact CB-CG2 4.47Å; V143-V194 HydrophobicContact CG1-CG2 3.7Å; H144-V194 HydrophobicContact CB-CB 4.31Å; H144-V194 HydrophobicContact CB-CG1 4.09Å; A191-V194 WeakPolarHBondContact O-CB 3.33Å; A191-V194 PolarHBondContact O-N 3.24Å; A191-V194 VanDerWaalsContact O-N 3.08Å; Q192-V194 VanDerWaalsContact C-N 3.29Å; Q192-V194 PolarHBondContact O-N 3.33Å; V194-I196 PolarHBondContact O-N 3.21Å; V194-A197 PolarHBondContact O-N 2.86Å; V194-R198 WeakPolarHBondContact O-CB 3.25Å; V194-R198 PolarHBondContact O-N 3.12Å
195T94.7Very high95Very high28 Ų2837.7 Ų37.717%0.17218%0.183CC..Hα-helixtrans-61.1-43.4174.6-54.80000111.8A191 Q192 E193 R198 A199 L212 G349A191-T195 PolarHBondContact O-N 3.13Å; A191-T195 PolarHBondContact O-OG1 3.26Å; Q192-T195 WeakPolarHBondContact O-CB 3.34Å; Q192-T195 PolarHBondContact O-N 2.61Å; E193-T195 VanDerWaalsContact C-N 3.34Å; T195-R198 PolarHBondContact O-N 2.91Å; T195-A199 WeakPolarHBondContact O-CB 3.31Å; T195-A199 PolarHBondContact O-N 3.48Å; T195-L212 HydrophobicContact CG2-CD1 4.43Å; T195-G349 WeakPolarHBondContact CG2-O 3.5Å
196I95.2Very high94.8Very high3 Ų338 Ų382%0.01519%0.186CC..Hα-helixtrans-61.3-48.7176-70162.7000110.5Q192 E193 V194 R198 A199 I200 I209 L212 A213 T216 Y249Q192-I196 WeakPolarHBondContact O-CG1 3.3Å; Q192-I196 PolarHBondContact O-N 3.08Å; E193-I196 PolarHBondContact O-N 3.05Å; V194-I196 PolarHBondContact O-N 3.21Å; I196-R198 VanDerWaalsContact C-N 3.27Å; I196-R198 PolarHBondContact O-N 2.68Å; I196-A199 PolarHBondContact O-N 2.69Å; I196-A199 VanDerWaalsContact O-N 3.14Å; I196-I200 HydrophobicContact CG2-CD1 3.82Å; I196-I200 HydrophobicContact CG2-CG1 4.48Å; I196-I200 VanDerWaalsContact O-CG1 3.32Å; I196-I200 WeakPolarHBondContact O-CG1 3.19Å; I196-I200 PolarHBondContact O-N 2.87Å; I196-I209 HydrophobicContact CG2-CG2 4.34Å; I196-L212 HydrophobicContact CD1-CB 4.29Å; I196-L212 HydrophobicContact CG1-CB 3.64Å; I196-A213 HydrophobicContact CD1-CB 4.16Å; I196-T216 HydrophobicContact CD1-CG2 4.49Å; I196-T216 VanDerWaalsContact CD1-OG1 3.29Å; I196-T216 WeakPolarHBondContact CD1-OG1 3.42Å; I196-Y249 HydrophobicContact CD1-CD1 3.81Å; I196-Y249 HydrophobicContact CD1-CE1 3.7Å
197A93.1Very high94.6Very high12 Ų1240.4 Ų40.410%0.09920%0.202CC..Hα-helixtrans-58.3-41.2178.600000111.7M1 E193 V194 I200 E201M1-A197 HydrophobicContact CB-CB 3.82Å; M1-A197 HydrophobicContact CE-CB 4.32Å; M1-A197 HydrophobicContact SD-CB 4.24Å; E193-A197 PolarHBondContact O-N 3.36Å; V194-A197 PolarHBondContact O-N 2.86Å; A197-I200 PolarHBondContact O-N 2.95Å; A197-E201 WeakPolarHBondContact O-CB 3.42Å; A197-E201 PolarHBondContact O-N 3.41Å
198R91.3Very high94.3Very high79 Ų7941 Ų4130%0.29820%0.204SC..Hα-helixtrans-68.3-39.9175.6-17655.3173.2-179.2-4.3112.4E137 V194 T195 I196 I200 E201 L202E137-R198 IonicContact OE1-NH2 3.31Å; E137-R198 PolarHBondContact OE1-NH2 3.27Å; E137-R198 IonicContact OE2-NH1 2.72Å; E137-R198 IonicContact OE2-NH2 2.96Å; V194-R198 WeakPolarHBondContact O-CB 3.25Å; V194-R198 PolarHBondContact O-N 3.12Å; T195-R198 PolarHBondContact O-N 2.91Å; I196-R198 VanDerWaalsContact C-N 3.27Å; I196-R198 PolarHBondContact O-N 2.68Å; R198-I200 VanDerWaalsContact C-N 3.29Å; R198-I200 PolarHBondContact O-N 3.19Å; R198-E201 WeakPolarHBondContact CD-OE2 3.09Å; R198-E201 IonicContact CZ-OE2 3.27Å; R198-E201 IonicContact NH1-OE1 2.68Å; R198-E201 PolarHBondContact NH1-OE1 2.95Å; R198-E201 IonicContact NH1-OE2 2.87Å; R198-E201 PolarHBondContact NH1-OE2 3.33Å; R198-E201 PolarHBondContact O-N 2.99Å; R198-L202 HydrophobicContact CG-CD1 3.99Å; R198-L202 HydrophobicContact CG-CG 4.36Å; R198-L202 WeakPolarHBondContact O-CB 3.46Å; R198-L202 WeakPolarHBondContact O-CG 3.27Å; R198-L202 PolarHBondContact O-N 3.47Å
199A92.8Very high94.2Very high6 Ų640.2 Ų40.25%0.0520%0.201CC..Hα-helixtrans-61.9-39.2177.200000111.7T195 I196 K203 H204 I209 L212T195-A199 WeakPolarHBondContact O-CB 3.31Å; T195-A199 PolarHBondContact O-N 3.48Å; I196-A199 PolarHBondContact O-N 2.69Å; I196-A199 VanDerWaalsContact O-N 3.14Å; A199-K203 PolarHBondContact O-N 3.1Å; A199-H204 HydrophobicContact CB-CB 4.4Å; A199-H204 PolarHBondContact O-N 3.2Å; A199-I209 HydrophobicContact CB-CG1 4.18Å; A199-L212 HydrophobicContact CB-CD1 3.99Å
200I92.7Very high94.1Very high39 Ų3940.2 Ų40.220%0.220%0.201CC..Hα-helixtrans-65.7-46174.1-65.7166.4000110.9M1 I196 A197 R198 L202 K203 I209 Y252 Y256M1-I200 HydrophobicContact CE-CD1 4.22Å; I196-I200 HydrophobicContact CG2-CD1 3.82Å; I196-I200 HydrophobicContact CG2-CG1 4.48Å; I196-I200 VanDerWaalsContact O-CG1 3.32Å; I196-I200 WeakPolarHBondContact O-CG1 3.19Å; I196-I200 PolarHBondContact O-N 2.87Å; A197-I200 PolarHBondContact O-N 2.95Å; R198-I200 VanDerWaalsContact C-N 3.29Å; R198-I200 PolarHBondContact O-N 3.19Å; I200-L202 VanDerWaalsContact C-N 3.35Å; I200-L202 PolarHBondContact O-N 3.08Å; I200-K203 PolarHBondContact O-N 3.39Å; I200-I209 HydrophobicContact CD1-CG2 4.21Å; I200-I209 HydrophobicContact CG1-CD1 3.88Å; I200-I209 HydrophobicContact CG1-CG1 4.31Å; I200-I209 HydrophobicContact CG1-CG2 3.89Å; I200-Y252 HydrophobicContact CD1-CE1 3.93Å; I200-Y256 HydrophobicContact CD1-CE2 4.23Å; I200-Y256 WeakPolarHBondContact CD1-OH 3.38Å; I200-Y256 WeakPolarHBondContact CG1-OH 3.47Å
201E90.6Very high94Very high126 Ų12640.4 Ų40.459%0.58920%0.202SC*.Hα-helixtrans-60.9-42.8179.2-174.1-173.1-171.400112.3A197 R198 K203A197-E201 WeakPolarHBondContact O-CB 3.42Å; A197-E201 PolarHBondContact O-N 3.41Å; R198-E201 WeakPolarHBondContact CD-OE2 3.09Å; R198-E201 IonicContact CZ-OE2 3.27Å; R198-E201 IonicContact NH1-OE1 2.68Å; R198-E201 PolarHBondContact NH1-OE1 2.95Å; R198-E201 IonicContact NH1-OE2 2.87Å; R198-E201 PolarHBondContact NH1-OE2 3.33Å; R198-E201 PolarHBondContact O-N 2.99Å; E201-K203 PolarHBondContact O-N 3.35Å
202L91.8Very high94Very high90 Ų9040.5 Ų40.547%0.47120%0.203SC..THydrogen-bonded Turntrans-76.93.4175.7-68.3178.6000113.5R198 I200 H204R198-L202 HydrophobicContact CG-CD1 3.99Å; R198-L202 HydrophobicContact CG-CG 4.36Å; R198-L202 WeakPolarHBondContact O-CB 3.46Å; R198-L202 WeakPolarHBondContact O-CG 3.27Å; R198-L202 PolarHBondContact O-N 3.47Å; I200-L202 VanDerWaalsContact C-N 3.35Å; I200-L202 PolarHBondContact O-N 3.08Å; L202-H204 VanDerWaalsContact C-N 3.28Å; L202-H204 PolarHBondContact O-N 3.33Å
203K93.1Very high94Very high185 Ų18540.5 Ų40.580%0.80420%0.203SC*.THydrogen-bonded Turntrans55.139.6178.1-54.4179.9-179.5178.10113.3A199 I200 E201A199-K203 PolarHBondContact O-N 3.1Å; I200-K203 PolarHBondContact O-N 3.39Å; E201-K203 PolarHBondContact O-N 3.35Å
204H93.8Very high94.1Very high74 Ų7441.9 Ų41.934%0.34321%0.209SC..  trans-61160.6170.7-78.5-88.3000111.4A199 L202 A206 L208 I209A199-H204 HydrophobicContact CB-CB 4.4Å; A199-H204 PolarHBondContact O-N 3.2Å; L202-H204 VanDerWaalsContact C-N 3.28Å; L202-H204 PolarHBondContact O-N 3.33Å; H204-A206 PolarHBondContact O-N 3.36Å; H204-L208 HydrophobicContact CB-CD2 3.76Å; H204-I209 WeakPolarHBondContact O-CD1 3.43Å
205N93.1Very high94.1Very high101 Ų10143.1 Ų43.154%0.5421%0.214SC..  trans-55.7137.7177.8-178.3-6.3000111.3T207 L208 I209N205-T207 PolarHBondContact O-N 2.92Å; N205-T207 VanDerWaalsContact O-N 3.16Å; N205-T207 PolarHBondContact OD1-N 3.37Å; N205-T207 PolarHBondContact OD1-OG1 3.35Å; N205-L208 WeakPolarHBondContact O-CB 3.46Å; N205-L208 PolarHBondContact O-N 3.26Å; N205-I209 PolarHBondContact O-N 2.81Å
206A93.8Very high94.2Very high14 Ų1441.8 Ų41.812%0.11621%0.206CC..Hα-helixtrans-51.1-34.1173.800000113.4H204 L208 I209 A210 Y256 Q259H204-A206 PolarHBondContact O-N 3.36Å; A206-L208 PolarHBondContact O-N 3.03Å; A206-I209 PolarHBondContact O-N 3.42Å; A206-A210 WeakPolarHBondContact O-CB 3.44Å; A206-A210 PolarHBondContact O-N 3.05Å; A206-Y256 HydrophobicContact CB-CD1 3.92Å; A206-Q259 HydrophobicContact CB-CB 4.02Å
207T93.9Very high94.3Very high58 Ų5841.7 Ų41.736%0.35621%0.205SC..Hα-helixtrans-60.3-43.9176.6-48.70000112.2N205 A211 T260N205-T207 PolarHBondContact O-N 2.92Å; N205-T207 VanDerWaalsContact O-N 3.16Å; N205-T207 PolarHBondContact OD1-N 3.37Å; N205-T207 PolarHBondContact OD1-OG1 3.35Å; T207-A211 WeakPolarHBondContact O-CB 3.43Å; T207-A211 PolarHBondContact O-N 3.29Å; T207-A211 VanDerWaalsContact O-N 3.08Å; T207-T260 WeakPolarHBondContact CA-OG1 3.17Å; T207-T260 PolarHBondContact N-OG1 2.87Å; T207-T260 WeakPolarHBondContact OG1-CG2 3.14Å; T207-T260 PolarHBondContact OG1-OG1 3.16Å
208L93.8Very high94.5Very high12 Ų1243.1 Ų43.16%0.06321%0.211CC..Hα-helixtrans-64.8-47.8176.3175.474.5000110.4H204 N205 A206 A210 A211 L212 Y348H204-L208 HydrophobicContact CB-CD2 3.76Å; N205-L208 WeakPolarHBondContact O-CB 3.46Å; N205-L208 PolarHBondContact O-N 3.26Å; A206-L208 PolarHBondContact O-N 3.03Å; L208-A210 VanDerWaalsContact C-N 3.27Å; L208-A210 PolarHBondContact O-N 2.89Å; L208-A211 PolarHBondContact O-N 2.81Å; L208-A211 VanDerWaalsContact O-N 3.11Å; L208-L212 HydrophobicContact CD1-CD1 4.26Å; L208-L212 HydrophobicContact CD1-CG 4.2Å; L208-L212 HydrophobicContact CD2-CD1 4.09Å; L208-L212 HydrophobicContact CG-CD1 3.82Å; L208-L212 HydrophobicContact CG-CG 4.17Å; L208-L212 WeakPolarHBondContact O-CG 3.31Å; L208-L212 PolarHBondContact O-N 2.68Å; L208-Y348 HydrophobicContact CD1-CD1 4.2Å; L208-Y348 HydrophobicContact CD1-CD2 3.84Å; L208-Y348 HydrophobicContact CD1-CE1 3.84Å; L208-Y348 HydrophobicContact CD1-CE2 3.5Å; L208-Y348 VanDerWaalsContact CD1-CE2 3.5Å; L208-Y348 HydrophobicContact CD1-CG 4.19Å; L208-Y348 VanDerWaalsContact CD1-CZ 3.47Å; L208-Y348 HydrophobicContact CD2-CD2 4.06Å; L208-Y348 HydrophobicContact CD2-CE2 3.15Å; L208-Y348 WeakPolarHBondContact CD2-OH 3.32Å; L208-Y348 HydrophobicContact CG-CE2 3.88Å
209I95.5Very high94.8Very high4 Ų441 Ų412%0.02120%0.204CC..Hα-helixtrans-61.5-41-176.9-62.2164.3000110.3I196 A199 I200 H204 N205 A206 L212 A213 Y256I196-I209 HydrophobicContact CG2-CG2 4.34Å; A199-I209 HydrophobicContact CB-CG1 4.18Å; I200-I209 HydrophobicContact CD1-CG2 4.21Å; I200-I209 HydrophobicContact CG1-CD1 3.88Å; I200-I209 HydrophobicContact CG1-CG1 4.31Å; I200-I209 HydrophobicContact CG1-CG2 3.89Å; H204-I209 WeakPolarHBondContact O-CD1 3.43Å; N205-I209 PolarHBondContact O-N 2.81Å; A206-I209 PolarHBondContact O-N 3.42Å; I209-L212 PolarHBondContact O-N 3.47Å; I209-A213 WeakPolarHBondContact O-CB 3.48Å; I209-A213 PolarHBondContact O-N 3.44Å; I209-Y256 HydrophobicContact CB-CD1 3.81Å; I209-Y256 HydrophobicContact CB-CD2 4.49Å; I209-Y256 HydrophobicContact CB-CE1 4.13Å; I209-Y256 HydrophobicContact CB-CG 3.98Å; I209-Y256 HydrophobicContact CD1-CD1 4Å; I209-Y256 HydrophobicContact CD1-CE1 3.62Å; I209-Y256 HydrophobicContact CG1-CE1 4.48Å; I209-Y256 HydrophobicContact CG2-CD1 3.7Å; I209-Y256 HydrophobicContact CG2-CD2 3.6Å; I209-Y256 HydrophobicContact CG2-CE1 3.79Å; I209-Y256 HydrophobicContact CG2-CE2 3.71Å; I209-Y256 HydrophobicContact CG2-CG 3.59Å
210A95.6Very high95.1Very high0 Ų040.7 Ų40.70%020%0.202CC..Hα-helixtrans-60.4-44.8174.300000111.8A206 L208 A213 F214 H257 L344A206-A210 WeakPolarHBondContact O-CB 3.44Å; A206-A210 PolarHBondContact O-N 3.05Å; L208-A210 VanDerWaalsContact C-N 3.27Å; L208-A210 PolarHBondContact O-N 2.89Å; A210-A213 PolarHBondContact O-N 3.02Å; A210-F214 WeakPolarHBondContact O-CB 3.43Å; A210-F214 PolarHBondContact O-N 3.37Å; A210-H257 HydrophobicContact CB-CB 4.25Å; A210-L344 HydrophobicContact CB-CD1 3.66Å
211A95.6Very high95.3Very high4 Ų444.1 Ų44.13%0.03322%0.217CC..Hα-helixtrans-66-44178.700000112.5T207 L208 A213 F214 E215 L344 A346T207-A211 WeakPolarHBondContact O-CB 3.43Å; T207-A211 PolarHBondContact O-N 3.29Å; T207-A211 VanDerWaalsContact O-N 3.08Å; L208-A211 PolarHBondContact O-N 2.81Å; L208-A211 VanDerWaalsContact O-N 3.11Å; A211-A213 VanDerWaalsContact C-N 3.34Å; A211-A213 PolarHBondContact O-N 3.27Å; A211-F214 PolarHBondContact O-N 3.29Å; A211-E215 WeakPolarHBondContact O-CG 3.18Å; A211-E215 PolarHBondContact O-N 3.39Å; A211-L344 HydrophobicContact CB-CB 3.94Å; A211-A346 HydrophobicContact CB-CB 4.17Å
212L96.1Very high95.6Very high2 Ų244.4 Ų44.41%0.0122%0.216CC..Hα-helixtrans-60-44.8175.1-66.7169.8000111T195 I196 A199 L208 I209 E215 T216 A346 Y348T195-L212 HydrophobicContact CG2-CD1 4.43Å; I196-L212 HydrophobicContact CD1-CB 4.29Å; I196-L212 HydrophobicContact CG1-CB 3.64Å; A199-L212 HydrophobicContact CB-CD1 3.99Å; L208-L212 HydrophobicContact CD1-CD1 4.26Å; L208-L212 HydrophobicContact CD1-CG 4.2Å; L208-L212 HydrophobicContact CD2-CD1 4.09Å; L208-L212 HydrophobicContact CG-CD1 3.82Å; L208-L212 HydrophobicContact CG-CG 4.17Å; L208-L212 WeakPolarHBondContact O-CG 3.31Å; L208-L212 PolarHBondContact O-N 2.68Å; I209-L212 PolarHBondContact O-N 3.47Å; L212-E215 PolarHBondContact O-N 3.16Å; L212-T216 PolarHBondContact O-N 2.87Å; L212-T216 PolarHBondContact O-OG1 3.47Å; L212-A346 HydrophobicContact CD2-CB 3.8Å; L212-A346 HydrophobicContact CG-CB 4.35Å; L212-Y348 WeakPolarHBondContact CD2-O 3.47Å
213A96.8Very high95.8Very high0 Ų040.1 Ų40.10%019%0.194CC..Hα-helixtrans-65.3-38.4178.300000112.9I196 I209 A210 A211 T216 A217 Y249 A253I196-A213 HydrophobicContact CD1-CB 4.16Å; I209-A213 WeakPolarHBondContact O-CB 3.48Å; I209-A213 PolarHBondContact O-N 3.44Å; A210-A213 PolarHBondContact O-N 3.02Å; A211-A213 VanDerWaalsContact C-N 3.34Å; A211-A213 PolarHBondContact O-N 3.27Å; A213-T216 PolarHBondContact O-N 2.88Å; A213-A217 PolarHBondContact O-N 3.26Å; A213-Y249 HydrophobicContact CB-CD1 4.42Å; A213-A253 HydrophobicContact CB-CB 4.04Å
214F96.9Very high95.9Very high29 Ų2932.4 Ų32.413%0.12716%0.161CC..Hα-helixtrans-63.8-47.2176.4-177.3-108.6000111.6A210 A211 T216 A217 N218 M250 A253 L342 L344A210-F214 WeakPolarHBondContact O-CB 3.43Å; A210-F214 PolarHBondContact O-N 3.37Å; A211-F214 PolarHBondContact O-N 3.29Å; F214-T216 VanDerWaalsContact C-N 3.33Å; F214-T216 PolarHBondContact O-N 2.82Å; F214-A217 WeakPolarHBondContact O-CB 3.47Å; F214-A217 PolarHBondContact O-N 3.16Å; F214-A217 VanDerWaalsContact O-N 3.15Å; F214-N218 WeakPolarHBondContact CD1-ND2 3.18Å; F214-N218 WeakPolarHBondContact CE1-ND2 3.4Å; F214-N218 VanDerWaalsContact O-CG 3.31Å; F214-N218 PolarHBondContact O-N 3.24Å; F214-N218 PolarHBondContact O-ND2 2.92Å; F214-M250 HydrophobicContact CD2-CE 3.99Å; F214-M250 HydrophobicContact CD2-SD 4.01Å; F214-M250 HydrophobicContact CE2-CE 3.89Å; F214-M250 HydrophobicContact CE2-SD 4.2Å; F214-A253 HydrophobicContact CB-CB 3.95Å; F214-L342 HydrophobicContact CD2-CB 3.76Å; F214-L342 HydrophobicContact CD2-CD1 3.8Å; F214-L342 HydrophobicContact CD2-CG 4.46Å; F214-L342 HydrophobicContact CE2-CB 3.57Å; F214-L342 HydrophobicContact CE2-CD1 4.22Å; F214-L342 HydrophobicContact CG-CB 4.43Å; F214-L342 HydrophobicContact CZ-CB 4.11Å; F214-L342 WeakPolarHBondContact CZ-O 3.09Å; F214-L344 HydrophobicContact CB-CB 4.26Å; F214-L344 HydrophobicContact CB-CD1 4.39Å; F214-L344 HydrophobicContact CD1-CB 4.12Å; F214-L344 VanDerWaalsContact CD1-O 3.27Å; F214-L344 WeakPolarHBondContact CD1-O 3.21Å; F214-L344 HydrophobicContact CG-CB 4.35Å
215E95.8Very high96Very high40 Ų4031 Ų3119%0.18717%0.167CC..Hα-helixtrans-63.1-39176.2-64.7-73.9-162.700111.7A211 L212 A217 N218 F219 A346 L350A211-E215 WeakPolarHBondContact O-CG 3.18Å; A211-E215 PolarHBondContact O-N 3.39Å; L212-E215 PolarHBondContact O-N 3.16Å; E215-A217 VanDerWaalsContact C-N 3.34Å; E215-A217 PolarHBondContact O-N 3.1Å; E215-N218 WeakPolarHBondContact O-CB 3.45Å; E215-N218 PolarHBondContact O-N 3.3Å; E215-F219 WeakPolarHBondContact O-CD2 3.19Å; E215-F219 PolarHBondContact O-N 3.33Å; E215-A346 HydrophobicContact CG-CB 4.28Å; E215-L350 HydrophobicContact CB-CD2 4.02Å; E215-L350 HydrophobicContact CG-CD2 4.15Å
216T97.5Very high96Very high0 Ų027.9 Ų27.90%015%0.151CC..Hα-helixtrans-59.1-44.3172.2-59.10000112Q192 E193 I196 L212 A213 F214 N218 F219 Y220 Y249Q192-T216 HydrophobicContact CB-CG2 4.45Å; Q192-T216 WeakPolarHBondContact CB-OG1 3.34Å; Q192-T216 WeakPolarHBondContact CG-OG1 3.5Å; E193-T216 HydrophobicContact CG-CG2 4.38Å; I196-T216 HydrophobicContact CD1-CG2 4.49Å; I196-T216 VanDerWaalsContact CD1-OG1 3.29Å; I196-T216 WeakPolarHBondContact CD1-OG1 3.42Å; L212-T216 PolarHBondContact O-N 2.87Å; L212-T216 PolarHBondContact O-OG1 3.47Å; A213-T216 PolarHBondContact O-N 2.88Å; F214-T216 VanDerWaalsContact C-N 3.33Å; F214-T216 PolarHBondContact O-N 2.82Å; T216-N218 VanDerWaalsContact C-N 3.3Å; T216-N218 PolarHBondContact O-N 3.36Å; T216-F219 PolarHBondContact O-N 3.26Å; T216-Y220 HydrophobicContact CG2-CD2 3.91Å; T216-Y220 HydrophobicContact CG2-CE2 3.66Å; T216-Y220 VanDerWaalsContact O-CD2 3.26Å; T216-Y220 WeakPolarHBondContact O-CD2 3.32Å; T216-Y220 PolarHBondContact O-N 3.5Å; T216-Y220 VanDerWaalsContact O-N 3.11Å; T216-Y249 HydrophobicContact CG2-CD1 3.9Å; T216-Y249 HydrophobicContact CG2-CD2 3.66Å; T216-Y249 HydrophobicContact CG2-CE1 4.31Å; T216-Y249 HydrophobicContact CG2-CE2 4.1Å; T216-Y249 HydrophobicContact CG2-CG 3.58Å
217A97.6Very high96Very high0 Ų027.2 Ų27.20%015%0.146CC..Hα-helixtrans-62.2-39.1176.700000111.6A213 F214 E215 Y220 Q221 Q246 M250A213-A217 PolarHBondContact O-N 3.26Å; F214-A217 WeakPolarHBondContact O-CB 3.47Å; F214-A217 PolarHBondContact O-N 3.16Å; F214-A217 VanDerWaalsContact O-N 3.15Å; E215-A217 VanDerWaalsContact C-N 3.34Å; E215-A217 PolarHBondContact O-N 3.1Å; A217-Y220 PolarHBondContact O-N 3.28Å; A217-Q221 WeakPolarHBondContact O-CB 3.26Å; A217-Q221 PolarHBondContact O-N 3.44Å; A217-Q246 WeakPolarHBondContact CB-O 3.27Å; A217-Q246 WeakPolarHBondContact O-CG 3.49Å; A217-M250 HydrophobicContact CB-CB 4.28Å; A217-M250 HydrophobicContact CB-CE 3.97Å
218N96.6Very high95.7Very high43 Ų4329 Ų2923%0.2315%0.153CC..Hα-helixtrans-66.3-38.8176.5-66-22.3000112.3F214 E215 T216 Q221 K222F214-N218 WeakPolarHBondContact CD1-ND2 3.18Å; F214-N218 WeakPolarHBondContact CE1-ND2 3.4Å; F214-N218 VanDerWaalsContact O-CG 3.31Å; F214-N218 PolarHBondContact O-N 3.24Å; F214-N218 PolarHBondContact O-ND2 2.92Å; E215-N218 WeakPolarHBondContact O-CB 3.45Å; E215-N218 PolarHBondContact O-N 3.3Å; T216-N218 VanDerWaalsContact C-N 3.3Å; T216-N218 PolarHBondContact O-N 3.36Å; N218-Q221 PolarHBondContact O-N 2.98Å; N218-K222 WeakPolarHBondContact O-CB 3.31Å; N218-K222 PolarHBondContact O-N 3.26Å
219F97.4Very high95.3Very high34 Ų3432.1 Ų32.115%0.14917%0.173CC..Hα-helixtrans-60.3-48172.2-73-51000111.3V185 A189 E215 T216 Q221 K222 A223V185-F219 HydrophobicContact CG1-CB 3.88Å; V185-F219 HydrophobicContact CG1-CD1 4.04Å; V185-F219 HydrophobicContact CG1-CG 4.4Å; V185-F219 WeakPolarHBondContact CG1-O 3.12Å; A189-F219 HydrophobicContact CB-CB 3.7Å; E215-F219 WeakPolarHBondContact O-CD2 3.19Å; E215-F219 PolarHBondContact O-N 3.33Å; T216-F219 PolarHBondContact O-N 3.26Å; F219-Q221 VanDerWaalsContact C-N 3.32Å; F219-Q221 PolarHBondContact O-N 2.95Å; F219-K222 PolarHBondContact O-N 2.68Å; F219-A223 WeakPolarHBondContact O-CB 3.41Å; F219-A223 PolarHBondContact O-N 3.19Å
220Y98.2Very high94.9Very high0 Ų032.3 Ų32.30%017%0.174CC..Hα-helixtrans-62.7-37.9176.7-77.7-61.7000113A189 E190 E193 T216 A217 A223 D224 Y241 L242 K245 Y249A189-Y220 HydrophobicContact CB-CD1 4.09Å; A189-Y220 HydrophobicContact CB-CD2 3.91Å; A189-Y220 HydrophobicContact CB-CE1 3.77Å; A189-Y220 HydrophobicContact CB-CE2 3.57Å; A189-Y220 HydrophobicContact CB-CG 4.14Å; A189-Y220 VanDerWaalsContact CB-CZ 3.47Å; E190-Y220 WeakPolarHBondContact CG-OH 3.5Å; E193-Y220 PolarHBondContact OE1-OH 3.5Å; T216-Y220 HydrophobicContact CG2-CD2 3.91Å; T216-Y220 HydrophobicContact CG2-CE2 3.66Å; T216-Y220 VanDerWaalsContact O-CD2 3.26Å; T216-Y220 WeakPolarHBondContact O-CD2 3.32Å; T216-Y220 PolarHBondContact O-N 3.5Å; T216-Y220 VanDerWaalsContact O-N 3.11Å; A217-Y220 PolarHBondContact O-N 3.28Å; Y220-A223 PolarHBondContact O-N 3.31Å; Y220-D224 PolarHBondContact O-N 3.09Å; Y220-Y241 HydrophobicContact CE1-CE1 4.25Å; Y220-L242 HydrophobicContact CD1-CD2 3.73Å; Y220-L242 HydrophobicContact CE1-CD2 4.15Å; Y220-K245 HydrophobicContact CD1-CB 3.7Å; Y220-K245 HydrophobicContact CD1-CG 4.42Å; Y220-K245 HydrophobicContact CD2-CB 3.57Å; Y220-K245 HydrophobicContact CE1-CB 3.76Å; Y220-K245 HydrophobicContact CE1-CG 4.02Å; Y220-K245 HydrophobicContact CE2-CB 3.62Å; Y220-K245 HydrophobicContact CE2-CD 4.4Å; Y220-K245 HydrophobicContact CE2-CG 4.22Å; Y220-K245 HydrophobicContact CG-CB 3.62Å; Y220-Y249 HydrophobicContact CD2-CD2 4.22Å; Y220-Y249 AromaticContact CE2-CD2 3.94Å; Y220-Y249 HydrophobicContact CE2-CD2 3.94Å; Y220-Y249 HydrophobicContact CE2-CE2 4.2Å
221Q97.4Very high94.3Very high110 Ų11037.9 Ų37.951%0.51420%0.2SC..Hα-helixtrans-62-46.4174.2-168.4-177.543.300111.7A217 N218 F219 A223 D224 G225 Q246A217-Q221 WeakPolarHBondContact O-CB 3.26Å; A217-Q221 PolarHBondContact O-N 3.44Å; N218-Q221 PolarHBondContact O-N 2.98Å; F219-Q221 VanDerWaalsContact C-N 3.32Å; F219-Q221 PolarHBondContact O-N 2.95Å; Q221-A223 VanDerWaalsContact C-N 3.31Å; Q221-A223 PolarHBondContact O-N 3.08Å; Q221-D224 PolarHBondContact O-N 3.03Å; Q221-G225 PolarHBondContact O-N 2.77Å; Q221-Q246 HydrophobicContact CB-CG 3.89Å
222K96.5Very high93.6Very high132 Ų13241.2 Ų41.257%0.57422%0.221SC*.Hα-helixtrans-61.6-40.7177.7-177.9-179178.7-1770111.6V185 N218 F219 G225 T226V185-K222 HydrophobicContact CG1-CB 4.41Å; V185-K222 HydrophobicContact CG2-CD 4.24Å; N218-K222 WeakPolarHBondContact O-CB 3.31Å; N218-K222 PolarHBondContact O-N 3.26Å; F219-K222 PolarHBondContact O-N 2.68Å; K222-G225 PolarHBondContact O-N 2.95Å; K222-T226 PolarHBondContact O-N 2.75Å; K222-T226 PolarHBondContact O-OG1 3.43Å
223A96.1Very high92.8Very high0 Ų048.1 Ų48.10%025%0.254CS..Hα-helixtrans-62.5-47.8175.500000111.5T182 V185 F219 Y220 Q221 G225 T226 L227 L242T182-A223 HydrophobicContact CG2-CB 3.93Å; V185-A223 HydrophobicContact CB-CB 4.34Å; V185-A223 HydrophobicContact CG1-CB 4.04Å; F219-A223 WeakPolarHBondContact O-CB 3.41Å; F219-A223 PolarHBondContact O-N 3.19Å; Y220-A223 PolarHBondContact O-N 3.31Å; Q221-A223 VanDerWaalsContact C-N 3.31Å; Q221-A223 PolarHBondContact O-N 3.08Å; A223-G225 PolarHBondContact O-N 3.07Å; A223-T226 PolarHBondContact O-N 3.38Å; A223-L227 PolarHBondContact O-N 3.49Å; A223-L242 HydrophobicContact CB-CD1 3.89Å; A223-L242 HydrophobicContact CB-CD2 3.94Å; A223-L242 HydrophobicContact CB-CG 4.44Å
224D96.6Very high92Very high24 Ų2448.9 Ų48.913%0.12826%0.258CS..Hα-helixtrans-62.4-41.8176.6-177.951.2000112.3Y220 Q221 T226 L227 N228 R239 L242 Q243Y220-D224 PolarHBondContact O-N 3.09Å; Q221-D224 PolarHBondContact O-N 3.03Å; D224-T226 VanDerWaalsContact C-N 3.29Å; D224-T226 PolarHBondContact O-N 2.78Å; D224-L227 PolarHBondContact O-N 2.68Å; D224-N228 PolarHBondContact O-N 2.9Å; D224-N228 VanDerWaalsContact O-N 3.08Å; D224-R239 VanDerWaalsContact OD1-CB 3.3Å; D224-R239 WeakPolarHBondContact OD1-CB 3.37Å; D224-R239 WeakPolarHBondContact OD1-CG 3.14Å; D224-R239 IonicContact OD1-CZ 3.58Å; D224-R239 IonicContact OD1-NE 3.43Å; D224-R239 PolarHBondContact OD1-NE 3.31Å; D224-R239 IonicContact OD1-NH2 3.52Å; D224-R239 PolarHBondContact OD1-NH2 2.94Å; D224-R239 IonicContact OD2-NH2 3.48Å; D224-L242 HydrophobicContact CB-CB 4.05Å; D224-L242 HydrophobicContact CB-CD1 4.48Å; D224-Q243 HydrophobicContact CB-CG 4.37Å; D224-Q243 PolarHBondContact OD1-NE2 3.35Å; D224-Q243 WeakPolarHBondContact OD2-CG 3.4Å; D224-Q243 PolarHBondContact OD2-NE2 2.98Å
225G94.9Very high91.7Very high44 Ų4447.5 Ų47.545%0.45425%0.252SS..Hα-helixtrans-59-40.2177.600000112.7Q221 K222 A223 L227 N228Q221-G225 PolarHBondContact O-N 2.77Å; K222-G225 PolarHBondContact O-N 2.95Å; A223-G225 PolarHBondContact O-N 3.07Å; G225-L227 VanDerWaalsContact C-N 3.34Å; G225-L227 PolarHBondContact O-N 3.42Å; G225-N228 PolarHBondContact O-N 3.04Å
226T93.8Very high91.4Very high35 Ų3547.3 Ų47.322%0.21526%0.256CS..Hα-helixtrans-61.8-41.2176.7-54.20000111.8R178 D181 K222 A223 D224R178-T226 HydrophobicContact CB-CG2 4.03Å; R178-T226 HydrophobicContact CG-CG2 4.24Å; R178-T226 VanDerWaalsContact O-CG2 3.29Å; R178-T226 WeakPolarHBondContact O-CG2 3.4Å; D181-T226 HydrophobicContact CB-CG2 4.24Å; K222-T226 PolarHBondContact O-N 2.75Å; K222-T226 PolarHBondContact O-OG1 3.43Å; A223-T226 PolarHBondContact O-N 3.38Å; D224-T226 VanDerWaalsContact C-N 3.29Å; D224-T226 PolarHBondContact O-N 2.78Å
227L92.6Very high91.2Very high0 Ų047.5 Ų47.50%026%0.256CS..Hα-helixtrans-78.9-16.4-179.9-64.8-176.1000114.4T182 A223 D224 G225 T229 L230 W238 R239 L242T182-L227 HydrophobicContact CG2-CD1 3.8Å; T182-L227 HydrophobicContact CG2-CD2 3.97Å; T182-L227 HydrophobicContact CG2-CG 3.7Å; T182-L227 VanDerWaalsContact OG1-CD2 3.27Å; T182-L227 WeakPolarHBondContact OG1-CD2 3.46Å; T182-L227 WeakPolarHBondContact OG1-CG 3.08Å; A223-L227 PolarHBondContact O-N 3.49Å; D224-L227 PolarHBondContact O-N 2.68Å; G225-L227 VanDerWaalsContact C-N 3.34Å; G225-L227 PolarHBondContact O-N 3.42Å; L227-T229 PolarHBondContact O-N 3.18Å; L227-L230 HydrophobicContact CD2-CD1 3.69Å; L227-L230 WeakPolarHBondContact O-CB 3.28Å; L227-L230 PolarHBondContact O-N 3.39Å; L227-W238 HydrophobicContact CD1-CB 4.41Å; L227-W238 HydrophobicContact CD1-CD2 3.6Å; L227-W238 HydrophobicContact CD1-CE3 3.45Å; L227-W238 VanDerWaalsContact CD1-CE3 3.45Å; L227-W238 HydrophobicContact CD1-CG 4.03Å; L227-W238 HydrophobicContact CD1-CZ3 3.96Å; L227-W238 HydrophobicContact CD2-CE3 4Å; L227-W238 HydrophobicContact CD2-CH2 4.43Å; L227-W238 HydrophobicContact CD2-CZ3 3.75Å; L227-W238 HydrophobicContact CG-CE3 4.38Å; L227-W238 HydrophobicContact CG-CZ3 4.47Å; L227-R239 HydrophobicContact CB-CG 3.73Å; L227-R239 HydrophobicContact CD1-CG 3.79Å; L227-R239 HydrophobicContact CG-CG 4.48Å; L227-L242 HydrophobicContact CD1-CD1 3.73Å
228N88.2Confident91.1Very high96 Ų9647.5 Ų47.551%0.51326%0.257SS..THydrogen-bonded Turntrans-60.3-17.5-174-170.237.5000114.4D224 G225 R239D224-N228 PolarHBondContact O-N 2.9Å; D224-N228 VanDerWaalsContact O-N 3.08Å; G225-N228 PolarHBondContact O-N 3.04Å; N228-R239 PolarHBondContact OD1-NH1 2.6Å; N228-R239 PolarHBondContact OD1-NH2 3.35Å
229T84.6Confident91.1Very high78 Ų7847.4 Ų47.448%0.47925%0.253SS..THydrogen-bonded Turntrans-95-4.2179.663.30000113.8K171 R178 L227K171-T229 WeakPolarHBondContact CE-O 3.49Å; K171-T229 PolarHBondContact NZ-O 3.24Å; R178-T229 WeakPolarHBondContact CD-OG1 3.31Å; R178-T229 PolarHBondContact NH1-O 3.39Å; R178-T229 PolarHBondContact NH1-OG1 3.4Å; L227-T229 PolarHBondContact O-N 3.18Å
230L87.1Confident91Very high8 Ų848 Ų484%0.04226%0.255CS..SBendtrans-83.6162.4172.2-64.8-178.4000110.8L96 K171 V179 L227L96-L230 HydrophobicContact CD1-CD1 4.4Å; K171-L230 HydrophobicContact CG-CD2 4.15Å; V179-L230 HydrophobicContact CG2-CD1 3.86Å; L227-L230 HydrophobicContact CD2-CD1 3.69Å; L227-L230 WeakPolarHBondContact O-CB 3.28Å; L227-L230 PolarHBondContact O-N 3.39Å
231E83.6Confident90.9Very high117 Ų11748 Ų4855%0.54726%0.255SS..  trans-63.9135.3179.2-67.4-174.2168.500110.5E233 C234 S235E231-E233 PolarHBondContact O-N 2.71Å; E231-C234 PolarHBondContact O-N 3.28Å; E231-C234 PolarHBondContact O-SG 2.78Å; E231-C234 VanDerWaalsContact O-SG 3.38Å; E231-S235 PolarHBondContact O-N 3.42Å; E231-S235 PolarHBondContact O-OG 2.6Å
232P81.3Confident90.9Very high73 Ų7342.8 Ų42.847%0.47423%0.231SC..Hα-helixtrans-58.5-32.8-178.5-26.535.3000113.3C234 S235 S236P232-C234 VanDerWaalsContact C-N 3.29Å; P232-C234 PolarHBondContact O-N 3.38Å; P232-S235 PolarHBondContact O-N 3.33Å; P232-S236 WeakPolarHBondContact O-CB 3.22Å; P232-S236 PolarHBondContact O-N 3.49Å; P232-S236 PolarHBondContact O-OG 2.97Å
233E79.6Confident90.9Very high148 Ų14838.2 Ų38.269%0.69221%0.212SC*.Hα-helixtrans-60-37.8-173.4-69.870.7-157.900112.4E231E231-E233 PolarHBondContact O-N 2.71Å
234C80.3Confident90.9Very high15 Ų1538.2 Ų38.210%0.10121%0.212CC..Hα-helixtrans-97.1-26.4-178.666.80000113.5L96 E231 P232L96-C234 HydrophobicContact CB-CB 4.17Å; L96-C234 WeakPolarHBondContact O-CB 3.38Å; E231-C234 PolarHBondContact O-N 3.28Å; E231-C234 PolarHBondContact O-SG 2.78Å; E231-C234 VanDerWaalsContact O-SG 3.38Å; P232-C234 VanDerWaalsContact C-N 3.29Å; P232-C234 PolarHBondContact O-N 3.38Å
235S89.3Confident91Very high0 Ų037 Ų370%021%0.205CC..Hα-helixtrans-103.6-19.7-170.566.20000114.9E231 P232 K237 W238 R239E231-S235 PolarHBondContact O-N 3.42Å; E231-S235 PolarHBondContact O-OG 2.6Å; P232-S235 PolarHBondContact O-N 3.33Å; S235-K237 PolarHBondContact O-N 3.28Å; S235-W238 PolarHBondContact O-N 3.34Å; S235-R239 WeakPolarHBondContact O-CG 3.35Å; S235-R239 PolarHBondContact O-N 3.26Å
236S91.4Very high91.1Very high37 Ų3736.2 Ų36.226%0.25919%0.19SC..Hα-helixtrans-57.5-45.2-167.9-720000114.1P232 W238 R239 K240P232-S236 WeakPolarHBondContact O-CB 3.22Å; P232-S236 PolarHBondContact O-N 3.49Å; P232-S236 PolarHBondContact O-OG 2.97Å; S236-W238 VanDerWaalsContact C-N 3.35Å; S236-W238 PolarHBondContact O-N 3.28Å; S236-R239 PolarHBondContact O-N 3.48Å; S236-K240 WeakPolarHBondContact O-CG 2.83Å; S236-K240 PolarHBondContact O-N 2.59Å
237K92.9Very high91.3Very high3 Ų336.8 Ų36.81%0.01319%0.19CC..Hα-helixtrans-64.4-42.2-178.2-168.5176.1-176.5-177.50111.8S235 K240 Y241 Y291 T294 G298 S299 T300S235-K237 PolarHBondContact O-N 3.28Å; K237-K240 PolarHBondContact O-N 3.05Å; K237-Y241 PolarHBondContact O-N 3.03Å; K237-Y291 HydrophobicContact CD-CE2 4.5Å; K237-Y291 HydrophobicContact CG-CD2 4.07Å; K237-Y291 HydrophobicContact CG-CE2 3.69Å; K237-Y291 WeakPolarHBondContact O-CD2 3.36Å; K237-Y291 WeakPolarHBondContact O-CE2 3.49Å; K237-T294 HydrophobicContact CB-CG2 3.93Å; K237-T294 WeakPolarHBondContact CD-O 3.26Å; K237-G298 PolarHBondContact NZ-O 3.19Å; K237-S299 PolarHBondContact NZ-O 3.25Å; K237-T300 PolarHBondContact NZ-OG1 3.42Å; K237-T300 VanDerWaalsContact NZ-OG1 3.16Å
238W95.2Very high91.5Very high1 Ų136.9 Ų36.90%0.00419%0.19CC..Hα-helixtrans-64.3-44.4177.1-171.814.5000111H6 L96 V179 T182 Y183 L227 S235 S236 K240 Y241 L242H6-W238 AromaticContact CD2-CD1 3.64Å; L96-W238 HydrophobicContact CD1-CE3 4.04Å; L96-W238 HydrophobicContact CD1-CZ3 4.04Å; L96-W238 HydrophobicContact CD2-CE3 3.78Å; L96-W238 HydrophobicContact CD2-CZ3 4.25Å; L96-W238 HydrophobicContact CG-CE3 4.43Å; V179-W238 HydrophobicContact CG1-CH2 4.45Å; V179-W238 HydrophobicContact CG1-CZ3 4.17Å; T182-W238 HydrophobicContact CG2-CH2 3.49Å; T182-W238 VanDerWaalsContact CG2-CH2 3.49Å; T182-W238 HydrophobicContact CG2-CZ2 3.35Å; T182-W238 HydrophobicContact CG2-CZ3 4.15Å; Y183-W238 HydrophobicContact CD1-CZ2 4.49Å; Y183-W238 AromaticContact CD2-CH2 3.52Å; Y183-W238 HydrophobicContact CD2-CH2 3.52Å; Y183-W238 HydrophobicContact CD2-CZ2 4.16Å; Y183-W238 HydrophobicContact CD2-CZ3 4.43Å; Y183-W238 HydrophobicContact CE1-CZ2 4.47Å; Y183-W238 AromaticContact CE2-CH2 3.49Å; Y183-W238 HydrophobicContact CE2-CH2 3.49Å; Y183-W238 VanDerWaalsContact CE2-CH2 3.49Å; Y183-W238 HydrophobicContact CE2-CZ2 4.15Å; Y183-W238 HydrophobicContact CE2-CZ3 4.08Å; Y183-W238 HydrophobicContact CG-CH2 4.14Å; Y183-W238 HydrophobicContact CG-CZ2 4.35Å; L227-W238 HydrophobicContact CD1-CB 4.41Å; L227-W238 HydrophobicContact CD1-CD2 3.6Å; L227-W238 HydrophobicContact CD1-CE3 3.45Å; L227-W238 VanDerWaalsContact CD1-CE3 3.45Å; L227-W238 HydrophobicContact CD1-CG 4.03Å; L227-W238 HydrophobicContact CD1-CZ3 3.96Å; L227-W238 HydrophobicContact CD2-CE3 4Å; L227-W238 HydrophobicContact CD2-CH2 4.43Å; L227-W238 HydrophobicContact CD2-CZ3 3.75Å; L227-W238 HydrophobicContact CG-CE3 4.38Å; L227-W238 HydrophobicContact CG-CZ3 4.47Å; S235-W238 PolarHBondContact O-N 3.34Å; S236-W238 VanDerWaalsContact C-N 3.35Å; S236-W238 PolarHBondContact O-N 3.28Å; W238-K240 PolarHBondContact O-N 2.65Å; W238-Y241 WeakPolarHBondContact O-CB 3.48Å; W238-Y241 PolarHBondContact O-N 2.72Å; W238-Y241 VanDerWaalsContact O-N 3.1Å; W238-L242 WeakPolarHBondContact O-CG 3.5Å; W238-L242 PolarHBondContact O-N 3.47Å
239R95.4Very high92Very high41 Ų4132.7 Ų32.716%0.15517%0.167CC..Hα-helixtrans-58.7-42174-71.3-173.365.1-165.90.8113.1D224 L227 N228 S235 S236 Y241 L242 Q243D224-R239 VanDerWaalsContact OD1-CB 3.3Å; D224-R239 WeakPolarHBondContact OD1-CB 3.37Å; D224-R239 WeakPolarHBondContact OD1-CG 3.14Å; D224-R239 IonicContact OD1-CZ 3.58Å; D224-R239 IonicContact OD1-NE 3.43Å; D224-R239 PolarHBondContact OD1-NE 3.31Å; D224-R239 IonicContact OD1-NH2 3.52Å; D224-R239 PolarHBondContact OD1-NH2 2.94Å; D224-R239 IonicContact OD2-NH2 3.48Å; L227-R239 HydrophobicContact CB-CG 3.73Å; L227-R239 HydrophobicContact CD1-CG 3.79Å; L227-R239 HydrophobicContact CG-CG 4.48Å; N228-R239 PolarHBondContact OD1-NH1 2.6Å; N228-R239 PolarHBondContact OD1-NH2 3.35Å; S235-R239 WeakPolarHBondContact O-CG 3.35Å; S235-R239 PolarHBondContact O-N 3.26Å; S236-R239 PolarHBondContact O-N 3.48Å; R239-Y241 VanDerWaalsContact C-N 3.28Å; R239-Y241 PolarHBondContact O-N 3.16Å; R239-L242 PolarHBondContact O-N 3.27Å; R239-L242 VanDerWaalsContact O-N 3.13Å; R239-Q243 WeakPolarHBondContact O-CB 3.41Å; R239-Q243 VanDerWaalsContact O-CG 3.28Å; R239-Q243 WeakPolarHBondContact O-CG 3.44Å; R239-Q243 PolarHBondContact O-N 3.3Å
240K95.3Very high92.6Very high46 Ų4630 Ų3020%0.215%0.15CC..Hα-helixtrans-60.3-37.3175.1-69.4-63.4174.3-171.80112.5S236 K237 W238 L244 L287 E290 Y291S236-K240 WeakPolarHBondContact O-CG 2.83Å; S236-K240 PolarHBondContact O-N 2.59Å; K237-K240 PolarHBondContact O-N 3.05Å; W238-K240 PolarHBondContact O-N 2.65Å; K240-L244 WeakPolarHBondContact O-CB 3.17Å; K240-L244 PolarHBondContact O-N 3.22Å; K240-L287 HydrophobicContact CD-CD2 4.07Å; K240-E290 HydrophobicContact CD-CB 4.16Å; K240-E290 WeakPolarHBondContact CE-OE2 2.98Å; K240-E290 IonicContact NZ-OE2 3.15Å; K240-E290 PolarHBondContact NZ-OE2 2.81Å; K240-Y291 HydrophobicContact CB-CD2 4.12Å
241Y96.2Very high93.1Very high0 Ų029.7 Ų29.70%015%0.148CC..Hα-helixtrans-63.3-47172.2162.8-103.5000112.1W4 F5 H6 E190 Y220 K237 W238 R239 L244 K245W4-Y241 HydrophobicContact CE3-CD2 4.41Å; W4-Y241 HydrophobicContact CE3-CE2 4.28Å; W4-Y241 AromaticContact CH2-CD2 3.74Å; W4-Y241 HydrophobicContact CH2-CD2 3.74Å; W4-Y241 HydrophobicContact CH2-CE2 4.35Å; W4-Y241 HydrophobicContact CZ2-CD2 4.42Å; W4-Y241 AromaticContact CZ3-CD2 3.71Å; W4-Y241 HydrophobicContact CZ3-CD2 3.71Å; W4-Y241 HydrophobicContact CZ3-CE2 4.03Å; F5-Y241 WeakPolarHBondContact CA-OH 3.43Å; H6-Y241 HydrophobicContact CB-CD1 3.62Å; H6-Y241 HydrophobicContact CB-CD2 3.42Å; H6-Y241 VanDerWaalsContact CB-CD2 3.42Å; H6-Y241 HydrophobicContact CB-CE1 3.91Å; H6-Y241 HydrophobicContact CB-CE2 3.72Å; H6-Y241 HydrophobicContact CB-CG 3.34Å; H6-Y241 VanDerWaalsContact N-CE2 3.34Å; E190-Y241 PolarHBondContact OE1-OH 3.19Å; Y220-Y241 HydrophobicContact CE1-CE1 4.25Å; K237-Y241 PolarHBondContact O-N 3.03Å; W238-Y241 WeakPolarHBondContact O-CB 3.48Å; W238-Y241 PolarHBondContact O-N 2.72Å; W238-Y241 VanDerWaalsContact O-N 3.1Å; R239-Y241 VanDerWaalsContact C-N 3.28Å; R239-Y241 PolarHBondContact O-N 3.16Å; Y241-L244 WeakPolarHBondContact O-CB 3.46Å; Y241-L244 PolarHBondContact O-N 3.32Å; Y241-K245 HydrophobicContact CD2-CG 4.06Å; Y241-K245 HydrophobicContact CE2-CD 4.22Å; Y241-K245 VanDerWaalsContact CE2-CE 3.49Å; Y241-K245 HydrophobicContact CE2-CG 3.65Å; Y241-K245 WeakPolarHBondContact O-CG 3.44Å; Y241-K245 PolarHBondContact O-N 3.29Å
242L97.4Very high93.7Very high0 Ų024.5 Ų24.50%012%0.124CC..Hα-helixtrans-63.3-44.6180-61171.2000111.4T182 Y220 A223 D224 L227 W238 R239 K245 Q246T182-L242 HydrophobicContact CG2-CD1 3.92Å; Y220-L242 HydrophobicContact CD1-CD2 3.73Å; Y220-L242 HydrophobicContact CE1-CD2 4.15Å; A223-L242 HydrophobicContact CB-CD1 3.89Å; A223-L242 HydrophobicContact CB-CD2 3.94Å; A223-L242 HydrophobicContact CB-CG 4.44Å; D224-L242 HydrophobicContact CB-CB 4.05Å; D224-L242 HydrophobicContact CB-CD1 4.48Å; L227-L242 HydrophobicContact CD1-CD1 3.73Å; W238-L242 WeakPolarHBondContact O-CG 3.5Å; W238-L242 PolarHBondContact O-N 3.47Å; R239-L242 PolarHBondContact O-N 3.27Å; R239-L242 VanDerWaalsContact O-N 3.13Å; L242-K245 PolarHBondContact O-N 2.67Å; L242-Q246 WeakPolarHBondContact O-CB 3.18Å; L242-Q246 PolarHBondContact O-N 2.94Å
243Q97.2Very high94.4Very high36 Ų3621 Ų2117%0.16810%0.101CC..Hα-helixtrans-61.7-43.6175.6-70172-4.400112.1D224 R239 Q246 H247 L287D224-Q243 HydrophobicContact CB-CG 4.37Å; D224-Q243 PolarHBondContact OD1-NE2 3.35Å; D224-Q243 WeakPolarHBondContact OD2-CG 3.4Å; D224-Q243 PolarHBondContact OD2-NE2 2.98Å; R239-Q243 WeakPolarHBondContact O-CB 3.41Å; R239-Q243 VanDerWaalsContact O-CG 3.28Å; R239-Q243 WeakPolarHBondContact O-CG 3.44Å; R239-Q243 PolarHBondContact O-N 3.3Å; Q243-Q246 PolarHBondContact O-N 3.15Å; Q243-H247 PolarHBondContact O-CD2 3.45Å; Q243-H247 PolarHBondContact O-N 3.42Å; Q243-H247 VanDerWaalsContact O-N 3.08Å; Q243-L287 HydrophobicContact CB-CD1 4.07Å; Q243-L287 HydrophobicContact CB-CD2 4.16Å
244L96.8Very high95.3Very high0 Ų015.5 Ų15.50%07%0.074CC..Hα-helixtrans-56.8-51.8175174.2168.1000110.4W4 K240 Y241 Q246 H247 F248 L287 C288 P303W4-L244 HydrophobicContact CH2-CD1 4.48Å; W4-L244 HydrophobicContact CZ3-CD1 4.04Å; W4-L244 HydrophobicContact CZ3-CD2 4.28Å; K240-L244 WeakPolarHBondContact O-CB 3.17Å; K240-L244 PolarHBondContact O-N 3.22Å; Y241-L244 WeakPolarHBondContact O-CB 3.46Å; Y241-L244 PolarHBondContact O-N 3.32Å; L244-Q246 VanDerWaalsContact C-N 3.35Å; L244-Q246 PolarHBondContact O-N 2.74Å; L244-H247 PolarHBondContact O-N 3.46Å; L244-F248 VanDerWaalsContact O-CB 3.25Å; L244-F248 WeakPolarHBondContact O-CB 3.43Å; L244-F248 PolarHBondContact O-N 2.78Å; L244-L287 HydrophobicContact CB-CB 4.01Å; L244-C288 HydrophobicContact CD1-CB 4.24Å; L244-C288 WeakPolarHBondContact CD1-SG 3.49Å; L244-P303 HydrophobicContact CD1-CB 4.28Å; L244-P303 HydrophobicContact CD1-CG 3.77Å
245K97.6Very high96.1Very high0 Ų014.8 Ų14.80%07%0.069CC..Hα-helixtrans-65.4-38.1-178.2-74.1-71.3-167.6161.60112.1W4 E193 Y220 Y241 L242 F248 Y249W4-K245 WeakPolarHBondContact O-CE 3.24Å; W4-K245 PolarHBondContact O-NZ 3.47Å; E193-K245 VanDerWaalsContact CD-NZ 3.29Å; E193-K245 WeakPolarHBondContact OE1-CD 3.34Å; E193-K245 VanDerWaalsContact OE1-CE 3.28Å; E193-K245 WeakPolarHBondContact OE1-CE 3.45Å; E193-K245 IonicContact OE1-NZ 3.59Å; E193-K245 PolarHBondContact OE1-NZ 2.97Å; E193-K245 IonicContact OE2-NZ 2.6Å; E193-K245 PolarHBondContact OE2-NZ 2.98Å; Y220-K245 HydrophobicContact CD1-CB 3.7Å; Y220-K245 HydrophobicContact CD1-CG 4.42Å; Y220-K245 HydrophobicContact CD2-CB 3.57Å; Y220-K245 HydrophobicContact CE1-CB 3.76Å; Y220-K245 HydrophobicContact CE1-CG 4.02Å; Y220-K245 HydrophobicContact CE2-CB 3.62Å; Y220-K245 HydrophobicContact CE2-CD 4.4Å; Y220-K245 HydrophobicContact CE2-CG 4.22Å; Y220-K245 HydrophobicContact CG-CB 3.62Å; Y241-K245 HydrophobicContact CD2-CG 4.06Å; Y241-K245 HydrophobicContact CE2-CD 4.22Å; Y241-K245 VanDerWaalsContact CE2-CE 3.49Å; Y241-K245 HydrophobicContact CE2-CG 3.65Å; Y241-K245 WeakPolarHBondContact O-CG 3.44Å; Y241-K245 PolarHBondContact O-N 3.29Å; L242-K245 PolarHBondContact O-N 2.67Å; K245-F248 PolarHBondContact O-N 2.92Å; K245-Y249 HydrophobicContact CD-CE2 4.16Å; K245-Y249 WeakPolarHBondContact O-CD2 3.41Å; K245-Y249 PolarHBondContact O-N 3.4Å
246Q97.8Very high96.4Very high26 Ų2615.8 Ų15.812%0.1217%0.073CC..Hα-helixtrans-58.2-53.3174.6178.2-92.3-25.700111.5A217 Q221 L242 Q243 L244 F248 Y249 M250A217-Q246 WeakPolarHBondContact CB-O 3.27Å; A217-Q246 WeakPolarHBondContact O-CG 3.49Å; Q221-Q246 HydrophobicContact CB-CG 3.89Å; L242-Q246 WeakPolarHBondContact O-CB 3.18Å; L242-Q246 PolarHBondContact O-N 2.94Å; Q243-Q246 PolarHBondContact O-N 3.15Å; L244-Q246 VanDerWaalsContact C-N 3.35Å; L244-Q246 PolarHBondContact O-N 2.74Å; Q246-F248 VanDerWaalsContact C-N 3.34Å; Q246-F248 PolarHBondContact O-N 3.21Å; Q246-Y249 PolarHBondContact O-N 3.31Å; Q246-M250 VanDerWaalsContact O-CB 3.31Å; Q246-M250 WeakPolarHBondContact O-CB 3.22Å; Q246-M250 PolarHBondContact O-N 2.99Å
247H97.6Very high96.6Very high48 Ų4815.4 Ų15.422%0.2227%0.067CC..Hα-helixtrans-66-35.7177.5-79.1-69.9000112.9Q243 L244 M250 S251 A284 L287Q243-H247 PolarHBondContact O-CD2 3.45Å; Q243-H247 PolarHBondContact O-N 3.42Å; Q243-H247 VanDerWaalsContact O-N 3.08Å; L244-H247 PolarHBondContact O-N 3.46Å; H247-M250 PolarHBondContact O-N 3.04Å; H247-S251 PolarHBondContact O-N 3Å; H247-A284 HydrophobicContact CB-CB 4.03Å; H247-L287 VanDerWaalsContact CD2-CD1 3.46Å; H247-L287 WeakPolarHBondContact CD2-CD1 3.48Å
248F97.4Very high96.7Very high2 Ų215.3 Ų15.31%0.0097%0.067CC..Hα-helixtrans-62.3-49.8176.4-176.9-99000111.7L244 K245 Q246 M250 S251 Y252 Y281 A284 F308 F309 L312L244-F248 VanDerWaalsContact O-CB 3.25Å; L244-F248 WeakPolarHBondContact O-CB 3.43Å; L244-F248 PolarHBondContact O-N 2.78Å; K245-F248 PolarHBondContact O-N 2.92Å; Q246-F248 VanDerWaalsContact C-N 3.34Å; Q246-F248 PolarHBondContact O-N 3.21Å; F248-M250 VanDerWaalsContact C-N 3.35Å; F248-M250 PolarHBondContact O-N 3.32Å; F248-S251 PolarHBondContact O-N 2.74Å; F248-S251 PolarHBondContact O-OG 3.07Å; F248-Y252 HydrophobicContact CD1-CD2 4.27Å; F248-Y252 HydrophobicContact CD1-CE2 4.47Å; F248-Y252 AromaticContact CE1-CD2 3.8Å; F248-Y252 HydrophobicContact CE1-CD2 3.8Å; F248-Y252 AromaticContact CE1-CE2 3.57Å; F248-Y252 HydrophobicContact CE1-CE2 3.57Å; F248-Y252 HydrophobicContact CZ-CD2 4.2Å; F248-Y252 AromaticContact CZ-CE2 3.71Å; F248-Y252 HydrophobicContact CZ-CE2 3.71Å; F248-Y252 PolarHBondContact O-N 3.34Å; F248-Y252 VanDerWaalsContact O-N 3.16Å; F248-Y281 HydrophobicContact CE2-CE2 4.47Å; F248-A284 HydrophobicContact CB-CB 4.28Å; F248-F308 HydrophobicContact CD1-CE2 4.25Å; F248-F308 HydrophobicContact CD2-CE2 4.32Å; F248-F308 AromaticContact CE1-CD2 3.72Å; F248-F308 HydrophobicContact CE1-CD2 3.72Å; F248-F308 AromaticContact CE1-CE2 3.88Å; F248-F308 HydrophobicContact CE1-CE2 3.88Å; F248-F308 HydrophobicContact CE2-CD2 4.11Å; F248-F308 AromaticContact CE2-CE2 3.97Å; F248-F308 HydrophobicContact CE2-CE2 3.97Å; F248-F308 HydrophobicContact CG-CE2 4.45Å; F248-F308 AromaticContact CZ-CD2 3.48Å; F248-F308 HydrophobicContact CZ-CD2 3.48Å; F248-F308 VanDerWaalsContact CZ-CD2 3.48Å; F248-F308 AromaticContact CZ-CE2 3.73Å; F248-F308 HydrophobicContact CZ-CE2 3.73Å; F248-F308 WeakPolarHBondContact CZ-O 3.4Å; F248-F309 AromaticContact CD2-CD2 3.72Å; F248-F309 HydrophobicContact CD2-CD2 3.72Å; F248-F309 AromaticContact CD2-CE2 3.81Å; F248-F309 HydrophobicContact CD2-CE2 3.81Å; F248-F309 AromaticContact CE2-CD2 3.74Å; F248-F309 HydrophobicContact CE2-CD2 3.74Å; F248-F309 HydrophobicContact CE2-CE2 4.23Å; F248-F309 HydrophobicContact CE2-CG 4.31Å; F248-L312 HydrophobicContact CD1-CD2 4.43Å; F248-L312 HydrophobicContact CD2-CD2 3.71Å; F248-L312 HydrophobicContact CE1-CD2 4.12Å; F248-L312 HydrophobicContact CE2-CB 3.91Å; F248-L312 HydrophobicContact CE2-CD2 3.32Å; F248-L312 HydrophobicContact CE2-CG 4.24Å; F248-L312 HydrophobicContact CG-CD2 4.25Å; F248-L312 HydrophobicContact CZ-CB 3.96Å; F248-L312 HydrophobicContact CZ-CD2 3.55Å; F248-L312 HydrophobicContact CZ-CG 4.42Å
249Y97.6Very high96.7Very high7 Ų717.3 Ų17.33%0.0278%0.076CC..Hα-helixtrans-72.7-27.6178.4-82.1-72.9000113.3E193 I196 A213 T216 Y220 K245 Q246 S251 Y252 A253E193-Y249 WeakPolarHBondContact CB-OH 3.23Å; E193-Y249 HydrophobicContact CG-CE1 4.29Å; E193-Y249 HydrophobicContact CG-CE2 3.49Å; E193-Y249 VanDerWaalsContact CG-CE2 3.49Å; E193-Y249 WeakPolarHBondContact CG-OH 3.37Å; E193-Y249 WeakPolarHBondContact OE1-CE2 3.34Å; E193-Y249 PolarHBondContact OE2-OH 3.4Å; I196-Y249 HydrophobicContact CD1-CD1 3.81Å; I196-Y249 HydrophobicContact CD1-CE1 3.7Å; A213-Y249 HydrophobicContact CB-CD1 4.42Å; T216-Y249 HydrophobicContact CG2-CD1 3.9Å; T216-Y249 HydrophobicContact CG2-CD2 3.66Å; T216-Y249 HydrophobicContact CG2-CE1 4.31Å; T216-Y249 HydrophobicContact CG2-CE2 4.1Å; T216-Y249 HydrophobicContact CG2-CG 3.58Å; Y220-Y249 HydrophobicContact CD2-CD2 4.22Å; Y220-Y249 AromaticContact CE2-CD2 3.94Å; Y220-Y249 HydrophobicContact CE2-CD2 3.94Å; Y220-Y249 HydrophobicContact CE2-CE2 4.2Å; K245-Y249 HydrophobicContact CD-CE2 4.16Å; K245-Y249 WeakPolarHBondContact O-CD2 3.41Å; K245-Y249 PolarHBondContact O-N 3.4Å; Q246-Y249 PolarHBondContact O-N 3.31Å; Y249-S251 VanDerWaalsContact C-N 3.32Å; Y249-S251 PolarHBondContact O-N 2.82Å; Y249-Y252 HydrophobicContact CD1-CD2 4.27Å; Y249-Y252 HydrophobicContact CE1-CD2 4.25Å; Y249-Y252 WeakPolarHBondContact O-CB 3.38Å; Y249-Y252 PolarHBondContact O-N 3.41Å; Y249-A253 PolarHBondContact O-N 3.02Å
250M97.5Very high96.7Very high23 Ų2316.4 Ų16.411%0.1138%0.075CC..Hα-helixtrans-62.3-40.3168.8-169.460.16800111.4F214 A217 Q246 H247 F248 Y252 A253 Y254 L342F214-M250 HydrophobicContact CD2-CE 3.99Å; F214-M250 HydrophobicContact CD2-SD 4.01Å; F214-M250 HydrophobicContact CE2-CE 3.89Å; F214-M250 HydrophobicContact CE2-SD 4.2Å; A217-M250 HydrophobicContact CB-CB 4.28Å; A217-M250 HydrophobicContact CB-CE 3.97Å; Q246-M250 VanDerWaalsContact O-CB 3.31Å; Q246-M250 WeakPolarHBondContact O-CB 3.22Å; Q246-M250 PolarHBondContact O-N 2.99Å; H247-M250 PolarHBondContact O-N 3.04Å; F248-M250 VanDerWaalsContact C-N 3.35Å; F248-M250 PolarHBondContact O-N 3.32Å; M250-Y252 VanDerWaalsContact C-N 3.35Å; M250-Y252 PolarHBondContact O-N 2.85Å; M250-A253 WeakPolarHBondContact O-CB 3.37Å; M250-A253 PolarHBondContact O-N 3.18Å; M250-Y254 HydrophobicContact CG-CD2 3.9Å; M250-Y254 HydrophobicContact CG-CE2 3.61Å; M250-Y254 VanDerWaalsContact O-CD2 3.29Å; M250-Y254 WeakPolarHBondContact O-CD2 3.46Å; M250-Y254 PolarHBondContact O-N 3.2Å; M250-Y254 HydrophobicContact SD-CD2 4.21Å; M250-Y254 HydrophobicContact SD-CE2 3.73Å; M250-L342 HydrophobicContact SD-CD1 3.93Å
251S97.2Very high96.6Very high0 Ų014.9 Ų14.90%07%0.069CC..Hα-helixtrans-65.4-36.1174.472.90000112.9H247 F248 Y249 C255 A277 L312H247-S251 PolarHBondContact O-N 3Å; F248-S251 PolarHBondContact O-N 2.74Å; F248-S251 PolarHBondContact O-OG 3.07Å; Y249-S251 VanDerWaalsContact C-N 3.32Å; Y249-S251 PolarHBondContact O-N 2.82Å; S251-C255 VanDerWaalsContact O-CB 3.27Å; S251-C255 WeakPolarHBondContact O-CB 3.43Å; S251-C255 PolarHBondContact O-N 3.34Å; S251-A277 VanDerWaalsContact CB-O 3.25Å; S251-A277 WeakPolarHBondContact CB-O 3.37Å; S251-A277 WeakPolarHBondContact O-CB 3.49Å; S251-L312 WeakPolarHBondContact OG-CD2 3.46Å
252Y95.9Very high96.5Very high9 Ų915.5 Ų15.54%0.0357%0.072CC..Hα-helixtrans-59.9-47.1169.6-105.1-75000111.7I200 F248 Y249 M250 C255 Y256 L312I200-Y252 HydrophobicContact CD1-CE1 3.93Å; F248-Y252 HydrophobicContact CD1-CD2 4.27Å; F248-Y252 HydrophobicContact CD1-CE2 4.47Å; F248-Y252 AromaticContact CE1-CD2 3.8Å; F248-Y252 HydrophobicContact CE1-CD2 3.8Å; F248-Y252 AromaticContact CE1-CE2 3.57Å; F248-Y252 HydrophobicContact CE1-CE2 3.57Å; F248-Y252 HydrophobicContact CZ-CD2 4.2Å; F248-Y252 AromaticContact CZ-CE2 3.71Å; F248-Y252 HydrophobicContact CZ-CE2 3.71Å; F248-Y252 PolarHBondContact O-N 3.34Å; F248-Y252 VanDerWaalsContact O-N 3.16Å; Y249-Y252 HydrophobicContact CD1-CD2 4.27Å; Y249-Y252 HydrophobicContact CE1-CD2 4.25Å; Y249-Y252 WeakPolarHBondContact O-CB 3.38Å; Y249-Y252 PolarHBondContact O-N 3.41Å; M250-Y252 VanDerWaalsContact C-N 3.35Å; M250-Y252 PolarHBondContact O-N 2.85Å; Y252-C255 PolarHBondContact O-N 2.97Å; Y252-Y256 AromaticContact CD1-CD2 3.91Å; Y252-Y256 HydrophobicContact CD1-CD2 3.91Å; Y252-Y256 AromaticContact CD1-CE2 3.61Å; Y252-Y256 HydrophobicContact CD1-CE2 3.61Å; Y252-Y256 AromaticContact CE1-CE2 3.77Å; Y252-Y256 HydrophobicContact CE1-CE2 3.77Å; Y252-Y256 WeakPolarHBondContact O-CD2 3.46Å; Y252-Y256 PolarHBondContact O-N 3.02Å; Y252-L312 HydrophobicContact CD1-CD1 3.97Å; Y252-L312 HydrophobicContact CD2-CD1 3.78Å; Y252-L312 HydrophobicContact CD2-CD2 3.36Å; Y252-L312 HydrophobicContact CD2-CG 4.11Å; Y252-L312 HydrophobicContact CE1-CD1 3.93Å; Y252-L312 HydrophobicContact CE2-CB 4.04Å; Y252-L312 HydrophobicContact CE2-CD1 3.75Å; Y252-L312 HydrophobicContact CE2-CD2 3.55Å; Y252-L312 HydrophobicContact CE2-CG 3.97Å; Y252-L312 HydrophobicContact CG-CD1 3.87Å; Y252-L312 HydrophobicContact CG-CD2 4.12Å
253A96.9Very high96.3Very high0 Ų020.3 Ų20.30%011%0.106CC..Hα-helixtrans-59-51.2-179.200000111.4A213 F214 Y249 M250 C255 Y256 H257 L342A213-A253 HydrophobicContact CB-CB 4.04Å; F214-A253 HydrophobicContact CB-CB 3.95Å; Y249-A253 PolarHBondContact O-N 3.02Å; M250-A253 WeakPolarHBondContact O-CB 3.37Å; M250-A253 PolarHBondContact O-N 3.18Å; A253-C255 VanDerWaalsContact C-N 3.32Å; A253-C255 PolarHBondContact O-N 3.25Å; A253-Y256 PolarHBondContact O-N 2.94Å; A253-H257 WeakPolarHBondContact O-CB 3.45Å; A253-H257 PolarHBondContact O-N 3.41Å; A253-L342 HydrophobicContact CB-CD1 3.92Å
254Y97.6Very high96.1Very high32 Ų3221.8 Ų21.813%0.12512%0.12CC..Hα-helixtrans-62.9-35.2176.8-78.9-61.3000113.4M250 G258 S273 E276 P340 L342M250-Y254 HydrophobicContact CG-CD2 3.9Å; M250-Y254 HydrophobicContact CG-CE2 3.61Å; M250-Y254 VanDerWaalsContact O-CD2 3.29Å; M250-Y254 WeakPolarHBondContact O-CD2 3.46Å; M250-Y254 PolarHBondContact O-N 3.2Å; M250-Y254 HydrophobicContact SD-CD2 4.21Å; M250-Y254 HydrophobicContact SD-CE2 3.73Å; Y254-G258 PolarHBondContact O-N 2.86Å; Y254-S273 PolarHBondContact O-OG 3.14Å; Y254-E276 HydrophobicContact CD1-CB 4.21Å; Y254-E276 HydrophobicContact CD1-CG 4.49Å; Y254-E276 HydrophobicContact CD2-CB 4.26Å; Y254-E276 HydrophobicContact CD2-CG 4.12Å; Y254-E276 HydrophobicContact CE1-CB 4.32Å; Y254-E276 HydrophobicContact CE1-CG 4.17Å; Y254-E276 HydrophobicContact CE2-CB 4.36Å; Y254-E276 HydrophobicContact CE2-CG 3.77Å; Y254-E276 HydrophobicContact CG-CB 4.2Å; Y254-E276 HydrophobicContact CG-CG 4.48Å; Y254-P340 HydrophobicContact CD1-CG 4.41Å; Y254-P340 HydrophobicContact CE1-CG 4.27Å; Y254-L342 HydrophobicContact CD1-CD1 3.73Å; Y254-L342 HydrophobicContact CD1-CD2 4.06Å; Y254-L342 HydrophobicContact CD1-CG 4Å; Y254-L342 HydrophobicContact CD2-CD1 4.19Å; Y254-L342 HydrophobicContact CE1-CD1 3.55Å; Y254-L342 HydrophobicContact CE1-CD2 3.96Å; Y254-L342 HydrophobicContact CE1-CG 3.52Å; Y254-L342 HydrophobicContact CE2-CD1 4.03Å; Y254-L342 HydrophobicContact CG-CD1 4.03Å
255C96.9Very high95.9Very high0 Ų026.5 Ų26.50%015%0.146CC..Hα-helixtrans-64.5-51.2178.1-176.60000111.8S251 Y252 A253 H257 G258 Q259 L274 A277 I316S251-C255 VanDerWaalsContact O-CB 3.27Å; S251-C255 WeakPolarHBondContact O-CB 3.43Å; S251-C255 PolarHBondContact O-N 3.34Å; Y252-C255 PolarHBondContact O-N 2.97Å; A253-C255 VanDerWaalsContact C-N 3.32Å; A253-C255 PolarHBondContact O-N 3.25Å; C255-H257 VanDerWaalsContact C-N 3.35Å; C255-G258 PolarHBondContact O-N 2.93Å; C255-Q259 PolarHBondContact O-N 3.39Å; C255-Q259 VanDerWaalsContact O-N 3.16Å; C255-L274 HydrophobicContact CB-CD2 4.32Å; C255-A277 HydrophobicContact CB-CB 4.37Å; C255-I316 HydrophobicContact CB-CG1 4.11Å
256Y96.2Very high95.7Very high20 Ų2031.1 Ų31.18%0.07817%0.166CC..Hα-helixtrans-73.7-27.5179-81-87.3000112.7I200 A206 I209 Y252 A253 Q259 T260 L315I200-Y256 HydrophobicContact CD1-CE2 4.23Å; I200-Y256 WeakPolarHBondContact CD1-OH 3.38Å; I200-Y256 WeakPolarHBondContact CG1-OH 3.47Å; A206-Y256 HydrophobicContact CB-CD1 3.92Å; I209-Y256 HydrophobicContact CB-CD1 3.81Å; I209-Y256 HydrophobicContact CB-CD2 4.49Å; I209-Y256 HydrophobicContact CB-CE1 4.13Å; I209-Y256 HydrophobicContact CB-CG 3.98Å; I209-Y256 HydrophobicContact CD1-CD1 4Å; I209-Y256 HydrophobicContact CD1-CE1 3.62Å; I209-Y256 HydrophobicContact CG1-CE1 4.48Å; I209-Y256 HydrophobicContact CG2-CD1 3.7Å; I209-Y256 HydrophobicContact CG2-CD2 3.6Å; I209-Y256 HydrophobicContact CG2-CE1 3.79Å; I209-Y256 HydrophobicContact CG2-CE2 3.71Å; I209-Y256 HydrophobicContact CG2-CG 3.59Å; Y252-Y256 AromaticContact CD1-CD2 3.91Å; Y252-Y256 HydrophobicContact CD1-CD2 3.91Å; Y252-Y256 AromaticContact CD1-CE2 3.61Å; Y252-Y256 HydrophobicContact CD1-CE2 3.61Å; Y252-Y256 AromaticContact CE1-CE2 3.77Å; Y252-Y256 HydrophobicContact CE1-CE2 3.77Å; Y252-Y256 WeakPolarHBondContact O-CD2 3.46Å; Y252-Y256 PolarHBondContact O-N 3.02Å; A253-Y256 PolarHBondContact O-N 2.94Å; Y256-Q259 PolarHBondContact O-N 3.06Å; Y256-T260 PolarHBondContact O-N 3.07Å; Y256-T260 PolarHBondContact O-OG1 2.94Å; Y256-T260 VanDerWaalsContact O-OG1 3.04Å; Y256-L315 HydrophobicContact CE2-CD2 3.96Å
257H96.1Very high95.5Very high30 Ų3029.9 Ų29.914%0.13916%0.16CC..Hα-helixtrans-64.6-42.9169.6-173.364.4000111.2A210 A253 C255 Q259 T260 L261 L342A210-H257 HydrophobicContact CB-CB 4.25Å; A253-H257 WeakPolarHBondContact O-CB 3.45Å; A253-H257 PolarHBondContact O-N 3.41Å; C255-H257 VanDerWaalsContact C-N 3.35Å; H257-Q259 VanDerWaalsContact C-N 3.32Å; H257-Q259 PolarHBondContact O-N 2.93Å; H257-T260 WeakPolarHBondContact O-CA 3.23Å; H257-T260 VanDerWaalsContact O-CB 3.3Å; H257-T260 WeakPolarHBondContact O-CB 3.25Å; H257-T260 PolarHBondContact O-N 3.15Å; H257-L261 WeakPolarHBondContact O-CG 3.43Å; H257-L261 PolarHBondContact O-N 3.21Å; H257-L342 HydrophobicContact CB-CD2 4.03Å
258G94.9Very high95.4Very high0 Ų027.7 Ų27.70%015%0.15CC..Hα-helixtrans-56.5-44.617200000112.2Y254 C255 T260 L261 L262 S270Y254-G258 PolarHBondContact O-N 2.86Å; C255-G258 PolarHBondContact O-N 2.93Å; G258-T260 VanDerWaalsContact C-N 3.29Å; G258-T260 PolarHBondContact O-N 3.06Å; G258-L261 PolarHBondContact O-N 2.77Å; G258-L262 WeakPolarHBondContact O-CB 3.18Å; G258-L262 PolarHBondContact O-N 2.97Å; G258-S270 WeakPolarHBondContact O-CB 3.09Å; G258-S270 PolarHBondContact O-OG 3.27Å
259Q95.1Very high95.2Very high44 Ų4431.1 Ų31.121%0.20617%0.166CC..Hα-helixtrans-61.5-35.9174.8-66.417811.600113.1A206 C255 Y256 H257 S263 T319A206-Q259 HydrophobicContact CB-CB 4.02Å; C255-Q259 PolarHBondContact O-N 3.39Å; C255-Q259 VanDerWaalsContact O-N 3.16Å; Y256-Q259 PolarHBondContact O-N 3.06Å; H257-Q259 VanDerWaalsContact C-N 3.32Å; H257-Q259 PolarHBondContact O-N 2.93Å; Q259-S263 WeakPolarHBondContact O-CB 3.37Å; Q259-S263 PolarHBondContact O-N 3.33Å; Q259-S263 PolarHBondContact O-OG 3.43Å; Q259-T319 HydrophobicContact CG-CG2 3.76Å
260T94.4Very high95.1Very high22 Ų2230.8 Ų30.814%0.13517%0.165CC..Hα-helixtrans-65.4-46.1174.5-58.60000111.2T207 Y256 H257 G258 S263 S264T207-T260 WeakPolarHBondContact CA-OG1 3.17Å; T207-T260 PolarHBondContact N-OG1 2.87Å; T207-T260 WeakPolarHBondContact OG1-CG2 3.14Å; T207-T260 PolarHBondContact OG1-OG1 3.16Å; Y256-T260 PolarHBondContact O-N 3.07Å; Y256-T260 PolarHBondContact O-OG1 2.94Å; Y256-T260 VanDerWaalsContact O-OG1 3.04Å; H257-T260 WeakPolarHBondContact O-CA 3.23Å; H257-T260 VanDerWaalsContact O-CB 3.3Å; H257-T260 WeakPolarHBondContact O-CB 3.25Å; H257-T260 PolarHBondContact O-N 3.15Å; G258-T260 VanDerWaalsContact C-N 3.29Å; G258-T260 PolarHBondContact O-N 3.06Å; T260-S263 PolarHBondContact O-N 3.03Å; T260-S264 PolarHBondContact O-N 2.8Å; T260-S264 VanDerWaalsContact O-N 3.16Å; T260-S264 PolarHBondContact O-OG 2.7Å
261L94.5Very high95Very high13 Ų1330 Ų307%0.06816%0.161CC..Hα-helixtrans-62.7-42.9177.6-70.5169000111.5H257 G258 S263 S264 D265 K266 E269H257-L261 WeakPolarHBondContact O-CG 3.43Å; H257-L261 PolarHBondContact O-N 3.21Å; G258-L261 PolarHBondContact O-N 2.77Å; L261-S263 VanDerWaalsContact C-N 3.31Å; L261-S263 PolarHBondContact O-N 3.48Å; L261-S264 CarbonylContact O-C 3.6Å; L261-S264 WeakPolarHBondContact O-CA 3.5Å; L261-S264 PolarHBondContact O-N 2.93Å; L261-D265 PolarHBondContact O-N 3.23Å; L261-K266 HydrophobicContact CB-CB 4.28Å; L261-K266 HydrophobicContact CD2-CB 4.3Å; L261-K266 HydrophobicContact CD2-CD 3.97Å; L261-K266 WeakPolarHBondContact O-CB 3.39Å; L261-K266 PolarHBondContact O-N 3.37Å; L261-E269 HydrophobicContact CD1-CB 3.91Å; L261-E269 HydrophobicContact CD2-CB 4.37Å
262L93.3Very high95Very high14 Ų1431 Ų317%0.07316%0.164CC..Hα-helixtrans-60.3-42.3175.4-17466.8000111.7G258 S264 D265 C267 E326 Y331G258-L262 WeakPolarHBondContact O-CB 3.18Å; G258-L262 PolarHBondContact O-N 2.97Å; L262-S264 PolarHBondContact O-N 3.33Å; L262-D265 PolarHBondContact O-N 2.88Å; L262-D265 VanDerWaalsContact O-N 3.09Å; L262-C267 HydrophobicContact CD1-CB 4.2Å; L262-C267 VanDerWaalsContact CD1-SG 3.56Å; L262-E326 WeakPolarHBondContact CD1-OE2 3.45Å; L262-Y331 HydrophobicContact CD1-CE2 4.34Å
263S93Very high95Very high100 Ų10030.5 Ų30.570%0.69916%0.163SC*.THydrogen-bonded Turntrans-68.3-12.6176.8-53.50000113.2Q259 T260 L261Q259-S263 WeakPolarHBondContact O-CB 3.37Å; Q259-S263 PolarHBondContact O-N 3.33Å; Q259-S263 PolarHBondContact O-OG 3.43Å; T260-S263 PolarHBondContact O-N 3.03Å; L261-S263 VanDerWaalsContact C-N 3.31Å; L261-S263 PolarHBondContact O-N 3.48Å
264S93.5Very high95Very high68 Ų6830.5 Ų30.548%0.47616%0.163SC..THydrogen-bonded Turntrans-104.720.3175.2-49.20000111.8T260 L261 L262 K266T260-S264 PolarHBondContact O-N 2.8Å; T260-S264 VanDerWaalsContact O-N 3.16Å; T260-S264 PolarHBondContact O-OG 2.7Å; L261-S264 CarbonylContact O-C 3.6Å; L261-S264 WeakPolarHBondContact O-CA 3.5Å; L261-S264 PolarHBondContact O-N 2.93Å; L262-S264 PolarHBondContact O-N 3.33Å; S264-K266 PolarHBondContact O-N 3.48Å
265D93.1Very high95Very high99 Ų9932.1 Ų32.153%0.52917%0.171SC..THydrogen-bonded Turntrans60.59.2-176.6-56.9-48.5000115.2L261 L262 C267 Y331 H333L261-D265 PolarHBondContact O-N 3.23Å; L262-D265 PolarHBondContact O-N 2.88Å; L262-D265 VanDerWaalsContact O-N 3.09Å; D265-C267 VanDerWaalsContact C-N 3.28Å; D265-C267 PolarHBondContact O-N 3.06Å; D265-Y331 HydrophobicContact CB-CE1 3.95Å; D265-Y331 PolarHBondContact OD1-OH 3.36Å; D265-H333 PolarHBondContact O-CE1 3.06Å; D265-H333 PolarHBondContact O-ND1 2.92Å
266K93.7Very high94.9Very high97 Ų9733.8 Ų33.842%0.42218%0.179SC..  trans-87.360.8-180-64.2179.9173.8-163.40111.9L261 S264 G268 E269 S270L261-K266 HydrophobicContact CB-CB 4.28Å; L261-K266 HydrophobicContact CD2-CB 4.3Å; L261-K266 HydrophobicContact CD2-CD 3.97Å; L261-K266 WeakPolarHBondContact O-CB 3.39Å; L261-K266 PolarHBondContact O-N 3.37Å; S264-K266 PolarHBondContact O-N 3.48Å; K266-G268 PolarHBondContact O-N 3.13Å; K266-E269 HydrophobicContact CB-CB 4.27Å; K266-E269 PolarHBondContact O-N 3.34Å; K266-S270 PolarHBondContact O-N 3.48Å
267C93.4Very high95Very high0 Ų032.9 Ų32.90%018%0.175CC..Hα-helixtrans-61.2-42-171.8-157.20000114.2L262 D265 E269 S270 I271 C323 N327 Y331 H333L262-C267 HydrophobicContact CD1-CB 4.2Å; L262-C267 VanDerWaalsContact CD1-SG 3.56Å; D265-C267 VanDerWaalsContact C-N 3.28Å; D265-C267 PolarHBondContact O-N 3.06Å; C267-E269 PolarHBondContact O-N 3.06Å; C267-S270 WeakPolarHBondContact O-CB 3.32Å; C267-S270 PolarHBondContact O-N 3.37Å; C267-I271 WeakPolarHBondContact O-CG1 3.43Å; C267-I271 PolarHBondContact O-N 2.79Å; C267-C323 PolarHBondContact SG-O 2.87Å; C267-C323 VanDerWaalsContact SG-O 3.37Å; C267-N327 HydrophobicContact CB-CB 4.42Å; C267-Y331 HydrophobicContact CB-CD1 4.3Å; C267-Y331 HydrophobicContact CB-CD2 3.41Å; C267-Y331 VanDerWaalsContact CB-CD2 3.41Å; C267-Y331 HydrophobicContact CB-CE2 4.02Å; C267-Y331 HydrophobicContact CB-CG 3.58Å; C267-Y331 VanDerWaalsContact SG-CD2 3.59Å; C267-H333 PolarHBondContact N-ND1 3.03Å
268G94.2Very high95Very high1 Ų135.8 Ų35.81%0.0119%0.189CC..Hα-helixtrans-61.1-42.7177.300000113.3K266 I271 R272 P336K266-G268 PolarHBondContact O-N 3.13Å; G268-I271 PolarHBondContact O-N 3.14Å; G268-R272 PolarHBondContact O-N 3.21Å; G268-P336 VanDerWaalsContact O-CD 3.26Å; G268-P336 WeakPolarHBondContact O-CD 3.43Å
269E94.7Very high95.1Very high75 Ų7541.1 Ų41.135%0.3521%0.212SC..Hα-helixtrans-66.5-38.9174.4-64.7175.9-14000111.4L261 K266 C267 I271 R272 S273 P336L261-E269 HydrophobicContact CD1-CB 3.91Å; L261-E269 HydrophobicContact CD2-CB 4.37Å; K266-E269 HydrophobicContact CB-CB 4.27Å; K266-E269 PolarHBondContact O-N 3.34Å; C267-E269 PolarHBondContact O-N 3.06Å; E269-I271 PolarHBondContact O-N 3.43Å; E269-R272 PolarHBondContact O-N 3.07Å; E269-S273 PolarHBondContact O-N 3.15Å; E269-P336 HydrophobicContact CG-CG 3.92Å
270S94.9Very high95.1Very high0 Ų039.7 Ų39.70%021%0.207CC..Hα-helixtrans-58.7-46.9175.2176.10000112.3G258 K266 C267 R272 S273 L274 C323G258-S270 WeakPolarHBondContact O-CB 3.09Å; G258-S270 PolarHBondContact O-OG 3.27Å; K266-S270 PolarHBondContact O-N 3.48Å; C267-S270 WeakPolarHBondContact O-CB 3.32Å; C267-S270 PolarHBondContact O-N 3.37Å; S270-R272 VanDerWaalsContact C-N 3.31Å; S270-R272 PolarHBondContact O-N 2.94Å; S270-S273 WeakPolarHBondContact O-CB 3.41Å; S270-S273 PolarHBondContact O-N 3.19Å; S270-L274 PolarHBondContact O-N 2.93Å; S270-C323 PolarHBondContact OG-SG 3.41Å
271I96.5Very high95.2Very high5 Ų540.4 Ų40.43%0.02621%0.207CC..Hα-helixtrans-57.4-47.4175.7-69.2169.5000110C267 G268 E269 S273 L274 Q275 L320 C323 E324 N327 V335C267-I271 WeakPolarHBondContact O-CG1 3.43Å; C267-I271 PolarHBondContact O-N 2.79Å; G268-I271 PolarHBondContact O-N 3.14Å; E269-I271 PolarHBondContact O-N 3.43Å; I271-S273 VanDerWaalsContact C-N 3.31Å; I271-S273 PolarHBondContact O-N 3.36Å; I271-L274 PolarHBondContact O-N 3.24Å; I271-Q275 HydrophobicContact CG2-CG 4.39Å; I271-Q275 WeakPolarHBondContact O-CG 3.44Å; I271-Q275 PolarHBondContact O-N 3.39Å; I271-L320 HydrophobicContact CG2-CD1 4.13Å; I271-C323 HydrophobicContact CG1-CB 3.69Å; I271-E324 HydrophobicContact CD1-CG 4.32Å; I271-E324 HydrophobicContact CG1-CG 4.41Å; I271-N327 HydrophobicContact CD1-CB 3.52Å; I271-V335 HydrophobicContact CB-CG1 4.45Å; I271-V335 HydrophobicContact CB-CG2 4.22Å; I271-V335 HydrophobicContact CD1-CG2 4.17Å; I271-V335 HydrophobicContact CG2-CG1 4.06Å; I271-V335 HydrophobicContact CG2-CG2 3.97Å
272R96.8Very high95.3Very high21 Ų2142.4 Ų42.48%0.07922%0.222CC..Hα-helixtrans-64.3-36.5-179.3-177.157.2-172.191-2.6112.6G268 E269 S270 E276 V335 P336 A337 E338G268-R272 PolarHBondContact O-N 3.21Å; E269-R272 PolarHBondContact O-N 3.07Å; S270-R272 VanDerWaalsContact C-N 3.31Å; S270-R272 PolarHBondContact O-N 2.94Å; R272-E276 IonicContact CZ-OE2 3.48Å; R272-E276 VanDerWaalsContact CZ-OE2 3.31Å; R272-E276 IonicContact NH1-OE2 3.88Å; R272-E276 PolarHBondContact NH1-OE2 3.43Å; R272-E276 IonicContact NH2-OE2 3.36Å; R272-E276 PolarHBondContact NH2-OE2 3.03Å; R272-E276 PolarHBondContact O-N 3.45Å; R272-V335 HydrophobicContact CB-CG1 3.89Å; R272-P336 WeakPolarHBondContact CD-O 2.93Å; R272-P336 HydrophobicContact CG-CB 4.41Å; R272-P336 WeakPolarHBondContact CG-O 3.31Å; R272-A337 PolarHBondContact NE-O 3.27Å; R272-E338 VanDerWaalsContact CG-O 3.22Å; R272-E338 WeakPolarHBondContact CG-O 3.48Å
273S96.3Very high95.5Very high0 Ų046.5 Ų46.50%024%0.237CC..Hα-helixtrans-61.6-47172.5-168.20000111.2Y254 E269 S270 I271 Q275 E276 A277Y254-S273 PolarHBondContact O-OG 3.14Å; E269-S273 PolarHBondContact O-N 3.15Å; S270-S273 WeakPolarHBondContact O-CB 3.41Å; S270-S273 PolarHBondContact O-N 3.19Å; I271-S273 VanDerWaalsContact C-N 3.31Å; I271-S273 PolarHBondContact O-N 3.36Å; S273-Q275 PolarHBondContact O-N 3.42Å; S273-E276 WeakPolarHBondContact O-CB 3.36Å; S273-E276 PolarHBondContact O-N 2.93Å; S273-E276 VanDerWaalsContact O-N 3.11Å; S273-A277 PolarHBondContact O-N 2.9Å
274L96.2Very high95.6Very high0 Ų041.7 Ų41.70%020%0.204CC..Hα-helixtrans-68.7-33.5-179.7-74.6158.5000113.1C255 S270 I271 E276 A277 E278 T319 L320 C323C255-L274 HydrophobicContact CB-CD2 4.32Å; S270-L274 PolarHBondContact O-N 2.93Å; I271-L274 PolarHBondContact O-N 3.24Å; L274-E276 VanDerWaalsContact C-N 3.29Å; L274-E276 PolarHBondContact O-N 3.35Å; L274-A277 WeakPolarHBondContact O-CB 3.39Å; L274-A277 PolarHBondContact O-N 3.46Å; L274-E278 PolarHBondContact O-N 2.96Å; L274-T319 HydrophobicContact CD1-CG2 3.74Å; L274-T319 HydrophobicContact CD2-CG2 3.84Å; L274-T319 HydrophobicContact CG-CG2 4.45Å; L274-L320 HydrophobicContact CB-CB 4.15Å; L274-L320 HydrophobicContact CB-CD1 3.77Å; L274-L320 HydrophobicContact CB-CG 4.47Å; L274-C323 HydrophobicContact CD1-CB 4.16Å; L274-C323 WeakPolarHBondContact CD1-SG 3.36Å
275Q96.6Very high95.6Very high65 Ų6542.1 Ų42.130%0.30420%0.198SC..Hα-helixtrans-62.2-36.9169.5-72.6173.3-13.400111.7I271 S273 E278 K279 L320I271-Q275 HydrophobicContact CG2-CG 4.39Å; I271-Q275 WeakPolarHBondContact O-CG 3.44Å; I271-Q275 PolarHBondContact O-N 3.39Å; S273-Q275 PolarHBondContact O-N 3.42Å; Q275-E278 PolarHBondContact O-N 3.04Å; Q275-K279 WeakPolarHBondContact O-CG 3.31Å; Q275-K279 PolarHBondContact O-N 2.85Å; Q275-K279 VanDerWaalsContact O-N 3.17Å; Q275-L320 HydrophobicContact CG-CD1 4.35Å
276E96.6Very high95.8Very high36 Ų3640.2 Ų40.217%0.16819%0.19CC..Hα-helixtrans-71.2-35.5174.3-154.959-141.600111.9Y254 R272 S273 L274 E278 K279 C280 A339Y254-E276 HydrophobicContact CD1-CB 4.21Å; Y254-E276 HydrophobicContact CD1-CG 4.49Å; Y254-E276 HydrophobicContact CD2-CB 4.26Å; Y254-E276 HydrophobicContact CD2-CG 4.12Å; Y254-E276 HydrophobicContact CE1-CB 4.32Å; Y254-E276 HydrophobicContact CE1-CG 4.17Å; Y254-E276 HydrophobicContact CE2-CB 4.36Å; Y254-E276 HydrophobicContact CE2-CG 3.77Å; Y254-E276 HydrophobicContact CG-CB 4.2Å; Y254-E276 HydrophobicContact CG-CG 4.48Å; R272-E276 IonicContact CZ-OE2 3.48Å; R272-E276 VanDerWaalsContact CZ-OE2 3.31Å; R272-E276 IonicContact NH1-OE2 3.88Å; R272-E276 PolarHBondContact NH1-OE2 3.43Å; R272-E276 IonicContact NH2-OE2 3.36Å; R272-E276 PolarHBondContact NH2-OE2 3.03Å; R272-E276 PolarHBondContact O-N 3.45Å; S273-E276 WeakPolarHBondContact O-CB 3.36Å; S273-E276 PolarHBondContact O-N 2.93Å; S273-E276 VanDerWaalsContact O-N 3.11Å; L274-E276 VanDerWaalsContact C-N 3.29Å; L274-E276 PolarHBondContact O-N 3.35Å; E276-E278 VanDerWaalsContact C-N 3.34Å; E276-E278 PolarHBondContact O-N 2.95Å; E276-K279 PolarHBondContact O-N 3.12Å; E276-K279 IonicContact OE2-NZ 3.81Å; E276-K279 PolarHBondContact OE2-NZ 3.12Å; E276-C280 PolarHBondContact O-N 2.87Å; E276-C280 PolarHBondContact O-SG 2.72Å; E276-A339 HydrophobicContact CB-CB 4.23Å; E276-A339 HydrophobicContact CG-CB 3.83Å
277A96.8Very high95.8Very high0 Ų035.6 Ų35.60%017%0.17CC..Hα-helixtrans-58.8-45.4171.800000111.5S251 C255 S273 L274 C280 Y281 I316S251-A277 VanDerWaalsContact CB-O 3.25Å; S251-A277 WeakPolarHBondContact CB-O 3.37Å; S251-A277 WeakPolarHBondContact O-CB 3.49Å; C255-A277 HydrophobicContact CB-CB 4.37Å; S273-A277 PolarHBondContact O-N 2.9Å; L274-A277 WeakPolarHBondContact O-CB 3.39Å; L274-A277 PolarHBondContact O-N 3.46Å; A277-C280 PolarHBondContact O-N 3.44Å; A277-Y281 WeakPolarHBondContact O-CB 3.11Å; A277-Y281 PolarHBondContact O-N 2.96Å; A277-I316 HydrophobicContact CB-CD1 4.19Å; A277-I316 HydrophobicContact CB-CG1 4.32Å; A277-I316 HydrophobicContact CB-CG2 4.21Å
278E96.6Very high95.8Very high92 Ų9235.7 Ų35.743%0.4317%0.17SC..Hα-helixtrans-61.3-45.8177.6-173.2175.1-134.300111.8L274 Q275 E276 C280 Y281 S282 I316L274-E278 PolarHBondContact O-N 2.96Å; Q275-E278 PolarHBondContact O-N 3.04Å; E276-E278 VanDerWaalsContact C-N 3.34Å; E276-E278 PolarHBondContact O-N 2.95Å; E278-C280 PolarHBondContact O-N 2.96Å; E278-Y281 WeakPolarHBondContact O-CB 3.34Å; E278-Y281 PolarHBondContact O-N 3.03Å; E278-S282 PolarHBondContact O-N 2.82Å; E278-S282 PolarHBondContact O-OG 2.8Å; E278-I316 HydrophobicContact CB-CG2 4.24Å
279K96.5Very high95.7Very high112 Ų11241.3 Ų41.349%0.48720%0.195SC..Hα-helixtrans-58.2-46.7175-69.9175.1-168.8169.90112.3Q275 E276 Y281 S282 R283Q275-K279 WeakPolarHBondContact O-CG 3.31Å; Q275-K279 PolarHBondContact O-N 2.85Å; Q275-K279 VanDerWaalsContact O-N 3.17Å; E276-K279 PolarHBondContact O-N 3.12Å; E276-K279 IonicContact OE2-NZ 3.81Å; E276-K279 PolarHBondContact OE2-NZ 3.12Å; K279-Y281 VanDerWaalsContact C-N 3.31Å; K279-Y281 PolarHBondContact O-N 3.37Å; K279-S282 PolarHBondContact O-N 3.27Å; K279-R283 PolarHBondContact O-N 3.44Å
280C96.4Very high95.6Very high13 Ų1339.9 Ų39.99%0.08819%0.188CC..Hα-helixtrans-61.5-41.4177.4-69.50000111.4E276 A277 E278 R283 A284E276-C280 PolarHBondContact O-N 2.87Å; E276-C280 PolarHBondContact O-SG 2.72Å; A277-C280 PolarHBondContact O-N 3.44Å; E278-C280 PolarHBondContact O-N 2.96Å; C280-R283 PolarHBondContact O-N 2.98Å; C280-A284 PolarHBondContact O-N 2.72Å
281Y96.7Very high95.5Very high37 Ų3739.9 Ų39.915%0.14519%0.188CC..Hα-helixtrans-64.4-44.8177.7-178.1-95.6000112.2F248 A277 E278 K279 R283 A284 E285 F309 L312 G313 I316F248-Y281 HydrophobicContact CE2-CE2 4.47Å; A277-Y281 WeakPolarHBondContact O-CB 3.11Å; A277-Y281 PolarHBondContact O-N 2.96Å; E278-Y281 WeakPolarHBondContact O-CB 3.34Å; E278-Y281 PolarHBondContact O-N 3.03Å; K279-Y281 VanDerWaalsContact C-N 3.31Å; K279-Y281 PolarHBondContact O-N 3.37Å; Y281-R283 VanDerWaalsContact C-N 3.3Å; Y281-R283 PolarHBondContact O-N 3.47Å; Y281-A284 WeakPolarHBondContact O-CB 3.29Å; Y281-A284 PolarHBondContact O-N 2.96Å; Y281-A284 VanDerWaalsContact O-N 3.16Å; Y281-E285 PolarHBondContact O-N 3.1Å; Y281-F309 HydrophobicContact CD2-CZ 4.34Å; Y281-F309 HydrophobicContact CE1-CE1 4.02Å; Y281-F309 AromaticContact CE2-CD1 3.98Å; Y281-F309 HydrophobicContact CE2-CD1 3.98Å; Y281-F309 AromaticContact CE2-CE1 3.68Å; Y281-F309 HydrophobicContact CE2-CE1 3.68Å; Y281-F309 HydrophobicContact CE2-CE2 4.37Å; Y281-F309 HydrophobicContact CE2-CG 4.43Å; Y281-F309 AromaticContact CE2-CZ 3.87Å; Y281-F309 HydrophobicContact CE2-CZ 3.87Å; Y281-F309 WeakPolarHBondContact CE2-O 3.4Å; Y281-F309 AromaticContact CZ-CD1 3.75Å; Y281-F309 AromaticContact CZ-CE1 3.37Å; Y281-F309 AromaticContact CZ-CZ 3.97Å; Y281-F309 WeakPolarHBondContact OH-CD1 3.2Å; Y281-F309 VanDerWaalsContact OH-CE1 3.24Å; Y281-F309 WeakPolarHBondContact OH-CE1 3.42Å; Y281-F309 PolarHBondContact OH-O 3.1Å; Y281-F309 VanDerWaalsContact OH-O 3.09Å; Y281-L312 HydrophobicContact CD2-CD2 4.13Å; Y281-L312 HydrophobicContact CD2-CG 4.19Å; Y281-L312 HydrophobicContact CE2-CB 4.26Å; Y281-L312 HydrophobicContact CE2-CD2 4.49Å; Y281-L312 HydrophobicContact CE2-CG 4.35Å; Y281-G313 VanDerWaalsContact CZ-CA 3.47Å; Y281-I316 HydrophobicContact CD2-CD1 4.19Å; Y281-I316 HydrophobicContact CG-CD1 4.17Å
282S96.4Very high95.2Very high55 Ų5545.5 Ų45.539%0.38521%0.209SC..Hα-helixtrans-62.5-35.6174.2-61.10000112.5E278 K279 E285 T286E278-S282 PolarHBondContact O-N 2.82Å; E278-S282 PolarHBondContact O-OG 2.8Å; K279-S282 PolarHBondContact O-N 3.27Å; S282-E285 PolarHBondContact O-N 3.2Å; S282-T286 PolarHBondContact O-N 2.85Å; S282-T286 PolarHBondContact O-OG1 3.3Å
283R96.4Very high94.9Very high100 Ų10052 Ų5238%0.37724%0.24SC..Hα-helixtrans-65.8-43.2172.9-176.456.6178.7149.62.9111.5K279 C280 Y281 E285 T286 L287 E290K279-R283 PolarHBondContact O-N 3.44Å; C280-R283 PolarHBondContact O-N 2.98Å; Y281-R283 VanDerWaalsContact C-N 3.3Å; Y281-R283 PolarHBondContact O-N 3.47Å; R283-E285 VanDerWaalsContact C-N 3.29Å; R283-E285 PolarHBondContact O-N 2.92Å; R283-T286 WeakPolarHBondContact O-CB 3.44Å; R283-T286 PolarHBondContact O-N 2.94Å; R283-L287 HydrophobicContact CG-CD1 4.22Å; R283-L287 WeakPolarHBondContact O-CG 3.37Å; R283-L287 PolarHBondContact O-N 3.28Å; R283-E290 IonicContact CZ-OE1 2.71Å; R283-E290 IonicContact NH1-OE1 2.78Å; R283-E290 PolarHBondContact NH1-OE1 3.42Å; R283-E290 VanDerWaalsContact NH1-OE1 3.08Å
284A95.6Very high94.6Very high0 Ų053.4 Ų53.40%025%0.249CC..Hα-helixtrans-60.3-39.4174.400000111.6H247 F248 C280 Y281 T286 L287 C288 F309H247-A284 HydrophobicContact CB-CB 4.03Å; F248-A284 HydrophobicContact CB-CB 4.28Å; C280-A284 PolarHBondContact O-N 2.72Å; Y281-A284 WeakPolarHBondContact O-CB 3.29Å; Y281-A284 PolarHBondContact O-N 2.96Å; Y281-A284 VanDerWaalsContact O-N 3.16Å; A284-T286 VanDerWaalsContact C-N 3.35Å; A284-T286 PolarHBondContact O-N 2.89Å; A284-L287 PolarHBondContact O-N 2.88Å; A284-C288 PolarHBondContact O-N 3.38Å; A284-C288 PolarHBondContact O-SG 3.3Å; A284-F309 HydrophobicContact CB-CE2 4.03Å; A284-F309 HydrophobicContact CB-CZ 4.25Å
285E94.4Very high94.2Very high76 Ų7662.6 Ų62.636%0.35529%0.289SS..Hα-helixtrans-63.7-39.9175.9-172.4-177.5-153.600112.2Y281 S282 R283 L287 C288 K289 F309Y281-E285 PolarHBondContact O-N 3.1Å; S282-E285 PolarHBondContact O-N 3.2Å; R283-E285 VanDerWaalsContact C-N 3.29Å; R283-E285 PolarHBondContact O-N 2.92Å; E285-L287 VanDerWaalsContact C-N 3.34Å; E285-C288 VanDerWaalsContact O-CB 3.31Å; E285-C288 WeakPolarHBondContact O-CB 3.44Å; E285-C288 PolarHBondContact O-N 3.07Å; E285-K289 PolarHBondContact O-N 3.16Å; E285-F309 HydrophobicContact CB-CE1 4.06Å; E285-F309 HydrophobicContact CB-CZ 3.84Å; E285-F309 HydrophobicContact CG-CE1 4.28Å; E285-F309 HydrophobicContact CG-CZ 4.48Å
286T95.7Very high93.7Very high59 Ų5961 Ų6136%0.36229%0.289SS..Hα-helixtrans-62.5-44.3173.7-53.90000110.6S282 R283 A284 C288 K289 E290S282-T286 PolarHBondContact O-N 2.85Å; S282-T286 PolarHBondContact O-OG1 3.3Å; R283-T286 WeakPolarHBondContact O-CB 3.44Å; R283-T286 PolarHBondContact O-N 2.94Å; A284-T286 VanDerWaalsContact C-N 3.35Å; A284-T286 PolarHBondContact O-N 2.89Å; T286-C288 VanDerWaalsContact C-N 3.3Å; T286-C288 PolarHBondContact O-N 2.79Å; T286-K289 WeakPolarHBondContact O-CB 3.43Å; T286-K289 PolarHBondContact O-N 3.16Å; T286-E290 PolarHBondContact O-N 3.28Å
287L95.3Very high93Very high0 Ų060.3 Ų60.30%029%0.288CS..Hα-helixtrans-64.4-30.8176.8-72.3162000112.9K240 Q243 L244 H247 R283 A284 E285 K289 E290 Y291K240-L287 HydrophobicContact CD-CD2 4.07Å; Q243-L287 HydrophobicContact CB-CD1 4.07Å; Q243-L287 HydrophobicContact CB-CD2 4.16Å; L244-L287 HydrophobicContact CB-CB 4.01Å; H247-L287 VanDerWaalsContact CD2-CD1 3.46Å; H247-L287 WeakPolarHBondContact CD2-CD1 3.48Å; R283-L287 HydrophobicContact CG-CD1 4.22Å; R283-L287 WeakPolarHBondContact O-CG 3.37Å; R283-L287 PolarHBondContact O-N 3.28Å; A284-L287 PolarHBondContact O-N 2.88Å; E285-L287 VanDerWaalsContact C-N 3.34Å; L287-K289 VanDerWaalsContact C-N 3.29Å; L287-K289 PolarHBondContact O-N 3.35Å; L287-E290 PolarHBondContact O-N 2.94Å; L287-Y291 VanDerWaalsContact O-CB 3.3Å; L287-Y291 WeakPolarHBondContact O-CB 3.48Å; L287-Y291 PolarHBondContact O-N 2.66Å
288C92.3Very high92.2Very high2 Ų261.6 Ų61.61%0.01430%0.301CS..Hα-helixtrans-58-41.9170.3-67.10000111.8L244 A284 E285 T286 R292 P303L244-C288 HydrophobicContact CD1-CB 4.24Å; L244-C288 WeakPolarHBondContact CD1-SG 3.49Å; A284-C288 PolarHBondContact O-N 3.38Å; A284-C288 PolarHBondContact O-SG 3.3Å; E285-C288 VanDerWaalsContact O-CB 3.31Å; E285-C288 WeakPolarHBondContact O-CB 3.44Å; E285-C288 PolarHBondContact O-N 3.07Å; T286-C288 VanDerWaalsContact C-N 3.3Å; T286-C288 PolarHBondContact O-N 2.79Å; C288-R292 PolarHBondContact O-N 3.23Å; C288-P303 HydrophobicContact CB-CG 3.88Å
289K91.9Very high91.2Very high119 Ų11958.2 Ų58.252%0.51729%0.288SS..Hα-helixtrans-70.1-44.3177.9-62173.8-174.81700111E285 T286 L287 R292 Q293E285-K289 PolarHBondContact O-N 3.16Å; T286-K289 WeakPolarHBondContact O-CB 3.43Å; T286-K289 PolarHBondContact O-N 3.16Å; L287-K289 VanDerWaalsContact C-N 3.29Å; L287-K289 PolarHBondContact O-N 3.35Å; K289-R292 PolarHBondContact O-N 3Å; K289-Q293 WeakPolarHBondContact O-CG 3.41Å; K289-Q293 PolarHBondContact O-N 2.94Å
290E93.6Very high90.3Very high45 Ų4556.4 Ų56.421%0.2129%0.286CS..Hα-helixtrans-61-45.9176.5-65.6177-150.900111.5K240 R283 T286 L287 R292 Q293 T294K240-E290 HydrophobicContact CD-CB 4.16Å; K240-E290 WeakPolarHBondContact CE-OE2 2.98Å; K240-E290 IonicContact NZ-OE2 3.15Å; K240-E290 PolarHBondContact NZ-OE2 2.81Å; R283-E290 IonicContact CZ-OE1 2.71Å; R283-E290 IonicContact NH1-OE1 2.78Å; R283-E290 PolarHBondContact NH1-OE1 3.42Å; R283-E290 VanDerWaalsContact NH1-OE1 3.08Å; T286-E290 PolarHBondContact O-N 3.28Å; L287-E290 PolarHBondContact O-N 2.94Å; E290-R292 VanDerWaalsContact C-N 3.28Å; E290-R292 PolarHBondContact O-N 3.13Å; E290-Q293 PolarHBondContact O-N 2.61Å; E290-Q293 VanDerWaalsContact O-N 3.15Å; E290-T294 WeakPolarHBondContact O-CB 3.23Å; E290-T294 PolarHBondContact O-N 3.07Å; E290-T294 PolarHBondContact O-OG1 3.45Å
291Y92.4Very high89.4Confident1 Ų155.9 Ų55.90%0.00428%0.283CS..Hα-helixtrans-55.6-43.1176.2172.4-93.2000111.7W4 H6 K237 K240 L287 Q293 T294 S299 A301W4-Y291 HydrophobicContact CH2-CD1 4.14Å; W4-Y291 AromaticContact CH2-CE1 3.85Å; W4-Y291 HydrophobicContact CH2-CE1 3.85Å; W4-Y291 HydrophobicContact CH2-CE2 4.41Å; W4-Y291 HydrophobicContact CZ2-CD1 4.43Å; W4-Y291 AromaticContact CZ2-CE1 3.73Å; W4-Y291 HydrophobicContact CZ2-CE1 3.73Å; W4-Y291 AromaticContact CZ2-CZ 3.84Å; H6-Y291 AromaticContact ND1-CE2 3.8Å; H6-Y291 AromaticContact ND1-CZ 3.75Å; H6-Y291 PolarHBondContact ND1-OH 2.85Å; K237-Y291 HydrophobicContact CD-CE2 4.5Å; K237-Y291 HydrophobicContact CG-CD2 4.07Å; K237-Y291 HydrophobicContact CG-CE2 3.69Å; K237-Y291 WeakPolarHBondContact O-CD2 3.36Å; K237-Y291 WeakPolarHBondContact O-CE2 3.49Å; K240-Y291 HydrophobicContact CB-CD2 4.12Å; L287-Y291 VanDerWaalsContact O-CB 3.3Å; L287-Y291 WeakPolarHBondContact O-CB 3.48Å; L287-Y291 PolarHBondContact O-N 2.66Å; Y291-Q293 VanDerWaalsContact C-N 3.31Å; Y291-Q293 PolarHBondContact O-N 2.66Å; Y291-T294 PolarHBondContact O-N 3.42Å; Y291-S299 PolarHBondContact OH-O 2.82Å; Y291-A301 HydrophobicContact CE1-CB 4.48Å
292R89.3Confident88.8Confident123 Ų12358 Ų5846%0.46429%0.293SS..Hα-helixtrans-65-35-179.8-174.7177.9-177.2-170.7-6.5113C288 K289 E290 T300 K302C288-R292 PolarHBondContact O-N 3.23Å; K289-R292 PolarHBondContact O-N 3Å; E290-R292 VanDerWaalsContact C-N 3.28Å; E290-R292 PolarHBondContact O-N 3.13Å; R292-T300 HydrophobicContact CG-CG2 3.88Å; R292-K302 VanDerWaalsContact NH2-CE 3.28Å
293Q90.3Very high88Confident156 Ų15655.3 Ų55.373%0.72927%0.274SS*.Hα-helixtrans-83.3-21.3179.6-67.1172.5-7.600112.3K289 E290 Y291 K295K289-Q293 WeakPolarHBondContact O-CG 3.41Å; K289-Q293 PolarHBondContact O-N 2.94Å; E290-Q293 PolarHBondContact O-N 2.61Å; E290-Q293 VanDerWaalsContact O-N 3.15Å; Y291-Q293 VanDerWaalsContact C-N 3.31Å; Y291-Q293 PolarHBondContact O-N 2.66Å; Q293-K295 PolarHBondContact O-N 3.23Å
294T90.8Very high87.3Confident31 Ų3152.2 Ų52.219%0.1927%0.268CS..  trans-76121.6-177.9-56.60000110.4K237 E290 Y291K237-T294 HydrophobicContact CB-CG2 3.93Å; K237-T294 WeakPolarHBondContact CD-O 3.26Å; E290-T294 WeakPolarHBondContact O-CB 3.23Å; E290-T294 PolarHBondContact O-N 3.07Å; E290-T294 PolarHBondContact O-OG1 3.45Å; Y291-T294 PolarHBondContact O-N 3.42Å
295K87.6Confident86.7Confident193 Ų19358 Ų5884%0.83930%0.295SS*.  trans-74.2147.3170.1-65-176.7-178.4179.10109.7Q293Q293-K295 PolarHBondContact O-N 3.23Å
296G85.6Confident86.1Confident30 Ų3054.8 Ų54.831%0.30928%0.28SS..  trans161178.1178.300000111.6
297P83.6Confident85.6Confident23 Ų2355.6 Ų55.615%0.14928%0.282CS..SBendtrans-57.4151.3-178.3-2131.3000112.7H6 P9 T95 L96H6-P297 PolarHBondContact CE1-O 3.1Å; P9-P297 HydrophobicContact CG-CB 4.46Å; T95-P297 WeakPolarHBondContact O-CB 3.25Å; L96-P297 HydrophobicContact CD2-CG 4.13Å
298G79.1Confident85.1Confident26 Ų2655.9 Ų55.927%0.26828%0.283SS..SBendtrans82.1166.9178.800000114.8R7 K237R7-G298 VanDerWaalsContact O-CA 3.28Å; R7-G298 WeakPolarHBondContact O-CA 3.48Å; K237-G298 PolarHBondContact NZ-O 3.19Å
299S76Confident84.9Confident22 Ų2255.9 Ų55.915%0.15428%0.282CS..  trans-69.6151-176.464.40000112.9K237 Y291 V410K237-S299 PolarHBondContact NZ-O 3.25Å; Y291-S299 PolarHBondContact OH-O 2.82Å; S299-V410 VanDerWaalsContact CB-CG1 3.49Å; S299-V410 PolarHBondContact OG-O 3.5Å
300T76.2Confident84.8Confident74 Ų7453.5 Ų53.545%0.45428%0.278SS..  trans-88.5117.8173.4-610000109.5K237 R292K237-T300 PolarHBondContact NZ-OG1 3.42Å; K237-T300 VanDerWaalsContact NZ-OG1 3.16Å; R292-T300 HydrophobicContact CG-CG2 3.88Å
301A77.9Confident84.6Confident2 Ų256.5 Ų56.52%0.01729%0.291CS..  trans-110.5167.517800000111.3W4 Y291 P303W4-A301 HydrophobicContact CZ2-CB 3.82Å; Y291-A301 HydrophobicContact CE1-CB 4.48Å; A301-P303 VanDerWaalsContact C-CD 3.47Å; A301-P303 VanDerWaalsContact O-CD 3.31Å; A301-P303 WeakPolarHBondContact O-CD 3.38Å
302K83.9Confident84.6Confident80 Ų8056.5 Ų56.535%0.34829%0.29SS..  trans-116.376.5174-59.6-168.9-161175.50111R292 S304 E305R292-K302 VanDerWaalsContact NH2-CE 3.28Å; K302-S304 VanDerWaalsContact C-N 3.29Å; K302-S304 PolarHBondContact O-N 3.31Å; K302-E305 VanDerWaalsContact CD-CD 3.45Å; K302-E305 VanDerWaalsContact CD-OE1 3.23Å; K302-E305 WeakPolarHBondContact CD-OE1 3.39Å; K302-E305 VanDerWaalsContact CD-OE2 3.25Å; K302-E305 WeakPolarHBondContact CD-OE2 3.28Å; K302-E305 IonicContact NZ-OE1 2.72Å; K302-E305 PolarHBondContact NZ-OE1 3.21Å; K302-E305 VanDerWaalsContact NZ-OE1 3.15Å; K302-E305 IonicContact NZ-OE2 2.72Å; K302-E305 PolarHBondContact NZ-OE2 3.39Å; K302-E305 PolarHBondContact O-N 3.2Å
303P81.2Confident84.7Confident0 Ų051.4 Ų51.40%028%0.277CS..G310 helixtrans-64.3-29.2-171.222.5-32.4000114.5W4 L244 C288 A301 E305 Q306 F308 F309W4-P303 HydrophobicContact CD2-CB 4.14Å; W4-P303 HydrophobicContact CE3-CB 3.53Å; W4-P303 HydrophobicContact CE3-CG 4.34Å; W4-P303 HydrophobicContact CH2-CB 3.88Å; W4-P303 HydrophobicContact CH2-CG 3.76Å; W4-P303 HydrophobicContact CZ2-CB 4.46Å; W4-P303 HydrophobicContact CZ2-CG 4.45Å; W4-P303 HydrophobicContact CZ3-CB 3.38Å; W4-P303 HydrophobicContact CZ3-CG 3.71Å; L244-P303 HydrophobicContact CD1-CB 4.28Å; L244-P303 HydrophobicContact CD1-CG 3.77Å; C288-P303 HydrophobicContact CB-CG 3.88Å; A301-P303 VanDerWaalsContact C-CD 3.47Å; A301-P303 VanDerWaalsContact O-CD 3.31Å; A301-P303 WeakPolarHBondContact O-CD 3.38Å; P303-E305 PolarHBondContact O-N 3.17Å; P303-Q306 WeakPolarHBondContact O-CB 3.38Å; P303-Q306 PolarHBondContact O-N 2.81Å; P303-Q306 VanDerWaalsContact O-N 3.16Å; P303-F308 HydrophobicContact CB-CE1 4.25Å; P303-F308 HydrophobicContact CB-CZ 4.2Å; P303-F309 WeakPolarHBondContact O-CB 3.32Å
304S81.2Confident84.9Confident34 Ų3445.5 Ų45.524%0.23826%0.257CS..G310 helixtrans-65.2-24.5179.255.80000114.1K302K302-S304 VanDerWaalsContact C-N 3.29Å; K302-S304 PolarHBondContact O-N 3.31Å
305E82.8Confident85Confident122 Ų12246.4 Ų46.457%0.5726%0.26SS*.G310 helixtrans-87.7-8.4179.4-66.1173.4-158.300111.8K302 P303K302-E305 VanDerWaalsContact CD-CD 3.45Å; K302-E305 VanDerWaalsContact CD-OE1 3.23Å; K302-E305 WeakPolarHBondContact CD-OE1 3.39Å; K302-E305 VanDerWaalsContact CD-OE2 3.25Å; K302-E305 WeakPolarHBondContact CD-OE2 3.28Å; K302-E305 IonicContact NZ-OE1 2.72Å; K302-E305 PolarHBondContact NZ-OE1 3.21Å; K302-E305 VanDerWaalsContact NZ-OE1 3.15Å; K302-E305 IonicContact NZ-OE2 2.72Å; K302-E305 PolarHBondContact NZ-OE2 3.39Å; K302-E305 PolarHBondContact O-N 3.2Å; P303-E305 PolarHBondContact O-N 3.17Å
306Q81.8Confident85.4Confident9 Ų937.4 Ų37.44%0.04222%0.222CC..SBendtrans-83.9152.3-173.7-66175.6-11.700112.6W4 P303 F308 F309 T310 T407 G408W4-Q306 VanDerWaalsContact CG-OE1 3.24Å; P303-Q306 WeakPolarHBondContact O-CB 3.38Å; P303-Q306 PolarHBondContact O-N 2.81Å; P303-Q306 VanDerWaalsContact O-N 3.16Å; Q306-F308 VanDerWaalsContact C-N 3.28Å; Q306-F308 HydrophobicContact CB-CD1 3.64Å; Q306-F308 HydrophobicContact CB-CE1 3.8Å; Q306-F308 PolarHBondContact O-N 3.21Å; Q306-F309 WeakPolarHBondContact O-CB 3.29Å; Q306-F309 PolarHBondContact O-N 2.81Å; Q306-T310 PolarHBondContact O-N 3.33Å; Q306-T310 PolarHBondContact O-OG1 2.84Å; Q306-T407 PolarHBondContact NE2-O 3.18Å; Q306-G408 PolarHBondContact NE2-O 3.12Å
307L83.9Confident85.9Confident76 Ų7641.8 Ų41.840%0.39823%0.232SC..Hα-helixtrans-58-35.7-175.1-170.164.8000113.9F309 T310 K311L307-F309 PolarHBondContact O-N 3.36Å; L307-T310 PolarHBondContact O-OG1 2.7Å; L307-K311 HydrophobicContact CD1-CD 4.22Å; L307-K311 HydrophobicContact CD1-CG 4.1Å; L307-K311 HydrophobicContact CD2-CD 4.46Å; L307-K311 HydrophobicContact CG-CD 3.91Å; L307-K311 HydrophobicContact CG-CG 4.2Å; L307-K311 VanDerWaalsContact O-CB 3.28Å; L307-K311 WeakPolarHBondContact O-CB 3.18Å; L307-K311 VanDerWaalsContact O-CG 3.25Å; L307-K311 WeakPolarHBondContact O-CG 3.47Å; L307-K311 PolarHBondContact O-N 2.99Å; L307-K311 VanDerWaalsContact O-N 3.1Å
308F85.1Confident86.5Confident6 Ų645.5 Ų45.53%0.02625%0.251CS..Hα-helixtrans-61.4-37.7178.388.5-84000111.2T2 W4 F248 P303 Q306T2-F308 WeakPolarHBondContact O-CB 3.34Å; W4-F308 HydrophobicContact CB-CD1 4.26Å; W4-F308 HydrophobicContact CB-CE1 4.01Å; W4-F308 HydrophobicContact CE3-CE1 4.3Å; W4-F308 HydrophobicContact CE3-CZ 4.12Å; F248-F308 HydrophobicContact CD1-CE2 4.25Å; F248-F308 HydrophobicContact CD2-CE2 4.32Å; F248-F308 AromaticContact CE1-CD2 3.72Å; F248-F308 HydrophobicContact CE1-CD2 3.72Å; F248-F308 AromaticContact CE1-CE2 3.88Å; F248-F308 HydrophobicContact CE1-CE2 3.88Å; F248-F308 HydrophobicContact CE2-CD2 4.11Å; F248-F308 AromaticContact CE2-CE2 3.97Å; F248-F308 HydrophobicContact CE2-CE2 3.97Å; F248-F308 HydrophobicContact CG-CE2 4.45Å; F248-F308 AromaticContact CZ-CD2 3.48Å; F248-F308 HydrophobicContact CZ-CD2 3.48Å; F248-F308 VanDerWaalsContact CZ-CD2 3.48Å; F248-F308 AromaticContact CZ-CE2 3.73Å; F248-F308 HydrophobicContact CZ-CE2 3.73Å; F248-F308 WeakPolarHBondContact CZ-O 3.4Å; P303-F308 HydrophobicContact CB-CE1 4.25Å; P303-F308 HydrophobicContact CB-CZ 4.2Å; Q306-F308 VanDerWaalsContact C-N 3.28Å; Q306-F308 HydrophobicContact CB-CD1 3.64Å; Q306-F308 HydrophobicContact CB-CE1 3.8Å; Q306-F308 PolarHBondContact O-N 3.21Å
309F88.4Confident87.2Confident1 Ų144.9 Ų44.90%0.00424%0.242CC..Hα-helixtrans-75.9-51.6-177.3-161.7-91.2000111F248 Y281 A284 E285 P303 Q306 L307 K311 L312 G313F248-F309 AromaticContact CD2-CD2 3.72Å; F248-F309 HydrophobicContact CD2-CD2 3.72Å; F248-F309 AromaticContact CD2-CE2 3.81Å; F248-F309 HydrophobicContact CD2-CE2 3.81Å; F248-F309 AromaticContact CE2-CD2 3.74Å; F248-F309 HydrophobicContact CE2-CD2 3.74Å; F248-F309 HydrophobicContact CE2-CE2 4.23Å; F248-F309 HydrophobicContact CE2-CG 4.31Å; Y281-F309 HydrophobicContact CD2-CZ 4.34Å; Y281-F309 HydrophobicContact CE1-CE1 4.02Å; Y281-F309 AromaticContact CE2-CD1 3.98Å; Y281-F309 HydrophobicContact CE2-CD1 3.98Å; Y281-F309 AromaticContact CE2-CE1 3.68Å; Y281-F309 HydrophobicContact CE2-CE1 3.68Å; Y281-F309 HydrophobicContact CE2-CE2 4.37Å; Y281-F309 HydrophobicContact CE2-CG 4.43Å; Y281-F309 AromaticContact CE2-CZ 3.87Å; Y281-F309 HydrophobicContact CE2-CZ 3.87Å; Y281-F309 WeakPolarHBondContact CE2-O 3.4Å; Y281-F309 AromaticContact CZ-CD1 3.75Å; Y281-F309 AromaticContact CZ-CE1 3.37Å; Y281-F309 AromaticContact CZ-CZ 3.97Å; Y281-F309 WeakPolarHBondContact OH-CD1 3.2Å; Y281-F309 VanDerWaalsContact OH-CE1 3.24Å; Y281-F309 WeakPolarHBondContact OH-CE1 3.42Å; Y281-F309 PolarHBondContact OH-O 3.1Å; Y281-F309 VanDerWaalsContact OH-O 3.09Å; A284-F309 HydrophobicContact CB-CE2 4.03Å; A284-F309 HydrophobicContact CB-CZ 4.25Å; E285-F309 HydrophobicContact CB-CE1 4.06Å; E285-F309 HydrophobicContact CB-CZ 3.84Å; E285-F309 HydrophobicContact CG-CE1 4.28Å; E285-F309 HydrophobicContact CG-CZ 4.48Å; P303-F309 WeakPolarHBondContact O-CB 3.32Å; Q306-F309 WeakPolarHBondContact O-CB 3.29Å; Q306-F309 PolarHBondContact O-N 2.81Å; L307-F309 PolarHBondContact O-N 3.36Å; F309-K311 VanDerWaalsContact C-N 3.35Å; F309-K311 PolarHBondContact O-N 3.26Å; F309-L312 PolarHBondContact O-N 2.79Å; F309-G313 PolarHBondContact O-N 3.33Å
310T89.8Confident88.2Confident69 Ų6944.5 Ų44.542%0.42324%0.238SC..Hα-helixtrans-65.6-34.1-176.956.50000113.4Q306 L307 L312 G313 G314Q306-T310 PolarHBondContact O-N 3.33Å; Q306-T310 PolarHBondContact O-OG1 2.84Å; L307-T310 PolarHBondContact O-OG1 2.7Å; T310-L312 VanDerWaalsContact C-N 3.34Å; T310-L312 PolarHBondContact O-N 2.82Å; T310-G313 PolarHBondContact O-N 3.13Å; T310-G314 PolarHBondContact O-N 3Å; T310-G314 VanDerWaalsContact O-N 3.11Å
311K90.1Very high89.1Confident109 Ų10945 Ų4547%0.47424%0.235SC..Hα-helixtrans-60.5-41.5175.1-81.7-177.8172.9176.60112.6L307 F309 G314 L315L307-K311 HydrophobicContact CD1-CD 4.22Å; L307-K311 HydrophobicContact CD1-CG 4.1Å; L307-K311 HydrophobicContact CD2-CD 4.46Å; L307-K311 HydrophobicContact CG-CD 3.91Å; L307-K311 HydrophobicContact CG-CG 4.2Å; L307-K311 VanDerWaalsContact O-CB 3.28Å; L307-K311 WeakPolarHBondContact O-CB 3.18Å; L307-K311 VanDerWaalsContact O-CG 3.25Å; L307-K311 WeakPolarHBondContact O-CG 3.47Å; L307-K311 PolarHBondContact O-N 2.99Å; L307-K311 VanDerWaalsContact O-N 3.1Å; F309-K311 VanDerWaalsContact C-N 3.35Å; F309-K311 PolarHBondContact O-N 3.26Å; K311-G314 PolarHBondContact O-N 3.06Å; K311-L315 PolarHBondContact O-N 2.89Å
312L91.8Very high89.9Confident0 Ų049.6 Ų49.60%026%0.255CS..Hα-helixtrans-67.3-43.5178.517958.5000111.4F248 S251 Y252 Y281 F309 T310 G314 L315 I316F248-L312 HydrophobicContact CD1-CD2 4.43Å; F248-L312 HydrophobicContact CD2-CD2 3.71Å; F248-L312 HydrophobicContact CE1-CD2 4.12Å; F248-L312 HydrophobicContact CE2-CB 3.91Å; F248-L312 HydrophobicContact CE2-CD2 3.32Å; F248-L312 HydrophobicContact CE2-CG 4.24Å; F248-L312 HydrophobicContact CG-CD2 4.25Å; F248-L312 HydrophobicContact CZ-CB 3.96Å; F248-L312 HydrophobicContact CZ-CD2 3.55Å; F248-L312 HydrophobicContact CZ-CG 4.42Å; S251-L312 WeakPolarHBondContact OG-CD2 3.46Å; Y252-L312 HydrophobicContact CD1-CD1 3.97Å; Y252-L312 HydrophobicContact CD2-CD1 3.78Å; Y252-L312 HydrophobicContact CD2-CD2 3.36Å; Y252-L312 HydrophobicContact CD2-CG 4.11Å; Y252-L312 HydrophobicContact CE1-CD1 3.93Å; Y252-L312 HydrophobicContact CE2-CB 4.04Å; Y252-L312 HydrophobicContact CE2-CD1 3.75Å; Y252-L312 HydrophobicContact CE2-CD2 3.55Å; Y252-L312 HydrophobicContact CE2-CG 3.97Å; Y252-L312 HydrophobicContact CG-CD1 3.87Å; Y252-L312 HydrophobicContact CG-CD2 4.12Å; Y281-L312 HydrophobicContact CD2-CD2 4.13Å; Y281-L312 HydrophobicContact CD2-CG 4.19Å; Y281-L312 HydrophobicContact CE2-CB 4.26Å; Y281-L312 HydrophobicContact CE2-CD2 4.49Å; Y281-L312 HydrophobicContact CE2-CG 4.35Å; F309-L312 PolarHBondContact O-N 2.79Å; T310-L312 VanDerWaalsContact C-N 3.34Å; T310-L312 PolarHBondContact O-N 2.82Å; L312-G314 VanDerWaalsContact C-N 3.3Å; L312-G314 PolarHBondContact O-N 3.05Å; L312-L315 HydrophobicContact CD1-CD2 4.42Å; L312-L315 WeakPolarHBondContact O-CB 3.38Å; L312-L315 PolarHBondContact O-N 2.8Å; L312-L315 VanDerWaalsContact O-N 3.1Å; L312-I316 HydrophobicContact CD1-CD1 3.94Å; L312-I316 HydrophobicContact CD1-CG1 3.98Å; L312-I316 HydrophobicContact CD2-CD1 4.43Å; L312-I316 HydrophobicContact CG-CD1 3.81Å; L312-I316 HydrophobicContact CG-CG1 4.31Å; L312-I316 WeakPolarHBondContact O-CG1 3.1Å; L312-I316 PolarHBondContact O-N 2.82Å
313G92.2Very high90.4Very high17 Ų1745.8 Ų45.818%0.17524%0.238CC..Hα-helixtrans-57-43.4176.300000112.6Y281 F309 T310 K317Y281-G313 VanDerWaalsContact CZ-CA 3.47Å; F309-G313 PolarHBondContact O-N 3.33Å; T310-G313 PolarHBondContact O-N 3.13Å; G313-K317 WeakPolarHBondContact O-CB 3.01Å; G313-K317 PolarHBondContact O-N 3.32Å; G313-K317 VanDerWaalsContact O-N 3.11Å
314G93.8Very high91.1Very high31 Ų3150.1 Ų50.132%0.3226%0.258SS..Hα-helixtrans-62.9-42.7173.700000113.1T310 K311 L312 N318T310-G314 PolarHBondContact O-N 3Å; T310-G314 VanDerWaalsContact O-N 3.11Å; K311-G314 PolarHBondContact O-N 3.06Å; L312-G314 VanDerWaalsContact C-N 3.3Å; L312-G314 PolarHBondContact O-N 3.05Å; G314-N318 VanDerWaalsContact O-CB 3.32Å; G314-N318 WeakPolarHBondContact O-CB 3.49Å; G314-N318 PolarHBondContact O-N 2.98Å; G314-N318 PolarHBondContact O-ND2 3.23Å
315L94.3Very high91.8Very high50 Ų5055.9 Ų55.926%0.26228%0.275SS..Hα-helixtrans-61.6-47.6177.6179.864.4000112.1Y256 K311 L312 T319Y256-L315 HydrophobicContact CE2-CD2 3.96Å; K311-L315 PolarHBondContact O-N 2.89Å; L312-L315 HydrophobicContact CD1-CD2 4.42Å; L312-L315 WeakPolarHBondContact O-CB 3.38Å; L312-L315 PolarHBondContact O-N 2.8Å; L312-L315 VanDerWaalsContact O-N 3.1Å; L315-T319 VanDerWaalsContact O-CB 3.29Å; L315-T319 WeakPolarHBondContact O-CB 3.49Å; L315-T319 PolarHBondContact O-N 3.28Å; L315-T319 PolarHBondContact O-OG1 2.77Å
316I95.8Very high92.4Very high4 Ų452.2 Ų52.22%0.02126%0.258CS..Hα-helixtrans-60.2-51.7179.4-67.3168.5000109.8C255 A277 E278 Y281 L312 N318 T319 L320C255-I316 HydrophobicContact CB-CG1 4.11Å; A277-I316 HydrophobicContact CB-CD1 4.19Å; A277-I316 HydrophobicContact CB-CG1 4.32Å; A277-I316 HydrophobicContact CB-CG2 4.21Å; E278-I316 HydrophobicContact CB-CG2 4.24Å; Y281-I316 HydrophobicContact CD2-CD1 4.19Å; Y281-I316 HydrophobicContact CG-CD1 4.17Å; L312-I316 HydrophobicContact CD1-CD1 3.94Å; L312-I316 HydrophobicContact CD1-CG1 3.98Å; L312-I316 HydrophobicContact CD2-CD1 4.43Å; L312-I316 HydrophobicContact CG-CD1 3.81Å; L312-I316 HydrophobicContact CG-CG1 4.31Å; L312-I316 WeakPolarHBondContact O-CG1 3.1Å; L312-I316 PolarHBondContact O-N 2.82Å; I316-N318 PolarHBondContact O-N 3.23Å; I316-T319 PolarHBondContact O-N 3.23Å; I316-L320 WeakPolarHBondContact O-CB 3.32Å; I316-L320 PolarHBondContact O-N 3.33Å
317K96.1Very high93Very high122 Ų12252.6 Ų52.653%0.5326%0.26SS..Hα-helixtrans-58.9-48.4-178.8-176.1176.5179.5177.40112.4G313 T319 L320 Q321G313-K317 WeakPolarHBondContact O-CB 3.01Å; G313-K317 PolarHBondContact O-N 3.32Å; G313-K317 VanDerWaalsContact O-N 3.11Å; K317-T319 VanDerWaalsContact C-N 3.34Å; K317-T319 PolarHBondContact O-N 3.37Å; K317-L320 PolarHBondContact O-N 2.71Å; K317-Q321 VanDerWaalsContact O-CG 3.31Å; K317-Q321 WeakPolarHBondContact O-CG 3.4Å; K317-Q321 PolarHBondContact O-N 2.86Å
318N95.9Very high93.5Very high102 Ų10251 Ų5155%0.54526%0.262SS..Hα-helixtrans-65.7-38.4-179.4-68.3-17.7000111.8G314 I316 K322G314-N318 VanDerWaalsContact O-CB 3.32Å; G314-N318 WeakPolarHBondContact O-CB 3.49Å; G314-N318 PolarHBondContact O-N 2.98Å; G314-N318 PolarHBondContact O-ND2 3.23Å; I316-N318 PolarHBondContact O-N 3.23Å; N318-K322 WeakPolarHBondContact O-CB 3.28Å; N318-K322 PolarHBondContact O-N 3.06Å
319T93.9Very high94Very high13 Ų1358.5 Ų58.58%0.0830%0.295CS..Hα-helixtrans-70.1-40.8178.9-51.80000111.1Q259 L274 L315 I316 K317 K322 C323Q259-T319 HydrophobicContact CG-CG2 3.76Å; L274-T319 HydrophobicContact CD1-CG2 3.74Å; L274-T319 HydrophobicContact CD2-CG2 3.84Å; L274-T319 HydrophobicContact CG-CG2 4.45Å; L315-T319 VanDerWaalsContact O-CB 3.29Å; L315-T319 WeakPolarHBondContact O-CB 3.49Å; L315-T319 PolarHBondContact O-N 3.28Å; L315-T319 PolarHBondContact O-OG1 2.77Å; I316-T319 PolarHBondContact O-N 3.23Å; K317-T319 VanDerWaalsContact C-N 3.34Å; K317-T319 PolarHBondContact O-N 3.37Å; T319-K322 WeakPolarHBondContact O-CB 3.49Å; T319-K322 PolarHBondContact O-N 3.03Å; T319-C323 PolarHBondContact O-N 3.48Å; T319-C323 PolarHBondContact O-SG 3.38Å
320L95.6Very high94.3Very high13 Ų1363.6 Ų63.67%0.06832%0.321CS..Hα-helixtrans-61.6-50.6176179.759000111.1I271 L274 Q275 I316 K317 K322 C323 E324I271-L320 HydrophobicContact CG2-CD1 4.13Å; L274-L320 HydrophobicContact CB-CB 4.15Å; L274-L320 HydrophobicContact CB-CD1 3.77Å; L274-L320 HydrophobicContact CB-CG 4.47Å; Q275-L320 HydrophobicContact CG-CD1 4.35Å; I316-L320 WeakPolarHBondContact O-CB 3.32Å; I316-L320 PolarHBondContact O-N 3.33Å; K317-L320 PolarHBondContact O-N 2.71Å; L320-K322 PolarHBondContact O-N 3.09Å; L320-C323 PolarHBondContact O-N 2.81Å; L320-E324 HydrophobicContact CD1-CG 4.16Å; L320-E324 HydrophobicContact CG-CG 4.43Å; L320-E324 WeakPolarHBondContact O-CG 3.45Å; L320-E324 PolarHBondContact O-N 2.65Å
321Q96.3Very high94.5Very high85 Ų8562.9 Ų62.940%0.39731%0.311SS..Hα-helixtrans-60.1-33.1176.8-71.2178.2-10.600112.9K317 R325K317-Q321 VanDerWaalsContact O-CG 3.31Å; K317-Q321 WeakPolarHBondContact O-CG 3.4Å; K317-Q321 PolarHBondContact O-N 2.86Å; Q321-R325 WeakPolarHBondContact O-CB 3.4Å; Q321-R325 VanDerWaalsContact O-CG 3.26Å; Q321-R325 WeakPolarHBondContact O-CG 3.49Å; Q321-R325 PolarHBondContact O-N 2.73Å; Q321-R325 PolarHBondContact O-NE 2.91Å
322K94.9Very high94.8Very high99 Ų9964.6 Ų64.643%0.4332%0.319SS..Hα-helixtrans-63.9-51.2172179.3-175.8169.8-175.10110.6N318 T319 L320 E324 R325 E326N318-K322 WeakPolarHBondContact O-CB 3.28Å; N318-K322 PolarHBondContact O-N 3.06Å; T319-K322 WeakPolarHBondContact O-CB 3.49Å; T319-K322 PolarHBondContact O-N 3.03Å; L320-K322 PolarHBondContact O-N 3.09Å; K322-E324 PolarHBondContact O-N 3.02Å; K322-R325 PolarHBondContact O-N 3.2Å; K322-E326 WeakPolarHBondContact CE-OE1 3.16Å; K322-E326 WeakPolarHBondContact CG-OE1 3.49Å; K322-E326 IonicContact NZ-OE1 2.69Å; K322-E326 WeakPolarHBondContact O-CG 3.24Å; K322-E326 PolarHBondContact O-N 3.04Å
323C94.2Very high94.9Very high0 Ų068.4 Ų68.40%034%0.337CS..Hα-helixtrans-63.4-41.2-178.9-61.10000112.1C267 S270 I271 L274 T319 L320 R325 E326 N327C267-C323 PolarHBondContact SG-O 2.87Å; C267-C323 VanDerWaalsContact SG-O 3.37Å; S270-C323 PolarHBondContact OG-SG 3.41Å; I271-C323 HydrophobicContact CG1-CB 3.69Å; L274-C323 HydrophobicContact CD1-CB 4.16Å; L274-C323 WeakPolarHBondContact CD1-SG 3.36Å; T319-C323 PolarHBondContact O-N 3.48Å; T319-C323 PolarHBondContact O-SG 3.38Å; L320-C323 PolarHBondContact O-N 2.81Å; C323-R325 PolarHBondContact O-N 3.05Å; C323-E326 PolarHBondContact O-N 3.47Å; C323-N327 VanDerWaalsContact O-CB 3.29Å; C323-N327 WeakPolarHBondContact O-CB 3.33Å; C323-N327 PolarHBondContact O-N 3.25Å
324E95.2Very high95Very high90 Ų9077 Ų7742%0.42137%0.369SS..Hα-helixtrans-62.2-43177-71.2175.9153.100112.2I271 L320 K322 N327 G328I271-E324 HydrophobicContact CD1-CG 4.32Å; I271-E324 HydrophobicContact CG1-CG 4.41Å; L320-E324 HydrophobicContact CD1-CG 4.16Å; L320-E324 HydrophobicContact CG-CG 4.43Å; L320-E324 WeakPolarHBondContact O-CG 3.45Å; L320-E324 PolarHBondContact O-N 2.65Å; K322-E324 PolarHBondContact O-N 3.02Å; E324-N327 PolarHBondContact O-N 3.45Å; E324-G328 PolarHBondContact O-N 2.82Å
325R96Very high95.1Very high156 Ų15678 Ų7859%0.58937%0.369SS*.Hα-helixtrans-63-50.2174.5-74.1-176.6-61.4179.24.3111.3Q321 K322 C323 N327 G328 F329Q321-R325 WeakPolarHBondContact O-CB 3.4Å; Q321-R325 VanDerWaalsContact O-CG 3.26Å; Q321-R325 WeakPolarHBondContact O-CG 3.49Å; Q321-R325 PolarHBondContact O-N 2.73Å; Q321-R325 PolarHBondContact O-NE 2.91Å; K322-R325 PolarHBondContact O-N 3.2Å; C323-R325 PolarHBondContact O-N 3.05Å; R325-N327 VanDerWaalsContact C-N 3.29Å; R325-N327 PolarHBondContact O-N 2.69Å; R325-G328 PolarHBondContact O-N 3.34Å; R325-G328 VanDerWaalsContact O-N 3.13Å; R325-F329 HydrophobicContact CB-CD2 4.39Å; R325-F329 WeakPolarHBondContact O-CD2 3.46Å; R325-F329 PolarHBondContact O-N 2.99Å
326E94.6Very high95.1Very high44 Ų4478 Ų7821%0.20637%0.372CS..Hα-helixtrans-61-39.3179.2-73.5-174.8-15400112L262 K322 C323 G328 F329 I330 Y331L262-E326 WeakPolarHBondContact CD1-OE2 3.45Å; K322-E326 WeakPolarHBondContact CE-OE1 3.16Å; K322-E326 WeakPolarHBondContact CG-OE1 3.49Å; K322-E326 IonicContact NZ-OE1 2.69Å; K322-E326 WeakPolarHBondContact O-CG 3.24Å; K322-E326 PolarHBondContact O-N 3.04Å; C323-E326 PolarHBondContact O-N 3.47Å; E326-G328 VanDerWaalsContact C-N 3.34Å; E326-G328 PolarHBondContact O-N 3.49Å; E326-F329 PolarHBondContact O-N 2.83Å; E326-I330 HydrophobicContact CG-CD1 4.38Å; E326-I330 WeakPolarHBondContact O-CA 3.45Å; E326-I330 VanDerWaalsContact O-CB 3.28Å; E326-I330 WeakPolarHBondContact O-CB 3.36Å; E326-I330 PolarHBondContact O-N 3.3Å; E326-Y331 HydrophobicContact CB-CD2 4.12Å; E326-Y331 HydrophobicContact CB-CE2 3.93Å; E326-Y331 PolarHBondContact O-N 2.93Å
327N95.5Very high94.7Very high18 Ų1882.4 Ų82.410%0.09641%0.409CS..Iπ-helixtrans-67.2-35.8175.7-159.349.4000112.4C267 I271 C323 E324 R325 F332 H333C267-N327 HydrophobicContact CB-CB 4.42Å; I271-N327 HydrophobicContact CD1-CB 3.52Å; C323-N327 VanDerWaalsContact O-CB 3.29Å; C323-N327 WeakPolarHBondContact O-CB 3.33Å; C323-N327 PolarHBondContact O-N 3.25Å; E324-N327 PolarHBondContact O-N 3.45Å; R325-N327 VanDerWaalsContact C-N 3.29Å; R325-N327 PolarHBondContact O-N 2.69Å; N327-F332 VanDerWaalsContact O-CA 3.26Å; N327-F332 WeakPolarHBondContact O-CA 3.26Å; N327-F332 PolarHBondContact O-N 3.49Å; N327-H333 PolarHBondContact ND2-O 3.47Å; N327-H333 WeakPolarHBondContact OD1-CB 3.31Å; N327-H333 PolarHBondContact OD1-N 3.36Å; N327-H333 PolarHBondContact OD1-O 3.34Å
328G95.3Very high94.4Very high43 Ų4384.2 Ų84.244%0.44342%0.419SS..Iπ-helixtrans-75.4-20.9178.600000115E324 R325 E326 F332E324-G328 PolarHBondContact O-N 2.82Å; R325-G328 PolarHBondContact O-N 3.34Å; R325-G328 VanDerWaalsContact O-N 3.13Å; E326-G328 VanDerWaalsContact C-N 3.34Å; E326-G328 PolarHBondContact O-N 3.49Å; G328-F332 WeakPolarHBondContact O-CE1 3.21Å; G328-F332 WeakPolarHBondContact O-CZ 3.48Å
329F95.1Very high94Very high162 Ų16280.7 Ų80.771%0.71140%0.404SS*.Iπ-helixtrans-111.9-28.3-178.2-69.3-65.8000114.5R325 E326R325-F329 HydrophobicContact CB-CD2 4.39Å; R325-F329 WeakPolarHBondContact O-CD2 3.46Å; R325-F329 PolarHBondContact O-N 2.99Å; E326-F329 PolarHBondContact O-N 2.83Å
330I94.4Very high93.5Very high109 Ų10981.2 Ų81.256%0.55941%0.408SS*.Iπ-helixtrans-118.9-60.4-168.5-53.5174.7000111E326 F332E326-I330 HydrophobicContact CG-CD1 4.38Å; E326-I330 WeakPolarHBondContact O-CA 3.45Å; E326-I330 VanDerWaalsContact O-CB 3.28Å; E326-I330 WeakPolarHBondContact O-CB 3.36Å; E326-I330 PolarHBondContact O-N 3.3Å; I330-F332 WeakPolarHBondContact O-CD2 3.31Å
331Y94.4Very high93Very high53 Ų5388.5 Ų88.521%0.20844%0.442CS..Iπ-helixtrans-89.7-37.5-164.6-59.7-81.4000114.4L262 D265 C267 E326 H333L262-Y331 HydrophobicContact CD1-CE2 4.34Å; D265-Y331 HydrophobicContact CB-CE1 3.95Å; D265-Y331 PolarHBondContact OD1-OH 3.36Å; C267-Y331 HydrophobicContact CB-CD1 4.3Å; C267-Y331 HydrophobicContact CB-CD2 3.41Å; C267-Y331 VanDerWaalsContact CB-CD2 3.41Å; C267-Y331 HydrophobicContact CB-CE2 4.02Å; C267-Y331 HydrophobicContact CB-CG 3.58Å; C267-Y331 VanDerWaalsContact SG-CD2 3.59Å; E326-Y331 HydrophobicContact CB-CD2 4.12Å; E326-Y331 HydrophobicContact CB-CE2 3.93Å; E326-Y331 PolarHBondContact O-N 2.93Å; Y331-H333 AromaticContact CD1-CE1 3.97Å; Y331-H333 PolarHBondContact O-CD2 3.46Å; Y331-H333 PolarHBondContact O-N 3.02Å; Y331-H333 VanDerWaalsContact O-N 3.1Å
332F94.6Very high92.3Very high145 Ų14585.2 Ų85.264%0.63643%0.427SS*.  trans51.729.8-174-53.4-81.2000114N327 G328 I330N327-F332 VanDerWaalsContact O-CA 3.26Å; N327-F332 WeakPolarHBondContact O-CA 3.26Å; N327-F332 PolarHBondContact O-N 3.49Å; G328-F332 WeakPolarHBondContact O-CE1 3.21Å; G328-F332 WeakPolarHBondContact O-CZ 3.48Å; I330-F332 WeakPolarHBondContact O-CD2 3.31Å
333H95.7Very high91.6Very high81 Ų8188.5 Ų88.538%0.37544%0.444SS..PPolyproline II helixtrans-72.1140.4-179.9-68.6173.9000110.8D265 C267 N327 Y331 V335D265-H333 PolarHBondContact O-CE1 3.06Å; D265-H333 PolarHBondContact O-ND1 2.92Å; C267-H333 PolarHBondContact N-ND1 3.03Å; N327-H333 PolarHBondContact ND2-O 3.47Å; N327-H333 WeakPolarHBondContact OD1-CB 3.31Å; N327-H333 PolarHBondContact OD1-N 3.36Å; N327-H333 PolarHBondContact OD1-O 3.34Å; Y331-H333 AromaticContact CD1-CE1 3.97Å; Y331-H333 PolarHBondContact O-CD2 3.46Å; Y331-H333 PolarHBondContact O-N 3.02Å; Y331-H333 VanDerWaalsContact O-N 3.1Å; H333-V335 PolarHBondContact O-N 3.36Å
334K94.1Very high91Very high196 Ų19689.8 Ų89.885%0.85245%0.45SS*.PPolyproline II helixtrans-67.2130.2171.9-170.6178.8-179.9-178.90109.3P336K334-P336 WeakPolarHBondContact O-CD 3.47Å
335V95.4Very high90.4Very high53 Ų5394.1 Ų94.132%0.32147%0.468SS..PPolyproline II helixtrans-74.3122.8173.9-176.10000108.6I271 R272 H333I271-V335 HydrophobicContact CB-CG1 4.45Å; I271-V335 HydrophobicContact CB-CG2 4.22Å; I271-V335 HydrophobicContact CD1-CG2 4.17Å; I271-V335 HydrophobicContact CG2-CG1 4.06Å; I271-V335 HydrophobicContact CG2-CG2 3.97Å; R272-V335 HydrophobicContact CB-CG1 3.89Å; H333-V335 PolarHBondContact O-N 3.36Å
336P93.6Very high89.6Confident51 Ų5187.3 Ų87.333%0.33145%0.445SS..PPolyproline II helixtrans-61.3150.7176-21.932.6000112.2G268 E269 R272 K334G268-P336 VanDerWaalsContact O-CD 3.26Å; G268-P336 WeakPolarHBondContact O-CD 3.43Å; E269-P336 HydrophobicContact CG-CG 3.92Å; R272-P336 WeakPolarHBondContact CD-O 2.93Å; R272-P336 HydrophobicContact CG-CB 4.41Å; R272-P336 WeakPolarHBondContact CG-O 3.31Å; K334-P336 WeakPolarHBondContact O-CD 3.47Å
337A88.8Confident88.5Confident96 Ų9690.2 Ų90.279%0.79347%0.47SS*.SBendtrans-75.3-40.4176.200000111.9R272R272-A337 PolarHBondContact NE-O 3.27Å
338E89.5Confident87.6Confident159 Ų15995.2 Ų95.274%0.74349%0.488SS*.SBendtrans-89.4147-178-63.6-173.8176.900111.8R272R272-E338 VanDerWaalsContact CG-O 3.22Å; R272-E338 WeakPolarHBondContact CG-O 3.48Å
339A86.6Confident86.7Confident28 Ų2894.9 Ų94.923%0.23149%0.485CS..PPolyproline II helixtrans-69.5148.1174.900000110.2E276 Q341E276-A339 HydrophobicContact CB-CB 4.23Å; E276-A339 HydrophobicContact CG-CB 3.83Å; A339-Q341 PolarHBondContact O-N 3.22Å
340P83.4Confident86.3Confident25 Ų2590.2 Ų90.216%0.16247%0.467CS..PPolyproline II helixtrans-62131.9171.326.6-32.5000109.8Y254 L342Y254-P340 HydrophobicContact CD1-CG 4.41Å; Y254-P340 HydrophobicContact CE1-CG 4.27Å; P340-L342 PolarHBondContact O-N 3.17Å
341Q84.6Confident86Confident166 Ų16685.1 Ų85.178%0.77644%0.441SS*.PPolyproline II helixtrans-73.5120.6171.7-68.6-177.3-0.800108.9A339 E343A339-Q341 PolarHBondContact O-N 3.22Å; Q341-E343 PolarHBondContact O-N 3.37Å
342L82.9Confident85.9Confident16 Ų1687.5 Ų87.58%0.08445%0.454CS..  trans-83.3106.9178.3-61.3-178.3000109.6F214 M250 A253 Y254 H257 P340 L344F214-L342 HydrophobicContact CD2-CB 3.76Å; F214-L342 HydrophobicContact CD2-CD1 3.8Å; F214-L342 HydrophobicContact CD2-CG 4.46Å; F214-L342 HydrophobicContact CE2-CB 3.57Å; F214-L342 HydrophobicContact CE2-CD1 4.22Å; F214-L342 HydrophobicContact CG-CB 4.43Å; F214-L342 HydrophobicContact CZ-CB 4.11Å; F214-L342 WeakPolarHBondContact CZ-O 3.09Å; M250-L342 HydrophobicContact SD-CD1 3.93Å; A253-L342 HydrophobicContact CB-CD1 3.92Å; Y254-L342 HydrophobicContact CD1-CD1 3.73Å; Y254-L342 HydrophobicContact CD1-CD2 4.06Å; Y254-L342 HydrophobicContact CD1-CG 4Å; Y254-L342 HydrophobicContact CD2-CD1 4.19Å; Y254-L342 HydrophobicContact CE1-CD1 3.55Å; Y254-L342 HydrophobicContact CE1-CD2 3.96Å; Y254-L342 HydrophobicContact CE1-CG 3.52Å; Y254-L342 HydrophobicContact CE2-CD1 4.03Å; Y254-L342 HydrophobicContact CG-CD1 4.03Å; H257-L342 HydrophobicContact CB-CD2 4.03Å; P340-L342 PolarHBondContact O-N 3.17Å; L342-L344 HydrophobicContact CB-CG 4.43Å; L342-L344 HydrophobicContact CD2-CD1 4.11Å; L342-L344 HydrophobicContact CD2-CG 4.41Å
343E79.3Confident86Confident167 Ų16781.9 Ų81.978%0.7843%0.432SS*.  trans-111.249167.6-64.3-171.4170.400110.1Q341Q341-E343 PolarHBondContact O-N 3.37Å
344L81.4Confident86Confident27 Ų2780.7 Ų80.714%0.14143%0.428CS..  trans-83.2132.9-175.8-56.3179.3000110.1A210 A211 F214 L342A210-L344 HydrophobicContact CB-CD1 3.66Å; A211-L344 HydrophobicContact CB-CB 3.94Å; F214-L344 HydrophobicContact CB-CB 4.26Å; F214-L344 HydrophobicContact CB-CD1 4.39Å; F214-L344 HydrophobicContact CD1-CB 4.12Å; F214-L344 VanDerWaalsContact CD1-O 3.27Å; F214-L344 WeakPolarHBondContact CD1-O 3.21Å; F214-L344 HydrophobicContact CG-CB 4.35Å; L342-L344 HydrophobicContact CB-CG 4.43Å; L342-L344 HydrophobicContact CD2-CD1 4.11Å; L342-L344 HydrophobicContact CD2-CG 4.41Å
345K82.8Confident86Confident182 Ų18276.2 Ų76.279%0.79142%0.422SS*.  trans-121.1127.1169.9-72.6-176.1177.7178.20109.4S347K345-S347 PolarHBondContact O-N 3.33Å
346A78.9Confident86Confident13 Ų1374.5 Ų74.511%0.10741%0.41CS..  trans-72.6121.7176.600000109.5A211 L212 E215 Y348 L350A211-A346 HydrophobicContact CB-CB 4.17Å; L212-A346 HydrophobicContact CD2-CB 3.8Å; L212-A346 HydrophobicContact CG-CB 4.35Å; E215-A346 HydrophobicContact CG-CB 4.28Å; A346-Y348 VanDerWaalsContact C-N 3.32Å; A346-L350 HydrophobicContact CB-CD2 4.02Å; A346-L350 HydrophobicContact CB-CG 4.3Å
347S72.8Confident85.9Confident104 Ų10479.4 Ų79.473%0.72743%0.428SS*.SBendtrans-76.4-19.1179.646.50000113.5K345K345-S347 PolarHBondContact O-N 3.33Å
348Y75.1Confident86.1Confident123 Ų12376 Ų7648%0.48240%0.396SS..SBendtrans-156.4160.717847.5-87.3000110.6L208 L212 A346L208-Y348 HydrophobicContact CD1-CD1 4.2Å; L208-Y348 HydrophobicContact CD1-CD2 3.84Å; L208-Y348 HydrophobicContact CD1-CE1 3.84Å; L208-Y348 HydrophobicContact CD1-CE2 3.5Å; L208-Y348 VanDerWaalsContact CD1-CE2 3.5Å; L208-Y348 HydrophobicContact CD1-CG 4.19Å; L208-Y348 VanDerWaalsContact CD1-CZ 3.47Å; L208-Y348 HydrophobicContact CD2-CD2 4.06Å; L208-Y348 HydrophobicContact CD2-CE2 3.15Å; L208-Y348 WeakPolarHBondContact CD2-OH 3.32Å; L208-Y348 HydrophobicContact CG-CE2 3.88Å; L212-Y348 WeakPolarHBondContact CD2-O 3.47Å; A346-Y348 VanDerWaalsContact C-N 3.32Å
349G77.5Confident86.4Confident36 Ų3669.5 Ų69.537%0.37137%0.367SS..  trans87.713.7173.100000115.8Q192 T195Q192-G349 PolarHBondContact NE2-O 2.86Å; Q192-G349 PolarHBondContact OE1-O 3.2Å; T195-G349 WeakPolarHBondContact CG2-O 3.5Å
350L85.7Confident86.7Confident65 Ų6574.3 Ų74.334%0.3439%0.393SS..  trans-69.9133.6171.5-67.6176.9000111.3E215 A346 E352E215-L350 HydrophobicContact CB-CD2 4.02Å; E215-L350 HydrophobicContact CG-CD2 4.15Å; A346-L350 HydrophobicContact CB-CD2 4.02Å; A346-L350 HydrophobicContact CB-CG 4.3Å; L350-E352 PolarHBondContact O-N 3.23Å
351A88.6Confident87.2Confident1 Ų176 Ų761%0.00840%0.4CS..  trans-80102.8-179.900000111.2Q188 A191 Q192Q188-A351 PolarHBondContact NE2-O 2.86Å; A191-A351 HydrophobicContact CB-CB 3.77Å; Q192-A351 VanDerWaalsContact OE1-CB 3.24Å
352E92.8Very high87.6Confident104 Ų10469.2 Ų69.249%0.48637%0.371SS..PPolyproline II helixtrans-93.2144.1173.7-67.5-57.3143.800112.6K148 L350 I354K148-E352 WeakPolarHBondContact CE-O 3.45Å; L350-E352 PolarHBondContact O-N 3.23Å; E352-I354 PolarHBondContact O-N 2.72Å
353P96.1Very high88.1Confident26 Ų2677.4 Ų77.417%0.16941%0.409CS..PPolyproline II helixtrans-55.5137.1172.8-24.335.6000111.6A151 K155 Q188A151-P353 HydrophobicContact CB-CB 4Å; A151-P353 HydrophobicContact CB-CG 4.07Å; K155-P353 HydrophobicContact CD-CB 4.31Å; K155-P353 HydrophobicContact CD-CG 4.22Å; Q188-P353 HydrophobicContact CG-CG 4.35Å
354I96.2Very high88.6Confident56 Ų5672.4 Ų72.429%0.28739%0.386SS..PPolyproline II helixtrans-77.5132.5172-68.3164.9000107.9R145 K148 F149 G152 E352 F356R145-I354 HydrophobicContact CG-CD1 4.3Å; K148-I354 HydrophobicContact CB-CD1 3.74Å; K148-I354 HydrophobicContact CB-CG1 3.87Å; K148-I354 PolarHBondContact O-N 3.11Å; F149-I354 HydrophobicContact CB-CD1 4.5Å; F149-I354 HydrophobicContact CD2-CG2 4.24Å; G152-I354 WeakPolarHBondContact CA-O 3.37Å; E352-I354 PolarHBondContact O-N 2.72Å; I354-F356 PolarHBondContact O-N 3.18Å
355S94.4Very high89Confident103 Ų10371.5 Ų71.572%0.7238%0.382SS*.PPolyproline II helixtrans-56.8133.4176.8-1640000110.6
356F94.4Very high89.4Confident16 Ų1665 Ų657%0.0736%0.357CS..  trans-118.6138.1177.5173.8-98.7000109F149 I153 H156 I354 F358F149-F356 AromaticContact CE2-CD2 3.89Å; F149-F356 HydrophobicContact CE2-CD2 3.89Å; F149-F356 AromaticContact CZ-CD2 3.69Å; F149-F356 HydrophobicContact CZ-CD2 3.69Å; F149-F356 HydrophobicContact CZ-CE2 4.06Å; I153-F356 HydrophobicContact CB-CD1 4.46Å; I153-F356 HydrophobicContact CB-CG 4.37Å; I153-F356 HydrophobicContact CD1-CD2 4.39Å; I153-F356 HydrophobicContact CD1-CE2 4.45Å; I153-F356 HydrophobicContact CG1-CB 4.15Å; I153-F356 HydrophobicContact CG1-CD1 4.1Å; I153-F356 HydrophobicContact CG1-CD2 3.58Å; I153-F356 HydrophobicContact CG1-CE1 4.44Å; I153-F356 HydrophobicContact CG1-CE2 3.96Å; I153-F356 HydrophobicContact CG1-CG 3.65Å; I153-F356 HydrophobicContact CG1-CZ 4.37Å; H156-F356 HydrophobicContact CB-CB 4.33Å; H156-F356 HydrophobicContact CB-CD1 4.05Å; H156-F356 AromaticContact CD2-CD1 3.8Å; H156-F356 AromaticContact CG-CD1 3.98Å; H156-F356 PolarHBondContact ND1-O 2.96Å; I354-F356 PolarHBondContact O-N 3.18Å; F356-F358 HydrophobicContact CE1-CD1 4.03Å; F356-F358 HydrophobicContact CE1-CD2 4.04Å; F356-F358 AromaticContact CE1-CE1 3.96Å; F356-F358 HydrophobicContact CE1-CE1 3.96Å; F356-F358 AromaticContact CE1-CE2 3.96Å; F356-F358 HydrophobicContact CE1-CE2 3.96Å; F356-F358 HydrophobicContact CE1-CG 4.09Å; F356-F358 AromaticContact CE1-CZ 3.93Å; F356-F358 HydrophobicContact CE1-CZ 3.93Å; F356-F358 HydrophobicContact CZ-CD1 4.03Å; F356-F358 HydrophobicContact CZ-CE1 4.11Å; F356-F358 HydrophobicContact CZ-CG 4.39Å
357E92.4Very high89.9Confident155 Ų15567.2 Ų67.272%0.72437%0.371SS*.  trans-135.1143.9171.4-67-179.8-17900107.9
358F93.8Very high90.7Very high25 Ų2568.5 Ų68.511%0.1137%0.365CS..PPolyproline II helixtrans-65.6153171.9-76.1-75.8000110.7F65 L111 A115 H156 L157 H161 F356F65-F358 HydrophobicContact CB-CD1 4.08Å; F65-F358 HydrophobicContact CD1-CE1 4.31Å; F65-F358 AromaticContact CD2-CD1 3.63Å; F65-F358 HydrophobicContact CD2-CD1 3.63Å; F65-F358 AromaticContact CD2-CE1 3.64Å; F65-F358 HydrophobicContact CD2-CE1 3.64Å; F65-F358 HydrophobicContact CE1-CE1 4.36Å; F65-F358 HydrophobicContact CE2-CD1 4.15Å; F65-F358 AromaticContact CE2-CE1 3.68Å; F65-F358 HydrophobicContact CE2-CE1 3.68Å; F65-F358 AromaticContact CG-CD1 3.87Å; F65-F358 HydrophobicContact CG-CD1 3.87Å; F65-F358 AromaticContact CG-CE1 3.98Å; F65-F358 HydrophobicContact CG-CE1 3.98Å; F65-F358 HydrophobicContact CZ-CE1 4.08Å; L111-F358 HydrophobicContact CD1-CD1 3.98Å; L111-F358 HydrophobicContact CD1-CE1 3.6Å; L111-F358 HydrophobicContact CD1-CZ 3.93Å; L111-F358 HydrophobicContact CD2-CE2 4.13Å; L111-F358 HydrophobicContact CD2-CZ 4.11Å; L111-F358 HydrophobicContact CG-CE1 4.01Å; L111-F358 HydrophobicContact CG-CE2 4.33Å; L111-F358 HydrophobicContact CG-CZ 3.79Å; A115-F358 HydrophobicContact CB-CE1 3.93Å; A115-F358 HydrophobicContact CB-CZ 3.81Å; H156-F358 AromaticContact CD2-CE2 3.8Å; H156-F358 AromaticContact NE2-CD2 3.69Å; H156-F358 AromaticContact NE2-CE2 3.84Å; L157-F358 HydrophobicContact CD2-CE2 4.16Å; L157-F358 HydrophobicContact CD2-CZ 3.84Å; H161-F358 AromaticContact CD2-CE2 3.63Å; H161-F358 AromaticContact CE1-CD2 3.97Å; H161-F358 AromaticContact CE1-CE2 3.8Å; H161-F358 AromaticContact NE2-CD2 3.46Å; H161-F358 WeakPolarHBondContact NE2-CD2 3.21Å; H161-F358 AromaticContact NE2-CE2 3.25Å; H161-F358 VanDerWaalsContact NE2-CE2 3.25Å; H161-F358 WeakPolarHBondContact NE2-CE2 3.36Å; F356-F358 HydrophobicContact CE1-CD1 4.03Å; F356-F358 HydrophobicContact CE1-CD2 4.04Å; F356-F358 AromaticContact CE1-CE1 3.96Å; F356-F358 HydrophobicContact CE1-CE1 3.96Å; F356-F358 AromaticContact CE1-CE2 3.96Å; F356-F358 HydrophobicContact CE1-CE2 3.96Å; F356-F358 HydrophobicContact CE1-CG 4.09Å; F356-F358 AromaticContact CE1-CZ 3.93Å; F356-F358 HydrophobicContact CE1-CZ 3.93Å; F356-F358 HydrophobicContact CZ-CD1 4.03Å; F356-F358 HydrophobicContact CZ-CE1 4.11Å; F356-F358 HydrophobicContact CZ-CG 4.39Å
359P95Very high91.5Very high21 Ų2163.8 Ų63.814%0.13635%0.349CS..PPolyproline II helixtrans-59.3160.4176.731.3-42000111.1D62 F65 Q69D62-P359 HydrophobicContact CB-CB 4.06Å; D62-P359 HydrophobicContact CB-CG 4.42Å; F65-P359 HydrophobicContact CB-CG 3.67Å; Q69-P359 PolarHBondContact NE2-O 3.27Å
360V92.7Very high92.1Very high129 Ų12962.4 Ų62.478%0.78233%0.333SS*.PPolyproline II helixtrans-61.2152.9170.1-63.50000111.1S66S66-V360 WeakPolarHBondContact CB-O 3.13Å
361L93.3Very high92.2Very high60 Ų6062.8 Ų62.831%0.31435%0.345SS..PPolyproline II helixtrans-56.6138.8174.9-174.774.8000110.3Q69 L75 C365Q69-L361 HydrophobicContact CB-CD1 3.97Å; L75-L361 HydrophobicContact CD2-CD2 3.27Å; L361-C365 HydrophobicContact CD1-CB 3.74Å; L361-C365 HydrophobicContact CD2-CB 3.73Å; L361-C365 HydrophobicContact CG-CB 3.66Å
362S93.9Very high92.3Very high24 Ų2465 Ų6517%0.16836%0.359CS..PPolyproline II helixtrans-60.5140.7177.2-173.40000111S66 Q364 C365S66-S362 PolarHBondContact O-N 2.79Å; S362-Q364 PolarHBondContact O-N 3.17Å; S362-Q364 PolarHBondContact OG-N 2.61Å; S362-C365 WeakPolarHBondContact O-CB 3.31Å; S362-C365 PolarHBondContact O-N 2.75Å
363E92.2Very high92.2Very high188 Ų18860.1 Ų60.188%0.87934%0.336SS*.THydrogen-bonded Turntrans-57.7-20.8173.5-62.6-179.5172.100112.9C365 T366E363-C365 PolarHBondContact O-N 3.34Å; E363-T366 WeakPolarHBondContact O-CG2 3.34Å
364Q90.1Very high91.8Very high62 Ų6261.1 Ų61.129%0.2934%0.34SS..THydrogen-bonded Turntrans-69.1-22.8174.6-56.9-16862.800112.8I32 D35 S362 T366I32-Q364 WeakPolarHBondContact CD1-O 3.38Å; I32-Q364 HydrophobicContact CG1-CB 4.26Å; D35-Q364 PolarHBondContact OD2-NE2 3.01Å; D35-Q364 VanDerWaalsContact OD2-NE2 3.11Å; D35-Q364 PolarHBondContact OD2-OE1 3.17Å; S362-Q364 PolarHBondContact O-N 3.17Å; S362-Q364 PolarHBondContact OG-N 2.61Å; Q364-T366 VanDerWaalsContact C-N 3.32Å; Q364-T366 PolarHBondContact O-N 3.39Å; Q364-T366 VanDerWaalsContact O-N 3.07Å
365C90.3Very high91.3Very high8 Ų861.8 Ų61.85%0.05434%0.344CS..  trans-87.569.1-174.4-62.80000111.9L361 S362 E363 Y370L361-C365 HydrophobicContact CD1-CB 3.74Å; L361-C365 HydrophobicContact CD2-CB 3.73Å; L361-C365 HydrophobicContact CG-CB 3.66Å; S362-C365 WeakPolarHBondContact O-CB 3.31Å; S362-C365 PolarHBondContact O-N 2.75Å; E363-C365 PolarHBondContact O-N 3.34Å; C365-Y370 HydrophobicContact CB-CE2 3.71Å; C365-Y370 PolarHBondContact SG-OH 3.48Å
366T91Very high90.7Very high45 Ų4562.8 Ų62.828%0.27635%0.346SS..  trans-93.3155.2178.485.80000112.3E363 Q364 E368 V369 Y370E363-T366 WeakPolarHBondContact O-CG2 3.34Å; Q364-T366 VanDerWaalsContact C-N 3.32Å; Q364-T366 PolarHBondContact O-N 3.39Å; Q364-T366 VanDerWaalsContact O-N 3.07Å; T366-E368 WeakPolarHBondContact CB-OE2 3.42Å; T366-E368 PolarHBondContact O-N 3.02Å; T366-E368 PolarHBondContact OG1-OE2 3.1Å; T366-V369 PolarHBondContact O-N 3.07Å; T366-V369 PolarHBondContact OG1-N 2.93Å; T366-Y370 WeakPolarHBondContact O-CD2 3.37Å; T366-Y370 PolarHBondContact O-N 3.31Å; T366-Y370 VanDerWaalsContact O-N 3.07Å
367P89.4Confident90Very high60 Ų6067.9 Ų67.939%0.3937%0.368SS..Hα-helixtrans-57.9-37.2178-2335.1000112.3L75 Y370 A371L75-P367 HydrophobicContact CB-CG 4.32Å; L75-P367 VanDerWaalsContact O-CG 3.23Å; L75-P367 WeakPolarHBondContact O-CG 3.46Å; P367-Y370 PolarHBondContact O-N 2.89Å; P367-A371 WeakPolarHBondContact O-CB 3.43Å; P367-A371 PolarHBondContact O-N 3.13Å
368E90.3Very high88.6Confident132 Ų13262 Ų6262%0.61735%0.348SS*.Hα-helixtrans-64.7-43.5-179.6-55.173.6-156.800111.1T366 A371 T372T366-E368 WeakPolarHBondContact CB-OE2 3.42Å; T366-E368 PolarHBondContact O-N 3.02Å; T366-E368 PolarHBondContact OG1-OE2 3.1Å; E368-A371 PolarHBondContact O-N 3.33Å; E368-T372 WeakPolarHBondContact O-CG2 3.26Å
369V90.4Very high86.7Confident23 Ų2364.1 Ų64.114%0.13937%0.371CS..Hα-helixtrans-67.5-42.2177.9-179.30000110.2A29 I32 T366 A371 T372A29-V369 HydrophobicContact CB-CG1 4.35Å; I32-V369 HydrophobicContact CD1-CB 4.47Å; I32-V369 HydrophobicContact CD1-CG1 3.57Å; T366-V369 PolarHBondContact O-N 3.07Å; T366-V369 PolarHBondContact OG1-N 2.93Å; V369-A371 VanDerWaalsContact C-N 3.31Å; V369-A371 PolarHBondContact O-N 3.13Å; V369-T372 WeakPolarHBondContact O-CB 3.42Å; V369-T372 PolarHBondContact O-N 3.25Å; V369-T372 PolarHBondContact O-OG1 2.78Å
370Y90.6Very high84.3Confident8 Ų872.7 Ų72.73%0.03141%0.406CS..Hα-helixtrans-71.5-23.6-179.5-84-106.9000113.7I32 G70 F71 L75 K83 L84 C365 T366 P367 T372 F373I32-Y370 HydrophobicContact CD1-CE2 3.81Å; G70-Y370 VanDerWaalsContact C-CE1 3.49Å; G70-Y370 WeakPolarHBondContact CA-OH 3.25Å; G70-Y370 WeakPolarHBondContact O-CE1 3.44Å; F71-Y370 HydrophobicContact CD1-CE1 4.2Å; L75-Y370 HydrophobicContact CD1-CD1 3.62Å; L75-Y370 HydrophobicContact CD1-CD2 3.39Å; L75-Y370 HydrophobicContact CD1-CE1 4.04Å; L75-Y370 HydrophobicContact CD1-CE2 3.88Å; L75-Y370 HydrophobicContact CD1-CG 3.25Å; K83-Y370 WeakPolarHBondContact CE-O 3.48Å; K83-Y370 PolarHBondContact NZ-O 3.34Å; L84-Y370 HydrophobicContact CD1-CD1 3.63Å; L84-Y370 HydrophobicContact CD1-CE1 3.59Å; C365-Y370 HydrophobicContact CB-CE2 3.71Å; C365-Y370 PolarHBondContact SG-OH 3.48Å; T366-Y370 WeakPolarHBondContact O-CD2 3.37Å; T366-Y370 PolarHBondContact O-N 3.31Å; T366-Y370 VanDerWaalsContact O-N 3.07Å; P367-Y370 PolarHBondContact O-N 2.89Å; Y370-T372 PolarHBondContact O-N 3.19Å; Y370-F373 PolarHBondContact O-N 3.12Å
371A89.1Confident81.8Confident73 Ų7373.4 Ų73.460%0.60341%0.405SS*.Hα-helixtrans-62.5-29.8168.400000112.1P367 E368 V369 F373P367-A371 WeakPolarHBondContact O-CB 3.43Å; P367-A371 PolarHBondContact O-N 3.13Å; E368-A371 PolarHBondContact O-N 3.33Å; V369-A371 VanDerWaalsContact C-N 3.31Å; V369-A371 PolarHBondContact O-N 3.13Å; A371-F373 VanDerWaalsContact C-N 3.25Å; A371-F373 PolarHBondContact O-N 3.07Å
372T90.9Very high79.1Confident48 Ų4877.1 Ų77.129%0.29442%0.421SS..THydrogen-bonded Turntrans-76.8-6.1179.373.70000114.6G25 S26 E368 V369 Y370 D374G25-T372 PolarHBondContact N-O 3.23Å; G25-T372 VanDerWaalsContact N-O 3.13Å; S26-T372 WeakPolarHBondContact CB-OG1 3.18Å; S26-T372 PolarHBondContact OG-OG1 3.49Å; E368-T372 WeakPolarHBondContact O-CG2 3.26Å; V369-T372 WeakPolarHBondContact O-CB 3.42Å; V369-T372 PolarHBondContact O-N 3.25Å; V369-T372 PolarHBondContact O-OG1 2.78Å; Y370-T372 PolarHBondContact O-N 3.19Å; T372-D374 PolarHBondContact O-N 2.89Å
373F89.4Confident76.3Confident0 Ų084.8 Ų84.80%045%0.451CS..BIsolated β-bridgetrans-78.4106.1169.2-73.3-102.5000110V23 A24 A29 K83 L84 Y370 A371V23-F373 HydrophobicContact CG1-CB 4.33Å; V23-F373 HydrophobicContact CG1-CD1 4.18Å; V23-F373 CarbonylContact O-C 3.55Å; V23-F373 VanDerWaalsContact O-CA 3.27Å; V23-F373 WeakPolarHBondContact O-CA 3.27Å; A24-F373 HydrophobicContact CB-CE1 4.41Å; A29-F373 HydrophobicContact CB-CD2 3.98Å; A29-F373 HydrophobicContact CB-CE1 4.35Å; A29-F373 HydrophobicContact CB-CE2 3.46Å; A29-F373 VanDerWaalsContact CB-CE2 3.46Å; A29-F373 HydrophobicContact CB-CZ 3.67Å; K83-F373 WeakPolarHBondContact CE-O 3.45Å; K83-F373 PolarHBondContact NZ-O 2.94Å; L84-F373 HydrophobicContact CD1-CB 4.26Å; L84-F373 HydrophobicContact CD1-CD1 3.73Å; L84-F373 HydrophobicContact CD1-CD2 4.13Å; L84-F373 HydrophobicContact CD1-CE1 4.02Å; L84-F373 HydrophobicContact CD1-CE2 4.36Å; L84-F373 HydrophobicContact CD1-CG 3.78Å; L84-F373 HydrophobicContact CD1-CZ 4.31Å; L84-F373 HydrophobicContact CD2-CB 3.9Å; L84-F373 HydrophobicContact CD2-CD1 4.01Å; L84-F373 HydrophobicContact CD2-CG 4.15Å; Y370-F373 PolarHBondContact O-N 3.12Å; A371-F373 VanDerWaalsContact C-N 3.25Å; A371-F373 PolarHBondContact O-N 3.07Å
374D87.3Confident73.8Confident47 Ų4780.6 Ų80.625%0.25145%0.449SS..  trans-102.298.5-177-174-7.2000111V23 T372 T376 K377V23-D374 WeakPolarHBondContact CA-O 3.24Å; V23-D374 PolarHBondContact O-N 3.32Å; T372-D374 PolarHBondContact O-N 2.89Å; D374-T376 PolarHBondContact O-N 2.84Å; D374-T376 VanDerWaalsContact O-N 3.17Å; D374-T376 WeakPolarHBondContact OD1-CB 3.36Å; D374-T376 PolarHBondContact OD1-N 2.86Å; D374-T376 PolarHBondContact OD1-OG1 3.04Å; D374-T376 PolarHBondContact OD2-OG1 3.15Å; D374-K377 HydrophobicContact CB-CB 4.44Å; D374-K377 HydrophobicContact CB-CD 4.02Å; D374-K377 HydrophobicContact CB-CG 4.24Å; D374-K377 PolarHBondContact O-N 3.37Å; D374-K377 VanDerWaalsContact O-N 3.07Å; D374-K377 VanDerWaalsContact OD2-CD 3.28Å; D374-K377 WeakPolarHBondContact OD2-CD 3.31Å; D374-K377 WeakPolarHBondContact OD2-CE 3.45Å; D374-K377 WeakPolarHBondContact OD2-CG 3.49Å; D374-K377 IonicContact OD2-NZ 3.96Å; D374-K377 PolarHBondContact OD2-NZ 3.13Å
375L85.6Confident71Confident70 Ų7083.7 Ų83.737%0.36646%0.462SS..G310 helixtrans-63.2-21.1-178.5-60.7-172.6000113.1V23 K83 L84 M87 K377 G378V23-L375 HydrophobicContact CG1-CD2 4.02Å; K83-L375 HydrophobicContact CB-CD1 3.97Å; K83-L375 HydrophobicContact CD-CD1 4.15Å; K83-L375 HydrophobicContact CD-CG 4.4Å; K83-L375 HydrophobicContact CG-CD1 4.13Å; L84-L375 HydrophobicContact CD2-CD2 3.81Å; M87-L375 HydrophobicContact CE-CD2 3.65Å; M87-L375 HydrophobicContact CG-CD2 3.87Å; M87-L375 HydrophobicContact SD-CD2 3.25Å; M87-L375 WeakPolarHBondContact SD-CD2 3.39Å; M87-L375 HydrophobicContact SD-CG 4.46Å; L375-K377 PolarHBondContact O-N 3.34Å; L375-G378 PolarHBondContact O-N 3.37Å
376T83.2Confident68.4Low124 Ų12488.8 Ų88.876%0.76150%0.495SS*.G310 helixtrans-73.7-17.3177.674.20000112.8D374D374-T376 PolarHBondContact O-N 2.84Å; D374-T376 VanDerWaalsContact O-N 3.17Å; D374-T376 WeakPolarHBondContact OD1-CB 3.36Å; D374-T376 PolarHBondContact OD1-N 2.86Å; D374-T376 PolarHBondContact OD1-OG1 3.04Å; D374-T376 PolarHBondContact OD2-OG1 3.15Å
377K79.3Confident65.9Low123 Ų12396.7 Ų96.754%0.53553%0.525SS..G310 helixtrans-94.96.7177.3-65.6178.8-177.9161.60113.4G22 D374 L375G22-K377 VanDerWaalsContact O-CB 3.25Å; G22-K377 WeakPolarHBondContact O-CB 3.38Å; G22-K377 WeakPolarHBondContact O-CD 3.34Å; D374-K377 HydrophobicContact CB-CB 4.44Å; D374-K377 HydrophobicContact CB-CD 4.02Å; D374-K377 HydrophobicContact CB-CG 4.24Å; D374-K377 PolarHBondContact O-N 3.37Å; D374-K377 VanDerWaalsContact O-N 3.07Å; D374-K377 VanDerWaalsContact OD2-CD 3.28Å; D374-K377 WeakPolarHBondContact OD2-CD 3.31Å; D374-K377 WeakPolarHBondContact OD2-CE 3.45Å; D374-K377 WeakPolarHBondContact OD2-CG 3.49Å; D374-K377 IonicContact OD2-NZ 3.96Å; D374-K377 PolarHBondContact OD2-NZ 3.13Å; L375-K377 PolarHBondContact O-N 3.34Å
378G63.4Low63.5Low31 Ų31103.4 Ų103.432%0.3254%0.543SS..SBendtrans-55.5145168.300000110.8V23 L375 K380V23-G378 VanDerWaalsContact CG2-CA 3.4Å; L375-G378 PolarHBondContact O-N 3.37Å; G378-K380 PolarHBondContact O-N 3.02Å
379A54.2Low61.2Low70 Ų70105.6 Ų105.658%0.57955%0.553SS**  trans-46.7115.7-174.700000111.6D381A379-D381 PolarHBondContact O-N 2.8Å; A379-D381 VanDerWaalsContact O-N 3.1Å
380K43.9Very low59.2Low202 Ų202112.9 Ų112.988%0.87859%0.585SS**SBendtrans-53.5114.8157.9-74.7-179176.7179.40106.8G378G378-K380 PolarHBondContact O-N 3.02Å
381D40.2Very low57.4Low144 Ų144118.8 Ų118.877%0.7761%0.613SS**  trans24.695.9165.6-66.7-43.4000115.5A379 K383A379-D381 PolarHBondContact O-N 2.8Å; A379-D381 VanDerWaalsContact O-N 3.1Å; D381-K383 PolarHBondContact O-N 3.08Å
382E37.3Very low56.3Low137 Ų137120.6 Ų120.664%0.6462%0.616SS**  trans-63.889.1137.4-85.1-146.9148.700105.9A384 K385E382-A384 PolarHBondContact O-N 2.99Å; E382-K385 IonicContact OE1-NZ 2.72Å; E382-K385 PolarHBondContact OE1-NZ 3.4Å; E382-K385 IonicContact OE2-NZ 3.69Å
383K34.6Very low55.7Low185 Ų185118.8 Ų118.880%0.80461%0.605SS**  trans-39.2115.5159.7-80.6180174.4178.70107.5D381 K385D381-K383 PolarHBondContact O-N 3.08Å; K383-K385 PolarHBondContact O-N 3.45Å
384A40.2Very low55.1Low100 Ų100127.2 Ų127.283%0.82664%0.642SS**  trans5.182.1162.400000113.9E382E382-A384 PolarHBondContact O-N 2.99Å
385K30.5Very low54.8Low128 Ų128128.7 Ų128.756%0.55765%0.654SS**  trans-65128.7152.7-85.4173.3-179.5155.20105.7E382 K383 K387E382-K385 IonicContact OE1-NZ 2.72Å; E382-K385 PolarHBondContact OE1-NZ 3.4Å; E382-K385 IonicContact OE2-NZ 3.69Å; K383-K385 PolarHBondContact O-N 3.45Å; K385-K387 PolarHBondContact O-N 3.03Å
386P35Very low54.5Low115 Ų115127 Ų12775%0.74764%0.644SS**  trans-55139.4-178.525.6-32.6000107.7R388P386-R388 PolarHBondContact O-N 2.69Å
387K39.1Very low54.2Low210 Ų210129.7 Ų129.791%0.91365%0.645SS**  trans-20.897.7176.4-83177.2171.4-179.90109.7K385 E389K385-K387 PolarHBondContact O-N 3.03Å; K387-E389 PolarHBondContact O-N 2.9Å
388R40.3Very low53.9Low202 Ų202124.8 Ų124.876%0.76262%0.624SS**  trans-53.7118.3160.3-94.9-177.9173.2178.1-2.1102.9P386 E390P386-R388 PolarHBondContact O-N 2.69Å; R388-E390 PolarHBondContact O-N 2.73Å
389E40.5Very low54.1Low178 Ų178125 Ų12583%0.83262%0.62SS**  trans-32.1126.6169.7-67.9173.4159.500107.4K387 E391K387-E389 PolarHBondContact O-N 2.9Å; E389-E391 VanDerWaalsContact C-N 3.32Å; E389-E391 WeakPolarHBondContact O-CA 3.42Å; E389-E391 PolarHBondContact O-N 3.39Å
390E47.8Very low54.2Low175 Ų175128.3 Ų128.382%0.81863%0.628SS**  trans-43.7103.6-179.2-76.6178164.800107.9R388 V392R388-E390 PolarHBondContact O-N 2.73Å; E390-V392 VanDerWaalsContact C-N 3.29Å; E390-V392 WeakPolarHBondContact O-CG2 3.46Å; E390-V392 PolarHBondContact O-N 3.11Å
391E53.3Low54.8Low133 Ų133121 Ų12162%0.62160%0.599SS**  trans-63.7102.8-171.6-146.6178-161.200104.7E389 I393E389-E391 VanDerWaalsContact C-N 3.32Å; E389-E391 WeakPolarHBondContact O-CA 3.42Å; E389-E391 PolarHBondContact O-N 3.39Å; E391-I393 PolarHBondContact O-N 3.47Å
392V65.9Low55.1Low110 Ų110123.1 Ų123.167%0.66760%0.601SS**  trans-61.2109.7-171177.20000105.5E390 K394E390-V392 VanDerWaalsContact C-N 3.29Å; E390-V392 WeakPolarHBondContact O-CG2 3.46Å; E390-V392 PolarHBondContact O-N 3.11Å; V392-K394 PolarHBondContact O-N 3.04Å
393I78.4Confident55.5Low11 Ų11120.5 Ų120.56%0.05660%0.596CS.*  trans-62112.1176.9-70.4-179.9000105.9A12 A14 K91 T93 P101 E391A12-I393 HydrophobicContact CB-CG2 3.44Å; A12-I393 VanDerWaalsContact CB-CG2 3.44Å; A14-I393 HydrophobicContact CB-CD1 4.17Å; A14-I393 HydrophobicContact CB-CG1 4.49Å; K91-I393 HydrophobicContact CB-CD1 4.09Å; K91-I393 HydrophobicContact CD-CD1 3.45Å; K91-I393 VanDerWaalsContact CD-CD1 3.45Å; K91-I393 HydrophobicContact CD-CG1 4.14Å; K91-I393 HydrophobicContact CG-CD1 3.48Å; K91-I393 VanDerWaalsContact CG-CD1 3.48Å; T93-I393 HydrophobicContact CG2-CB 4.1Å; T93-I393 HydrophobicContact CG2-CG2 3.86Å; P101-I393 HydrophobicContact CB-CD1 3.77Å; P101-I393 HydrophobicContact CG-CD1 4.3Å; E391-I393 PolarHBondContact O-N 3.47Å
394K78.2Confident56.2Low177 Ų177116 Ų11677%0.7758%0.577SS**PPolyproline II helixtrans-65.1134.5177.7-66.8-177.8-178.3177.10107.8A12 V392A12-K394 WeakPolarHBondContact CB-O 3.45Å; V392-K394 PolarHBondContact O-N 3.04Å
395P79.3Confident56.3Low78 Ų78120.9 Ų120.951%0.50658%0.58SS.*PPolyproline II helixtrans-49.8144.3170.2-23.429.9000110.5N99 K397N99-P395 WeakPolarHBondContact OD1-CG 3.38Å; P395-K397 PolarHBondContact O-N 3.06Å
396M80.7Confident56.8Low34 Ų34120.5 Ų120.517%0.16758%0.584CS.*PPolyproline II helixtrans-61.7122.8171.2-171.8162-76.900107.8L10 L44 F47 T48 E398L10-M396 HydrophobicContact CB-CB 4.25Å; L10-M396 HydrophobicContact CB-CG 4.43Å; L10-M396 HydrophobicContact CB-SD 3.9Å; L10-M396 HydrophobicContact CD1-CG 4.36Å; L10-M396 HydrophobicContact CD1-SD 3.76Å; L10-M396 HydrophobicContact CG-SD 4.35Å; L44-M396 HydrophobicContact CD2-CE 3.91Å; F47-M396 HydrophobicContact CB-CE 4.38Å; F47-M396 HydrophobicContact CB-SD 3.53Å; F47-M396 VanDerWaalsContact CB-SD 3.53Å; F47-M396 HydrophobicContact CD2-CE 3.91Å; F47-M396 HydrophobicContact CD2-SD 4.06Å; F47-M396 HydrophobicContact CG-SD 4.21Å; T48-M396 HydrophobicContact CG2-CG 3.33Å; T48-M396 HydrophobicContact CG2-SD 3.96Å; M396-E398 VanDerWaalsContact C-N 3.32Å; M396-E398 PolarHBondContact O-N 3.28Å
397K75.4Confident57.1Low180 Ų180115.6 Ų115.678%0.78355%0.552SS**  trans-75.689.2-177-172.1-178.6179.1-176.80108.8T48 P395T48-K397 VanDerWaalsContact CG2-O 3.26Å; T48-K397 WeakPolarHBondContact CG2-O 3.17Å; P395-K397 PolarHBondContact O-N 3.06Å
398E73.9Confident57.1Low21 Ų21106.9 Ų106.910%0.09852%0.522CS..  trans-64.9143.4176.9-58.5-154.1-160.400110.4P9 L10 K124 M396 D400 S412P9-E398 WeakPolarHBondContact CA-OE1 3.26Å; L10-E398 HydrophobicContact CD1-CG 4.15Å; L10-E398 PolarHBondContact N-OE1 3.02Å; K124-E398 WeakPolarHBondContact CD-OE2 3.41Å; K124-E398 VanDerWaalsContact CE-OE1 3.32Å; K124-E398 WeakPolarHBondContact CE-OE1 3.44Å; K124-E398 WeakPolarHBondContact CE-OE2 3.49Å; K124-E398 IonicContact NZ-OE1 3.68Å; K124-E398 PolarHBondContact NZ-OE1 2.98Å; K124-E398 IonicContact NZ-OE2 3.26Å; K124-E398 PolarHBondContact NZ-OE2 3.36Å; M396-E398 VanDerWaalsContact C-N 3.32Å; M396-E398 PolarHBondContact O-N 3.28Å; E398-D400 PolarHBondContact O-N 3.39Å; E398-S412 WeakPolarHBondContact CB-OXT 3.25Å; E398-S412 VanDerWaalsContact CD-C 3.42Å; E398-S412 WeakPolarHBondContact CG-OXT 3.22Å; E398-S412 VanDerWaalsContact OE2-O 3.11Å
399P67.4Low57Low36 Ų3697.8 Ų97.823%0.23449%0.489CS..  trans-63.6128.4179.723.2-30.9000110.6T50 L401T50-P399 HydrophobicContact CG2-CB 3.39Å; T50-P399 HydrophobicContact CG2-CG 3.65Å; P399-L401 VanDerWaalsContact C-N 3.29Å; P399-L401 PolarHBondContact O-N 3.21Å
400D56Low56.8Low138 Ų13891.5 Ų91.574%0.73846%0.463SS*.  trans-65.687.6172.1-76.8-41.9000109.7E398 K402E398-D400 PolarHBondContact O-N 3.39Å; D400-K402 PolarHBondContact O-N 3.1Å; D400-K402 VanDerWaalsContact O-N 3.12Å
401L56Low56.2Low50 Ų5084 Ų8426%0.26243%0.428SS..BIsolated β-bridgetrans-77.6101.4174-69.1165.7000107.4R128 P399 I411R128-L401 HydrophobicContact CG-CD1 3.97Å; P399-L401 VanDerWaalsContact C-N 3.29Å; P399-L401 PolarHBondContact O-N 3.21Å; L401-I411 HydrophobicContact CB-CB 4.22Å; L401-I411 HydrophobicContact CD1-CB 3.66Å; L401-I411 HydrophobicContact CD1-CD1 4.18Å; L401-I411 HydrophobicContact CD1-CG1 4.49Å; L401-I411 HydrophobicContact CD1-CG2 3.67Å
402K46.6Very low55.2Low187 Ų18780.1 Ų80.181%0.81342%0.416SS*.PPolyproline II helixtrans-49.7131.1177.7-71.7-176.7-179.4177.90109.5D400 Q404D400-K402 PolarHBondContact O-N 3.1Å; D400-K402 VanDerWaalsContact O-N 3.12Å; K402-Q404 PolarHBondContact O-N 2.99Å; K402-Q404 VanDerWaalsContact O-N 3.14Å
403P46.3Very low54.7Low82 Ų8278.7 Ų78.753%0.53240%0.403SS..PPolyproline II helixtrans-60.1121.1175.723.2-31.3000109
404Q49.1Very low53.5Low90 Ų9082.2 Ų82.242%0.42142%0.422SS..PPolyproline II helixtrans-65.7136165.5-80-177.3-26.500107.7E133 K402 D406 T407 G408E133-Q404 HydrophobicContact CG-CB 4.39Å; K402-Q404 PolarHBondContact O-N 2.99Å; K402-Q404 VanDerWaalsContact O-N 3.14Å; Q404-D406 PolarHBondContact O-N 2.79Å; Q404-T407 HydrophobicContact CB-CG2 4.48Å; Q404-T407 WeakPolarHBondContact CB-OG1 3.49Å; Q404-T407 PolarHBondContact O-N 3.38Å; Q404-T407 VanDerWaalsContact O-N 3.07Å; Q404-G408 PolarHBondContact O-N 2.84Å
405K42.4Very low52.1Low203 Ų20376.9 Ų76.988%0.88340%0.402SS*.THydrogen-bonded Turntrans-53.3-28.7-165.3-82.8-178.2174.1179.30113
406D41.3Very low50.5Low120 Ų12076.9 Ų76.964%0.64240%0.396SS*.THydrogen-bonded Turntrans-110.3-4.1-175.1-64.9-21.1000114.7Q404Q404-D406 PolarHBondContact O-N 2.79Å
407T42.1Very low48.6Very low13 Ų1379.6 Ų79.68%0.0841%0.411CS..THydrogen-bonded Turntrans-109.9-16.7-176.769.50000113.6G131 E133 Q306 Q404 C409G131-T407 WeakPolarHBondContact O-CB 3.02Å; G131-T407 WeakPolarHBondContact O-CG2 3.28Å; G131-T407 PolarHBondContact O-OG1 3.09Å; E133-T407 HydrophobicContact CB-CG2 4.43Å; E133-T407 HydrophobicContact CG-CG2 3.62Å; Q306-T407 PolarHBondContact NE2-O 3.18Å; Q404-T407 HydrophobicContact CB-CG2 4.48Å; Q404-T407 WeakPolarHBondContact CB-OG1 3.49Å; Q404-T407 PolarHBondContact O-N 3.38Å; Q404-T407 VanDerWaalsContact O-N 3.07Å; T407-C409 PolarHBondContact O-N 2.99Å
408G38.9Very low46.8Very low27 Ų2772.9 Ų72.928%0.27839%0.386SS..  trans51.915173.100000114.9Q306 Q404 V410Q306-G408 PolarHBondContact NE2-O 3.12Å; Q404-G408 PolarHBondContact O-N 2.84Å; G408-V410 PolarHBondContact O-N 2.72Å; G408-V410 VanDerWaalsContact O-N 3.14Å
409C38.3Very low44.9Very low11 Ų1176.6 Ų76.67%0.07441%0.406CS..  trans-85.892-173.9-155.60000106.7T407 I411T407-C409 PolarHBondContact O-N 2.99Å; C409-I411 PolarHBondContact O-N 2.9Å
410V35Very low43.1Very low46 Ų4679.7 Ų79.728%0.27942%0.42SS..  trans-77.7102.2170-172.80000105.9S299 G408 S412S299-V410 VanDerWaalsContact CB-CG1 3.49Å; S299-V410 PolarHBondContact OG-O 3.5Å; G408-V410 PolarHBondContact O-N 2.72Å; G408-V410 VanDerWaalsContact O-N 3.14Å; V410-S412 WeakPolarHBondContact CG1-OG 3.42Å
411I35.2Very low42.1Very low16 Ų1674.8 Ų74.88%0.08239%0.393CS..BIsolated β-bridgetrans-94.3108.5170.2-58.8175.6000104.9R128 L401 C409R128-I411 HydrophobicContact CB-CD1 3.51Å; R128-I411 HydrophobicContact CG-CD1 4.01Å; L401-I411 HydrophobicContact CB-CB 4.22Å; L401-I411 HydrophobicContact CD1-CB 3.66Å; L401-I411 HydrophobicContact CD1-CD1 4.18Å; L401-I411 HydrophobicContact CD1-CG1 4.49Å; L401-I411 HydrophobicContact CD1-CG2 3.67Å; C409-I411 PolarHBondContact O-N 2.9Å
412S33.6Very low40.8Very low53 Ų5377.1 Ų77.137%0.37141%0.405SS..  trans-128.40172.3-55.10000109.2K124 E398 V410K124-S412 PolarHBondContact NZ-O 2.93Å; E398-S412 WeakPolarHBondContact CB-OXT 3.25Å; E398-S412 VanDerWaalsContact CD-C 3.42Å; E398-S412 WeakPolarHBondContact CG-OXT 3.22Å; E398-S412 VanDerWaalsContact OE2-O 3.11Å; V410-S412 WeakPolarHBondContact CG1-OG 3.42Å

Retrieved 412 of 412 residues in 374.4 ms (Link to these results)

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