A0A2K6CZF0_MACNE Loading...

Ceramide-1-phosphate transfer protein

AlphaFold DB , UniProt , Accession A0A2K6CZF0, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene CPTP, Length 214 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
1M31.3Very low54.4Low246 Ų246105.1 Ų105.1100%1.21257%0.573SS**  0118.60-85.4170.2170.600105.7D3M1-D3 PolarHBondContact O-N 3.16Å
2D33.8Very low57.3Low140 Ų140104.7 Ų104.775%0.74958%0.576SS**  trans-78.2111-165.6-168.73.2000109.2S4D2-S4 PolarHBondContact O-N 2.8Å; D2-S4 WeakPolarHBondContact OD1-CB 3.31Å; D2-S4 PolarHBondContact OD1-OG 2.91Å; D2-S4 PolarHBondContact OD2-OG 3.39Å
3D35Very low59.8Low154 Ų15497.3 Ų97.382%0.82454%0.536SS*.  trans-89.522.2-176.9-139.712.8000111.3M1M1-D3 PolarHBondContact O-N 3.16Å
4S38.8Very low61.8Low83 Ų8390.4 Ų90.458%0.5850%0.497SS*.  trans-93.63.5-166.467.30000116D2D2-S4 PolarHBondContact O-N 2.8Å; D2-S4 WeakPolarHBondContact OD1-CB 3.31Å; D2-S4 PolarHBondContact OD1-OG 2.91Å; D2-S4 PolarHBondContact OD2-OG 3.39Å
5E38.9Very low63.5Low182 Ų18287.9 Ų87.985%0.8549%0.486SS*.  trans-122.629-174.5-85.1-168.4165.100115.8
6T45.5Very low65.3Low124 Ų12483.9 Ų83.976%0.76147%0.466SS*.SBendtrans-95.890.2155.142.30000108.9F8T6-F8 PolarHBondContact O-N 3.4Å
7G55.4Low67Low47 Ų4778.9 Ų78.949%0.48544%0.438SS..  trans-47.6126.3177.200000111N9 N176G7-N9 PolarHBondContact O-N 3.06Å; G7-N9 VanDerWaalsContact O-N 3.1Å; G7-N176 PolarHBondContact O-ND2 3.47Å
8F68.4Low68.6Low42 Ų4282.2 Ų82.218%0.18445%0.447CS..  trans-51.9117.4-178.2177.5-87.5000110.6T6 L10 V13 G38 R41 F42 N176T6-F8 PolarHBondContact O-N 3.4Å; F8-L10 HydrophobicContact CE1-CB 3.9Å; F8-L10 HydrophobicContact CE1-CD1 3.91Å; F8-L10 HydrophobicContact CZ-CD1 4.19Å; F8-V13 HydrophobicContact CE2-CG2 3.81Å; F8-V13 HydrophobicContact CZ-CB 4.28Å; F8-V13 HydrophobicContact CZ-CG2 3.55Å; F8-G38 WeakPolarHBondContact CE2-O 3.49Å; F8-G38 VanDerWaalsContact CZ-O 3.32Å; F8-G38 WeakPolarHBondContact CZ-O 3.32Å; F8-R41 HydrophobicContact CD2-CB 4.01Å; F8-R41 HydrophobicContact CE2-CB 3.84Å; F8-F42 HydrophobicContact CD1-CB 4.07Å; F8-F42 AromaticContact CD1-CD2 3.57Å; F8-F42 HydrophobicContact CD1-CD2 3.57Å; F8-F42 HydrophobicContact CD1-CG 4.23Å; F8-F42 HydrophobicContact CE1-CB 3.26Å; F8-F42 AromaticContact CE1-CD2 3.26Å; F8-F42 HydrophobicContact CE1-CD2 3.26Å; F8-F42 HydrophobicContact CE1-CE2 4.33Å; F8-F42 AromaticContact CE1-CG 3.54Å; F8-F42 HydrophobicContact CE1-CG 3.54Å; F8-F42 HydrophobicContact CE2-CB 4.02Å; F8-F42 HydrophobicContact CZ-CB 3.26Å; F8-F42 HydrophobicContact CZ-CD2 4.2Å; F8-F42 HydrophobicContact CZ-CG 4.05Å; F8-N176 VanDerWaalsContact O-CB 3.29Å; F8-N176 WeakPolarHBondContact O-CB 3.49Å
9N80.1Confident70Confident59 Ų5984.9 Ų84.932%0.31646%0.457SS..  trans-104.2106.9179.9-173.8-39.4000110G7 K11 V12G7-N9 PolarHBondContact O-N 3.06Å; G7-N9 VanDerWaalsContact O-N 3.1Å; N9-K11 PolarHBondContact O-N 3.32Å; N9-K11 WeakPolarHBondContact OD1-CA 3.14Å; N9-K11 WeakPolarHBondContact OD1-CB 3.39Å; N9-K11 PolarHBondContact OD1-N 3.48Å; N9-V12 HydrophobicContact CB-CG2 4.09Å; N9-V12 PolarHBondContact O-N 3.1Å; N9-V12 PolarHBondContact OD1-N 3.03Å
10L84Confident71.4Confident1 Ų180.7 Ų80.71%0.00543%0.434CS..Hα-helixtrans-64.7-28.7-177.4-173.661000112.2F8 V12 V13 L14 L39 F42 M175 M186F8-L10 HydrophobicContact CE1-CB 3.9Å; F8-L10 HydrophobicContact CE1-CD1 3.91Å; F8-L10 HydrophobicContact CZ-CD1 4.19Å; L10-V12 VanDerWaalsContact C-N 3.31Å; L10-V12 PolarHBondContact O-N 3.19Å; L10-V13 HydrophobicContact CD1-CB 4.39Å; L10-V13 PolarHBondContact O-N 3.4Å; L10-V13 VanDerWaalsContact O-N 3.14Å; L10-L14 HydrophobicContact CD1-CD1 4.45Å; L10-L14 HydrophobicContact CD1-CD2 4.17Å; L10-L14 HydrophobicContact CD1-CG 4.04Å; L10-L14 HydrophobicContact CD2-CD1 4.11Å; L10-L14 HydrophobicContact CG-CD1 3.83Å; L10-L14 HydrophobicContact CG-CD2 4.43Å; L10-L14 HydrophobicContact CG-CG 3.88Å; L10-L14 WeakPolarHBondContact O-CG 3.42Å; L10-L14 PolarHBondContact O-N 2.84Å; L10-L39 HydrophobicContact CD1-CD2 4.39Å; L10-F42 HydrophobicContact CD1-CB 4.25Å; L10-F42 HydrophobicContact CD1-CD1 3.94Å; L10-F42 HydrophobicContact CD1-CD2 4.29Å; L10-F42 HydrophobicContact CD1-CE1 4.38Å; L10-F42 HydrophobicContact CD1-CG 3.89Å; L10-F42 HydrophobicContact CD2-CD1 4.4Å; L10-F42 HydrophobicContact CD2-CE1 4Å; L10-F42 HydrophobicContact CD2-CE2 4.24Å; L10-F42 HydrophobicContact CD2-CZ 3.92Å; L10-M175 HydrophobicContact CB-CB 4.1Å; L10-M175 HydrophobicContact CB-CG 4.41Å; L10-M175 HydrophobicContact CD2-CB 4.27Å; L10-M175 HydrophobicContact CD2-CE 3.74Å; L10-M175 HydrophobicContact CD2-CG 3.67Å; L10-M175 HydrophobicContact CD2-SD 3.7Å; L10-M175 PolarHBondContact N-O 3.15Å; L10-M186 HydrophobicContact CB-CE 4.35Å; L10-M186 HydrophobicContact CD2-CE 4.42Å; L10-M186 HydrophobicContact CG-CE 4.44Å
11K87.4Confident72.7Confident78 Ų7878.2 Ų78.234%0.33942%0.42SS..Hα-helixtrans-57.8-45176.8-171.2171.4-173155.30111.4N9 V13 L14 V15 V177 M186 E189N9-K11 PolarHBondContact O-N 3.32Å; N9-K11 WeakPolarHBondContact OD1-CA 3.14Å; N9-K11 WeakPolarHBondContact OD1-CB 3.39Å; N9-K11 PolarHBondContact OD1-N 3.48Å; K11-V13 VanDerWaalsContact C-N 3.27Å; K11-V13 PolarHBondContact O-N 3.03Å; K11-L14 PolarHBondContact O-N 3.37Å; K11-V15 HydrophobicContact CG-CG2 4.09Å; K11-V15 VanDerWaalsContact O-CB 3.3Å; K11-V15 WeakPolarHBondContact O-CB 3.47Å; K11-V15 VanDerWaalsContact O-CG2 3.23Å; K11-V15 WeakPolarHBondContact O-CG2 3.23Å; K11-V15 PolarHBondContact O-N 2.65Å; K11-V177 HydrophobicContact CB-CG1 4.02Å; K11-M186 HydrophobicContact CB-CG 3.67Å; K11-M186 HydrophobicContact CB-SD 3.82Å; K11-M186 HydrophobicContact CD-CG 3.71Å; K11-M186 HydrophobicContact CG-CG 3.61Å; K11-M186 HydrophobicContact CG-SD 4.06Å; K11-E189 IonicContact NZ-OE2 3.78Å; K11-E189 PolarHBondContact NZ-OE2 3.07Å
12V88.9Confident75.7Confident100 Ų10068.5 Ų68.561%0.60637%0.374SS*.Hα-helixtrans-59.7-42.3179.3177.10000110.5N9 L10 S16N9-V12 HydrophobicContact CB-CG2 4.09Å; N9-V12 PolarHBondContact O-N 3.1Å; N9-V12 PolarHBondContact OD1-N 3.03Å; L10-V12 VanDerWaalsContact C-N 3.31Å; L10-V12 PolarHBondContact O-N 3.19Å; V12-S16 WeakPolarHBondContact O-CB 3.4Å; V12-S16 PolarHBondContact O-N 3.49Å
13V90.3Very high78.6Confident9 Ų971.4 Ų71.46%0.05538%0.383CS..Hα-helixtrans-67.8-48.41791740000111.6F8 L10 K11 V15 S16 L39F8-V13 HydrophobicContact CE2-CG2 3.81Å; F8-V13 HydrophobicContact CZ-CB 4.28Å; F8-V13 HydrophobicContact CZ-CG2 3.55Å; L10-V13 HydrophobicContact CD1-CB 4.39Å; L10-V13 PolarHBondContact O-N 3.4Å; L10-V13 VanDerWaalsContact O-N 3.14Å; K11-V13 VanDerWaalsContact C-N 3.27Å; K11-V13 PolarHBondContact O-N 3.03Å; V13-V15 PolarHBondContact O-N 3.32Å; V13-S16 WeakPolarHBondContact O-CB 3.28Å; V13-S16 PolarHBondContact O-N 2.94Å; V13-S16 PolarHBondContact O-OG 3.28Å; V13-L39 HydrophobicContact CG1-CD2 3.74Å; V13-L39 HydrophobicContact CG1-CG 3.82Å
14L87.3Confident81.4Confident0 Ų071.8 Ų71.80%038%0.377CS..Hα-helixtrans-67.2-37.6-178.4-59.5177.4000111.8L10 K11 S16 F17 L39 L122 M186 L187 A190 I194L10-L14 HydrophobicContact CD1-CD1 4.45Å; L10-L14 HydrophobicContact CD1-CD2 4.17Å; L10-L14 HydrophobicContact CD1-CG 4.04Å; L10-L14 HydrophobicContact CD2-CD1 4.11Å; L10-L14 HydrophobicContact CG-CD1 3.83Å; L10-L14 HydrophobicContact CG-CD2 4.43Å; L10-L14 HydrophobicContact CG-CG 3.88Å; L10-L14 WeakPolarHBondContact O-CG 3.42Å; L10-L14 PolarHBondContact O-N 2.84Å; K11-L14 PolarHBondContact O-N 3.37Å; L14-S16 VanDerWaalsContact C-N 3.3Å; L14-S16 PolarHBondContact O-N 3.49Å; L14-F17 WeakPolarHBondContact O-CB 3.48Å; L14-F17 PolarHBondContact O-N 2.9Å; L14-L39 HydrophobicContact CD2-CD2 4.14Å; L14-L122 HydrophobicContact CD1-CD1 4.48Å; L14-L122 HydrophobicContact CD2-CD1 3.98Å; L14-M186 HydrophobicContact CD1-CE 4.18Å; L14-M186 HydrophobicContact CD1-SD 3.89Å; L14-L187 HydrophobicContact CD1-CD2 3.76Å; L14-A190 HydrophobicContact CB-CB 3.43Å; L14-A190 VanDerWaalsContact CB-CB 3.43Å; L14-A190 HydrophobicContact CD1-CB 4.05Å; L14-A190 HydrophobicContact CG-CB 4.4Å; L14-I194 HydrophobicContact CD2-CD1 3.48Å; L14-I194 VanDerWaalsContact CD2-CD1 3.48Å
15V88.1Confident84Confident54 Ų5472 Ų7233%0.32737%0.369SS..Hα-helixtrans-69.8-27.4175.4174.10000111.8K11 V13 F17 K18 A190 F193K11-V15 HydrophobicContact CG-CG2 4.09Å; K11-V15 VanDerWaalsContact O-CB 3.3Å; K11-V15 WeakPolarHBondContact O-CB 3.47Å; K11-V15 VanDerWaalsContact O-CG2 3.23Å; K11-V15 WeakPolarHBondContact O-CG2 3.23Å; K11-V15 PolarHBondContact O-N 2.65Å; V13-V15 PolarHBondContact O-N 3.32Å; V15-F17 PolarHBondContact O-N 3.34Å; V15-F17 VanDerWaalsContact O-N 3.15Å; V15-K18 WeakPolarHBondContact O-CB 3.37Å; V15-K18 PolarHBondContact O-N 3.25Å; V15-A190 HydrophobicContact CG2-CB 4.36Å; V15-F193 HydrophobicContact CG2-CE2 4.34Å
16S92.5Very high86.8Confident23 Ų2365 Ų6516%0.16134%0.336CS..Hα-helixtrans-61.5-22.3176.773.10000113.4V12 V13 L14 K18 Q19 S35V12-S16 WeakPolarHBondContact O-CB 3.4Å; V12-S16 PolarHBondContact O-N 3.49Å; V13-S16 WeakPolarHBondContact O-CB 3.28Å; V13-S16 PolarHBondContact O-N 2.94Å; V13-S16 PolarHBondContact O-OG 3.28Å; L14-S16 VanDerWaalsContact C-N 3.3Å; L14-S16 PolarHBondContact O-N 3.49Å; S16-K18 PolarHBondContact O-N 2.9Å; S16-K18 VanDerWaalsContact O-N 3.14Å; S16-Q19 WeakPolarHBondContact O-CB 3.28Å; S16-Q19 PolarHBondContact O-N 2.93Å; S16-S35 PolarHBondContact OG-OG 2.84Å; S16-S35 VanDerWaalsContact OG-OG 3.05Å
17F93.7Very high89.3Confident0 Ų059.1 Ų59.10%030%0.3CS..G310 helixtrans-60.8-22.7171-78.9-86.6000113.4L14 V15 Q19 C20 L39 L115 F193 I194 V197L14-F17 WeakPolarHBondContact O-CB 3.48Å; L14-F17 PolarHBondContact O-N 2.9Å; V15-F17 PolarHBondContact O-N 3.34Å; V15-F17 VanDerWaalsContact O-N 3.15Å; F17-Q19 PolarHBondContact O-N 3.28Å; F17-C20 VanDerWaalsContact O-CB 3.24Å; F17-C20 WeakPolarHBondContact O-CB 3.27Å; F17-C20 PolarHBondContact O-N 2.85Å; F17-L39 HydrophobicContact CE2-CD1 3.79Å; F17-L39 HydrophobicContact CE2-CG 4.23Å; F17-L39 HydrophobicContact CZ-CD1 3.58Å; F17-L39 HydrophobicContact CZ-CG 4.44Å; F17-L115 HydrophobicContact CE1-CD1 3.81Å; F17-L115 HydrophobicContact CE1-CD2 4.23Å; F17-L115 HydrophobicContact CZ-CD1 3.78Å; F17-F193 HydrophobicContact CB-CB 3.99Å; F17-I194 HydrophobicContact CB-CG1 4.17Å; F17-I194 HydrophobicContact CD1-CG1 4.15Å; F17-I194 HydrophobicContact CD2-CD1 4.06Å; F17-I194 HydrophobicContact CD2-CG1 3.57Å; F17-I194 HydrophobicContact CE1-CG1 4.46Å; F17-I194 HydrophobicContact CE2-CD1 4.06Å; F17-I194 HydrophobicContact CE2-CG1 3.93Å; F17-I194 HydrophobicContact CG-CG1 3.69Å; F17-I194 HydrophobicContact CZ-CG1 4.36Å; F17-V197 HydrophobicContact CB-CG2 4.42Å; F17-V197 HydrophobicContact CD1-CB 4.48Å; F17-V197 HydrophobicContact CD1-CG1 4.44Å; F17-V197 HydrophobicContact CD1-CG2 4.35Å; F17-V197 WeakPolarHBondContact O-CG2 3.44Å
18K94.9Very high91.4Very high138 Ų13858.7 Ų58.760%0.629%0.286SS*.G310 helixtrans-58.6-34.7171.5-174.1-178.9176.3-178.10112V15 S16 C20 F193V15-K18 WeakPolarHBondContact O-CB 3.37Å; V15-K18 PolarHBondContact O-N 3.25Å; S16-K18 PolarHBondContact O-N 2.9Å; S16-K18 VanDerWaalsContact O-N 3.14Å; K18-C20 PolarHBondContact O-N 2.86Å; K18-F193 HydrophobicContact CB-CD1 3.8Å; K18-F193 HydrophobicContact CB-CE1 4.06Å; K18-F193 HydrophobicContact CB-CG 4.12Å; K18-F193 HydrophobicContact CD-CE1 3.93Å; K18-F193 HydrophobicContact CD-CZ 4.25Å; K18-F193 HydrophobicContact CG-CD1 4.05Å; K18-F193 HydrophobicContact CG-CE1 3.95Å
19Q96.4Very high92.8Very high133 Ų13356.8 Ų56.862%0.62128%0.278SS*.G310 helixtrans-76.3-10.5-179.9-58.8178.4-0.900112.6S16 F17 L21 P31S16-Q19 WeakPolarHBondContact O-CB 3.28Å; S16-Q19 PolarHBondContact O-N 2.93Å; F17-Q19 PolarHBondContact O-N 3.28Å; Q19-L21 PolarHBondContact O-N 3.4Å; Q19-P31 HydrophobicContact CB-CB 3.92Å; Q19-P31 HydrophobicContact CB-CG 4.41Å; Q19-P31 WeakPolarHBondContact O-CB 3.49Å; Q19-P31 VanDerWaalsContact O-CG 3.32Å; Q19-P31 WeakPolarHBondContact O-CG 3.43Å
20C97.9Very high93.6Very high0 Ų057.8 Ų57.80%028%0.283CS..G310 helixtrans-72.8-15.8177.5-62.10000112.6F17 K18 E26 V27 L28 P31 Y32 V197F17-C20 VanDerWaalsContact O-CB 3.24Å; F17-C20 WeakPolarHBondContact O-CB 3.27Å; F17-C20 PolarHBondContact O-N 2.85Å; K18-C20 PolarHBondContact O-N 2.86Å; C20-E26 VanDerWaalsContact O-O 3.13Å; C20-V27 CarbonylContact O-C 3.57Å; C20-V27 WeakPolarHBondContact O-CA 3.34Å; C20-L28 PolarHBondContact O-N 2.92Å; C20-P31 VanDerWaalsContact SG-C 3.56Å; C20-Y32 WeakPolarHBondContact SG-CA 3.42Å; C20-Y32 PolarHBondContact SG-N 3.36Å; C20-V197 HydrophobicContact CB-CG1 4.3Å; C20-V197 HydrophobicContact CB-CG2 3.64Å
21L97.5Very high94.3Very high29 Ų2958.9 Ų58.915%0.15229%0.29CS..BIsolated β-bridgetrans-114.3129.4179.6-66.3171.1000110.3Q19 E26 V27 R196 V197 V200Q19-L21 PolarHBondContact O-N 3.4Å; L21-E26 WeakPolarHBondContact CA-O 3.09Å; L21-V27 HydrophobicContact CD2-CG2 3.75Å; L21-R196 HydrophobicContact CD1-CB 3.99Å; L21-R196 HydrophobicContact CD1-CG 3.5Å; L21-V197 HydrophobicContact CD1-CG2 4.08Å; L21-V197 HydrophobicContact CG-CG2 4Å; L21-V200 HydrophobicContact CD1-CG2 4.47Å; L21-V200 HydrophobicContact CD2-CB 4.21Å; L21-V200 HydrophobicContact CD2-CG1 4.17Å; L21-V200 HydrophobicContact CD2-CG2 4.08Å
22D95Very high94.8Very high43 Ų4355.2 Ų55.223%0.2327%0.274CS..  trans-89.4-176.8169.778.2-0.5000112K24 E25 E26 L28D22-K24 PolarHBondContact O-N 3.21Å; D22-K24 WeakPolarHBondContact OD1-CA 3.5Å; D22-K24 WeakPolarHBondContact OD1-CB 3.29Å; D22-K24 PolarHBondContact OD1-N 3.07Å; D22-E25 PolarHBondContact O-N 3.06Å; D22-E25 VanDerWaalsContact O-N 3.08Å; D22-E25 PolarHBondContact OD1-N 3.1Å; D22-E25 VanDerWaalsContact OD1-N 3.16Å; D22-E26 PolarHBondContact N-O 3.01Å; D22-E26 WeakPolarHBondContact OD1-CB 3.32Å; D22-E26 PolarHBondContact OD1-N 3.3Å; D22-L28 HydrophobicContact CB-CD1 4.27Å; D22-L28 HydrophobicContact CB-CD2 4.46Å; D22-L28 HydrophobicContact CB-CG 4.42Å
23E93.7Very high95.2Very high201 Ų20150.9 Ų50.994%0.93925%0.248SC*.THydrogen-bonded Turntrans-63.1-20.2179.4-63.1-180175.200113.6
24K94.4Very high95.6Very high162 Ų16253 Ų5370%0.70427%0.266SS*.THydrogen-bonded Turntrans-955.7178.3-58.6-178.7-177.9179.20112.6D22 E26D22-K24 PolarHBondContact O-N 3.21Å; D22-K24 WeakPolarHBondContact OD1-CA 3.5Å; D22-K24 WeakPolarHBondContact OD1-CB 3.29Å; D22-K24 PolarHBondContact OD1-N 3.07Å; K24-E26 HydrophobicContact CB-CG 4.38Å; K24-E26 PolarHBondContact O-N 3.44Å
25E94.3Very high96Very high87 Ų8753 Ų5341%0.40727%0.266SS..  trans58.531.5-171.1-51.1-162.2120.900113.1D22 Q80 R196 V200D22-E25 PolarHBondContact O-N 3.06Å; D22-E25 VanDerWaalsContact O-N 3.08Å; D22-E25 PolarHBondContact OD1-N 3.1Å; D22-E25 VanDerWaalsContact OD1-N 3.16Å; E25-Q80 PolarHBondContact O-NE2 3.39Å; E25-Q80 VanDerWaalsContact O-NE2 3.08Å; E25-R196 IonicContact OE1-CZ 2.66Å; E25-R196 IonicContact OE1-NE 2.67Å; E25-R196 PolarHBondContact OE1-NE 3.37Å; E25-R196 IonicContact OE1-NH2 2.73Å; E25-R196 PolarHBondContact OE1-NH2 2.93Å; E25-V200 VanDerWaalsContact O-CG1 3.28Å; E25-V200 WeakPolarHBondContact O-CG1 3.25Å
26E96.9Very high96.4Very high35 Ų3550.8 Ų50.816%0.16425%0.252CS..  trans-76136.2166.9-70.2-171.8-164.900111.1C20 L21 D22 K24 L28 R77 S78 Q80C20-E26 VanDerWaalsContact O-O 3.13Å; L21-E26 WeakPolarHBondContact CA-O 3.09Å; D22-E26 PolarHBondContact N-O 3.01Å; D22-E26 WeakPolarHBondContact OD1-CB 3.32Å; D22-E26 PolarHBondContact OD1-N 3.3Å; K24-E26 HydrophobicContact CB-CG 4.38Å; K24-E26 PolarHBondContact O-N 3.44Å; E26-L28 PolarHBondContact O-N 2.91Å; E26-R77 IonicContact OE1-NH2 3.49Å; E26-R77 IonicContact OE2-CZ 3.97Å; E26-R77 IonicContact OE2-NH2 2.84Å; E26-R77 PolarHBondContact OE2-NH2 3.49Å; E26-S78 WeakPolarHBondContact OE2-CB 3.35Å; E26-S78 PolarHBondContact OE2-OG 2.75Å; E26-Q80 HydrophobicContact CG-CG 4.37Å
27V98.5Very high96.5Very high0 Ų053.7 Ų53.70%026%0.262CS..BIsolated β-bridgetrans-85.797.8175.7-176.50000108.5C20 L21 Y32 S78 L79 V197 V200C20-V27 CarbonylContact O-C 3.57Å; C20-V27 WeakPolarHBondContact O-CA 3.34Å; L21-V27 HydrophobicContact CD2-CG2 3.75Å; V27-Y32 HydrophobicContact CG1-CD2 4.14Å; V27-S78 CarbonylContact O-C 3.43Å; V27-S78 WeakPolarHBondContact O-CA 3.2Å; V27-S78 WeakPolarHBondContact O-CB 3.27Å; V27-L79 HydrophobicContact CB-CB 4.12Å; V27-L79 HydrophobicContact CB-CD1 3.77Å; V27-L79 HydrophobicContact CB-CG 3.73Å; V27-L79 HydrophobicContact CG1-CD1 3.59Å; V27-L79 HydrophobicContact CG1-CG 3.76Å; V27-L79 HydrophobicContact CG2-CD1 4.32Å; V27-L79 PolarHBondContact O-N 3.38Å; V27-V197 HydrophobicContact CG1-CG1 4.16Å; V27-V200 HydrophobicContact CG2-CB 4.09Å; V27-V200 HydrophobicContact CG2-CG1 3.58Å
28L98.6Very high96.4Very high39 Ų3953.7 Ų53.720%0.20426%0.262CS..BIsolated β-bridgetrans-67.8129.2-178.9-58.6-176000111C20 D22 E26 P31 Y32C20-L28 PolarHBondContact O-N 2.92Å; D22-L28 HydrophobicContact CB-CD1 4.27Å; D22-L28 HydrophobicContact CB-CD2 4.46Å; D22-L28 HydrophobicContact CB-CG 4.42Å; E26-L28 PolarHBondContact O-N 2.91Å; L28-P31 HydrophobicContact CB-CG 3.88Å; L28-P31 HydrophobicContact CD1-CG 4.35Å; L28-P31 WeakPolarHBondContact O-CD 3.33Å; L28-Y32 VanDerWaalsContact O-CB 3.25Å; L28-Y32 WeakPolarHBondContact O-CB 3.34Å; L28-Y32 PolarHBondContact O-N 3.33Å
29L98.3Very high96.2Very high1 Ų147.3 Ų47.31%0.00523%0.234CC..Hα-helixtrans-75.7-38.4-172.3-172.262.7000112.8Y32 I33 M64 R68 Y76 R77 L79L29-Y32 HydrophobicContact CD1-CD1 4.35Å; L29-Y32 WeakPolarHBondContact O-CB 2.83Å; L29-Y32 PolarHBondContact O-N 3.25Å; L29-I33 HydrophobicContact CD1-CD1 4.18Å; L29-I33 HydrophobicContact CD1-CG1 4.12Å; L29-I33 HydrophobicContact CD2-CD1 4.25Å; L29-I33 HydrophobicContact CG-CD1 3.78Å; L29-I33 HydrophobicContact CG-CG1 4.18Å; L29-I33 WeakPolarHBondContact O-CG1 3.4Å; L29-I33 PolarHBondContact O-N 3.42Å; L29-M64 HydrophobicContact CD1-CE 3.95Å; L29-M64 HydrophobicContact CD2-CE 3.71Å; L29-R68 HydrophobicContact CD2-CB 4.15Å; L29-R68 HydrophobicContact CD2-CG 4.48Å; L29-Y76 WeakPolarHBondContact CB-O 3.43Å; L29-Y76 WeakPolarHBondContact CD2-O 3.32Å; L29-R77 PolarHBondContact N-O 3.43Å; L29-L79 HydrophobicContact CD1-CD2 4.08Å
30D98.1Very high96Very high80 Ų8041.5 Ų41.543%0.42821%0.208SC..Hα-helixtrans-61.8-49.5-179-56.7-38.6000111.5Y32 I33 A34 R68D30-Y32 VanDerWaalsContact C-N 3.32Å; D30-Y32 PolarHBondContact O-N 3.11Å; D30-I33 PolarHBondContact O-N 2.64Å; D30-A34 WeakPolarHBondContact O-CB 3.48Å; D30-A34 PolarHBondContact O-N 3.1Å; D30-R68 WeakPolarHBondContact OD1-CG 3.37Å; D30-R68 IonicContact OD1-CZ 3.6Å; D30-R68 IonicContact OD1-NE 2.65Å; D30-R68 PolarHBondContact OD1-NE 3.47Å; D30-R68 IonicContact OD2-CZ 3.65Å; D30-R68 IonicContact OD2-NE 3.4Å; D30-R68 PolarHBondContact OD2-NE 3.47Å; D30-R68 IonicContact OD2-NH2 3.37Å; D30-R68 PolarHBondContact OD2-NH2 3.28Å
31P97.9Very high95.6Very high24 Ų2449 Ų4916%0.15624%0.236CC..Hα-helixtrans-65.4-33.4174.1-20.534.7000113.1Q19 C20 L28 A34 S35Q19-P31 HydrophobicContact CB-CB 3.92Å; Q19-P31 HydrophobicContact CB-CG 4.41Å; Q19-P31 WeakPolarHBondContact O-CB 3.49Å; Q19-P31 VanDerWaalsContact O-CG 3.32Å; Q19-P31 WeakPolarHBondContact O-CG 3.43Å; C20-P31 VanDerWaalsContact SG-C 3.56Å; L28-P31 HydrophobicContact CB-CG 3.88Å; L28-P31 HydrophobicContact CD1-CG 4.35Å; L28-P31 WeakPolarHBondContact O-CD 3.33Å; P31-A34 PolarHBondContact O-N 2.95Å; P31-S35 WeakPolarHBondContact O-CB 3.48Å; P31-S35 PolarHBondContact O-N 2.8Å; P31-S35 PolarHBondContact O-OG 3.16Å
32Y98.1Very high95Very high1 Ų147.8 Ų47.80%0.00423%0.23CC..Hα-helixtrans-63.7-47.1176.7-174.3-96.2000111.8C20 V27 L28 L29 D30 S35 W36 L111 L115 V197C20-Y32 WeakPolarHBondContact SG-CA 3.42Å; C20-Y32 PolarHBondContact SG-N 3.36Å; V27-Y32 HydrophobicContact CG1-CD2 4.14Å; L28-Y32 VanDerWaalsContact O-CB 3.25Å; L28-Y32 WeakPolarHBondContact O-CB 3.34Å; L28-Y32 PolarHBondContact O-N 3.33Å; L29-Y32 HydrophobicContact CD1-CD1 4.35Å; L29-Y32 WeakPolarHBondContact O-CB 2.83Å; L29-Y32 PolarHBondContact O-N 3.25Å; D30-Y32 VanDerWaalsContact C-N 3.32Å; D30-Y32 PolarHBondContact O-N 3.11Å; Y32-S35 PolarHBondContact O-N 3.31Å; Y32-W36 AromaticContact CD1-CD1 3.7Å; Y32-W36 AromaticContact CE1-CD1 3.36Å; Y32-W36 AromaticContact CE1-NE1 3.33Å; Y32-W36 VanDerWaalsContact CE1-NE1 3.33Å; Y32-W36 AromaticContact CE2-NE1 3.73Å; Y32-W36 AromaticContact CZ-CD1 3.59Å; Y32-W36 AromaticContact CZ-NE1 3.1Å; Y32-W36 PolarHBondContact O-N 2.9Å; Y32-W36 PolarHBondContact OH-NE1 2.93Å; Y32-L111 HydrophobicContact CE1-CB 4.33Å; Y32-L111 HydrophobicContact CE1-CD1 4.21Å; Y32-L115 HydrophobicContact CE2-CD2 4.28Å; Y32-V197 HydrophobicContact CD2-CG1 3.98Å; Y32-V197 HydrophobicContact CE2-CG1 3.97Å
33I97.9Very high94.4Very high9 Ų946.9 Ų46.95%0.04623%0.225CC..Hα-helixtrans-61.5-44.7174.3-67.9169.7000110.3L29 D30 S35 W36 K37 L61 M64 E65L29-I33 HydrophobicContact CD1-CD1 4.18Å; L29-I33 HydrophobicContact CD1-CG1 4.12Å; L29-I33 HydrophobicContact CD2-CD1 4.25Å; L29-I33 HydrophobicContact CG-CD1 3.78Å; L29-I33 HydrophobicContact CG-CG1 4.18Å; L29-I33 WeakPolarHBondContact O-CG1 3.4Å; L29-I33 PolarHBondContact O-N 3.42Å; D30-I33 PolarHBondContact O-N 2.64Å; I33-S35 VanDerWaalsContact C-N 3.35Å; I33-S35 PolarHBondContact O-N 3.33Å; I33-W36 PolarHBondContact O-N 3.35Å; I33-K37 HydrophobicContact CG2-CD 4.35Å; I33-K37 HydrophobicContact CG2-CG 4.48Å; I33-K37 WeakPolarHBondContact O-CG 3.37Å; I33-K37 PolarHBondContact O-N 2.97Å; I33-L61 HydrophobicContact CG2-CD2 4.49Å; I33-M64 HydrophobicContact CD1-CB 3.77Å; I33-M64 HydrophobicContact CG1-CB 4.18Å; I33-E65 HydrophobicContact CD1-CG 4.16Å; I33-E65 HydrophobicContact CG2-CG 3.92Å
34A96.8Very high94Very high53 Ų5340.1 Ų40.144%0.43820%0.195SC..Hα-helixtrans-61.3-43179.800000112.1D30 P31 K37 G38D30-A34 WeakPolarHBondContact O-CB 3.48Å; D30-A34 PolarHBondContact O-N 3.1Å; P31-A34 PolarHBondContact O-N 2.95Å; A34-K37 PolarHBondContact O-N 3.21Å; A34-G38 PolarHBondContact O-N 3.09Å
35S95.9Very high93.4Very high0 Ų035.8 Ų35.80%019%0.185CC..Hα-helixtrans-62.1-46.3176.9-560000111S16 P31 Y32 I33 K37 G38 L39S16-S35 PolarHBondContact OG-OG 2.84Å; S16-S35 VanDerWaalsContact OG-OG 3.05Å; P31-S35 WeakPolarHBondContact O-CB 3.48Å; P31-S35 PolarHBondContact O-N 2.8Å; P31-S35 PolarHBondContact O-OG 3.16Å; Y32-S35 PolarHBondContact O-N 3.31Å; I33-S35 VanDerWaalsContact C-N 3.35Å; I33-S35 PolarHBondContact O-N 3.33Å; S35-K37 PolarHBondContact O-N 2.7Å; S35-G38 WeakPolarHBondContact O-CA 3.49Å; S35-G38 PolarHBondContact O-N 3.39Å; S35-G38 VanDerWaalsContact O-N 3.13Å; S35-L39 PolarHBondContact O-N 3.34Å
36W96.1Very high92.6Very high9 Ų933 Ų333%0.03417%0.173CC..Hα-helixtrans-61.7-40.4175-91.7107.7000113.7Y32 I33 G38 L39 V40 V57 L61 L111 A114 L115Y32-W36 AromaticContact CD1-CD1 3.7Å; Y32-W36 AromaticContact CE1-CD1 3.36Å; Y32-W36 AromaticContact CE1-NE1 3.33Å; Y32-W36 VanDerWaalsContact CE1-NE1 3.33Å; Y32-W36 AromaticContact CE2-NE1 3.73Å; Y32-W36 AromaticContact CZ-CD1 3.59Å; Y32-W36 AromaticContact CZ-NE1 3.1Å; Y32-W36 PolarHBondContact O-N 2.9Å; Y32-W36 PolarHBondContact OH-NE1 2.93Å; I33-W36 PolarHBondContact O-N 3.35Å; W36-G38 VanDerWaalsContact C-N 3.28Å; W36-G38 PolarHBondContact O-N 3.06Å; W36-L39 HydrophobicContact CD2-CD1 4.31Å; W36-L39 HydrophobicContact CE3-CB 4.42Å; W36-L39 HydrophobicContact CE3-CD1 4.01Å; W36-L39 HydrophobicContact CZ3-CD1 4.23Å; W36-L39 WeakPolarHBondContact O-CB 3.37Å; W36-L39 PolarHBondContact O-N 3.49Å; W36-L39 VanDerWaalsContact O-N 3.13Å; W36-V40 WeakPolarHBondContact O-CG2 3.42Å; W36-V40 PolarHBondContact O-N 2.87Å; W36-V57 HydrophobicContact CD2-CG1 4.38Å; W36-V57 HydrophobicContact CE3-CG1 3.57Å; W36-V57 HydrophobicContact CZ3-CG1 3.89Å; W36-V57 HydrophobicContact CZ3-CG2 4.33Å; W36-L61 HydrophobicContact CB-CD1 3.87Å; W36-L61 HydrophobicContact CB-CD2 3.49Å; W36-L61 VanDerWaalsContact CB-CD2 3.49Å; W36-L61 HydrophobicContact CB-CG 4.28Å; W36-L61 HydrophobicContact CG-CD2 3.99Å; W36-L111 HydrophobicContact CD2-CD2 4.36Å; W36-L111 HydrophobicContact CZ2-CB 4.17Å; W36-L111 WeakPolarHBondContact CZ2-O 3.33Å; W36-A114 HydrophobicContact CH2-CB 3.76Å; W36-A114 HydrophobicContact CZ2-CB 4.46Å; W36-L115 HydrophobicContact CH2-CB 4.46Å; W36-L115 HydrophobicContact CH2-CD1 4.46Å; W36-L115 HydrophobicContact CZ2-CB 3.81Å; W36-L115 HydrophobicContact CZ2-CD1 3.89Å; W36-L115 HydrophobicContact CZ2-CG 4.39Å
37K94.7Very high91.5Very high83 Ų8332.8 Ų32.836%0.36118%0.18SC..Hα-helixtrans-61.1-39.3173.1-75.8-178.8173.7-173.20111.7I33 A34 S35 L39 V40 R41 L61 E65I33-K37 HydrophobicContact CG2-CD 4.35Å; I33-K37 HydrophobicContact CG2-CG 4.48Å; I33-K37 WeakPolarHBondContact O-CG 3.37Å; I33-K37 PolarHBondContact O-N 2.97Å; A34-K37 PolarHBondContact O-N 3.21Å; S35-K37 PolarHBondContact O-N 2.7Å; K37-L39 VanDerWaalsContact C-N 3.34Å; K37-V40 PolarHBondContact O-N 3.48Å; K37-R41 WeakPolarHBondContact O-CG 3.31Å; K37-R41 PolarHBondContact O-N 2.9Å; K37-L61 HydrophobicContact CG-CD1 4.08Å; K37-E65 WeakPolarHBondContact CE-OE1 3.44Å; K37-E65 IonicContact NZ-OE1 2.55Å; K37-E65 PolarHBondContact NZ-OE1 3.4Å; K37-E65 IonicContact NZ-OE2 3Å
38G93Very high90.4Very high1 Ų139 Ų391%0.0122%0.218CC..Hα-helixtrans-55.4-48.9170.300000112F8 A34 S35 W36 V40 R41 F42F8-G38 WeakPolarHBondContact CE2-O 3.49Å; F8-G38 VanDerWaalsContact CZ-O 3.32Å; F8-G38 WeakPolarHBondContact CZ-O 3.32Å; A34-G38 PolarHBondContact O-N 3.09Å; S35-G38 WeakPolarHBondContact O-CA 3.49Å; S35-G38 PolarHBondContact O-N 3.39Å; S35-G38 VanDerWaalsContact O-N 3.13Å; W36-G38 VanDerWaalsContact C-N 3.28Å; W36-G38 PolarHBondContact O-N 3.06Å; G38-V40 PolarHBondContact O-N 3.32Å; G38-R41 PolarHBondContact O-N 2.72Å; G38-F42 PolarHBondContact O-N 2.99Å
39L90.9Very high89.1Confident3 Ų340 Ų402%0.01622%0.223CC..Hα-helixtrans-64-39.4178.2-67.6173.1000112.9L10 V13 L14 F17 S35 W36 K37 R41 F42 L43 L118L10-L39 HydrophobicContact CD1-CD2 4.39Å; V13-L39 HydrophobicContact CG1-CD2 3.74Å; V13-L39 HydrophobicContact CG1-CG 3.82Å; L14-L39 HydrophobicContact CD2-CD2 4.14Å; F17-L39 HydrophobicContact CE2-CD1 3.79Å; F17-L39 HydrophobicContact CE2-CG 4.23Å; F17-L39 HydrophobicContact CZ-CD1 3.58Å; F17-L39 HydrophobicContact CZ-CG 4.44Å; S35-L39 PolarHBondContact O-N 3.34Å; W36-L39 HydrophobicContact CD2-CD1 4.31Å; W36-L39 HydrophobicContact CE3-CB 4.42Å; W36-L39 HydrophobicContact CE3-CD1 4.01Å; W36-L39 HydrophobicContact CZ3-CD1 4.23Å; W36-L39 WeakPolarHBondContact O-CB 3.37Å; W36-L39 PolarHBondContact O-N 3.49Å; W36-L39 VanDerWaalsContact O-N 3.13Å; K37-L39 VanDerWaalsContact C-N 3.34Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.03Å; L39-F42 WeakPolarHBondContact O-CB 3.46Å; L39-F42 PolarHBondContact O-N 2.89Å; L39-L43 WeakPolarHBondContact O-CG 3.16Å; L39-L43 PolarHBondContact O-N 3.43Å; L39-L118 HydrophobicContact CD1-CD2 3.38Å; L39-L118 HydrophobicContact CD2-CD2 3.62Å; L39-L118 HydrophobicContact CG-CD2 4.08Å
40V90.9Very high87.8Confident11 Ų1140.4 Ų40.47%0.06723%0.225CC..Hα-helixtrans-62.2-42.4175169.10000110.9W36 K37 G38 F42 L43 N44 V57 V58 L61W36-V40 WeakPolarHBondContact O-CG2 3.42Å; W36-V40 PolarHBondContact O-N 2.87Å; K37-V40 PolarHBondContact O-N 3.48Å; G38-V40 PolarHBondContact O-N 3.32Å; V40-F42 VanDerWaalsContact C-N 3.33Å; V40-F42 PolarHBondContact O-N 3.39Å; V40-L43 PolarHBondContact O-N 2.96Å; V40-N44 WeakPolarHBondContact O-CB 3.36Å; V40-N44 PolarHBondContact O-N 3.16Å; V40-N44 PolarHBondContact O-ND2 2.84Å; V40-N44 PolarHBondContact O-OD1 2.91Å; V40-V57 HydrophobicContact CG2-CB 4.25Å; V40-V57 HydrophobicContact CG2-CG1 3.66Å; V40-V58 HydrophobicContact CB-CG2 4.5Å; V40-V58 HydrophobicContact CG1-CG2 3.6Å; V40-V58 HydrophobicContact CG2-CG2 4.16Å; V40-L61 HydrophobicContact CG2-CD1 4.2Å
41R89.6Confident86.7Confident158 Ų15838.6 Ų38.660%0.59622%0.218SC*.Hα-helixtrans-61.1-42175.9-71.8-175.9-62-150.72.2111.7F8 K37 G38 L39 N44 S45F8-R41 HydrophobicContact CD2-CB 4.01Å; F8-R41 HydrophobicContact CE2-CB 3.84Å; K37-R41 WeakPolarHBondContact O-CG 3.31Å; K37-R41 PolarHBondContact O-N 2.9Å; G38-R41 PolarHBondContact O-N 2.72Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.03Å; R41-N44 PolarHBondContact O-N 3.29Å; R41-S45 PolarHBondContact O-N 3.46Å
42F86.3Confident85.4Confident3 Ų343.2 Ų43.21%0.01324%0.236CC..Hα-helixtrans-56.8-54.4173.1-179.1-130000111.7F8 L10 G38 L39 V40 N44 S45 L46 F171 M175F8-F42 HydrophobicContact CD1-CB 4.07Å; F8-F42 AromaticContact CD1-CD2 3.57Å; F8-F42 HydrophobicContact CD1-CD2 3.57Å; F8-F42 HydrophobicContact CD1-CG 4.23Å; F8-F42 HydrophobicContact CE1-CB 3.26Å; F8-F42 AromaticContact CE1-CD2 3.26Å; F8-F42 HydrophobicContact CE1-CD2 3.26Å; F8-F42 HydrophobicContact CE1-CE2 4.33Å; F8-F42 AromaticContact CE1-CG 3.54Å; F8-F42 HydrophobicContact CE1-CG 3.54Å; F8-F42 HydrophobicContact CE2-CB 4.02Å; F8-F42 HydrophobicContact CZ-CB 3.26Å; F8-F42 HydrophobicContact CZ-CD2 4.2Å; F8-F42 HydrophobicContact CZ-CG 4.05Å; L10-F42 HydrophobicContact CD1-CB 4.25Å; L10-F42 HydrophobicContact CD1-CD1 3.94Å; L10-F42 HydrophobicContact CD1-CD2 4.29Å; L10-F42 HydrophobicContact CD1-CE1 4.38Å; L10-F42 HydrophobicContact CD1-CG 3.89Å; L10-F42 HydrophobicContact CD2-CD1 4.4Å; L10-F42 HydrophobicContact CD2-CE1 4Å; L10-F42 HydrophobicContact CD2-CE2 4.24Å; L10-F42 HydrophobicContact CD2-CZ 3.92Å; G38-F42 PolarHBondContact O-N 2.99Å; L39-F42 WeakPolarHBondContact O-CB 3.46Å; L39-F42 PolarHBondContact O-N 2.89Å; V40-F42 VanDerWaalsContact C-N 3.33Å; V40-F42 PolarHBondContact O-N 3.39Å; F42-N44 VanDerWaalsContact C-N 3.26Å; F42-N44 PolarHBondContact O-N 3.37Å; F42-S45 PolarHBondContact O-N 2.91Å; F42-S45 PolarHBondContact O-OG 3.11Å; F42-L46 HydrophobicContact CE1-CD1 4.1Å; F42-L46 HydrophobicContact CE2-CD1 4.48Å; F42-L46 HydrophobicContact CE2-CD2 4.29Å; F42-L46 HydrophobicContact CE2-CG 4.48Å; F42-L46 HydrophobicContact CZ-CD1 4.04Å; F42-L46 HydrophobicContact CZ-CD2 4.41Å; F42-L46 PolarHBondContact O-N 3.07Å; F42-F171 AromaticContact CE1-CE1 3.94Å; F42-F171 HydrophobicContact CE1-CE1 3.94Å; F42-F171 AromaticContact CE1-CZ 3.73Å; F42-F171 HydrophobicContact CE1-CZ 3.73Å; F42-F171 HydrophobicContact CZ-CD1 4.49Å; F42-F171 AromaticContact CZ-CE1 3.7Å; F42-F171 HydrophobicContact CZ-CE1 3.7Å; F42-F171 AromaticContact CZ-CZ 3.78Å; F42-F171 HydrophobicContact CZ-CZ 3.78Å; F42-M175 HydrophobicContact CZ-CG 4.38Å
43L81.8Confident84.2Confident24 Ų2445.2 Ų45.213%0.12625%0.246CC..Hα-helixtrans-60.1-43.5-175.6-70.6174.2000110L39 V40 S45 L46 F50L39-L43 WeakPolarHBondContact O-CG 3.16Å; L39-L43 PolarHBondContact O-N 3.43Å; V40-L43 PolarHBondContact O-N 2.96Å; L43-S45 VanDerWaalsContact C-N 3.28Å; L43-S45 PolarHBondContact O-N 3.48Å; L43-L46 WeakPolarHBondContact O-CB 3.15Å; L43-L46 PolarHBondContact O-N 3.49Å; L43-L46 VanDerWaalsContact O-N 3.09Å; L43-F50 HydrophobicContact CB-CB 4.31Å; L43-F50 WeakPolarHBondContact O-CB 3.47Å; L43-F50 WeakPolarHBondContact O-CG 3.4Å
44N84.1Confident83.6Confident60 Ų6045 Ų4532%0.32125%0.245SC..Hα-helixtrans-65.5-28.7178.6-65.9-7.4000113V40 R41 F42 L46 G47 S51 S54V40-N44 WeakPolarHBondContact O-CB 3.36Å; V40-N44 PolarHBondContact O-N 3.16Å; V40-N44 PolarHBondContact O-ND2 2.84Å; V40-N44 PolarHBondContact O-OD1 2.91Å; R41-N44 PolarHBondContact O-N 3.29Å; F42-N44 VanDerWaalsContact C-N 3.26Å; F42-N44 PolarHBondContact O-N 3.37Å; N44-L46 PolarHBondContact O-N 2.74Å; N44-G47 PolarHBondContact O-N 3.44Å; N44-S51 WeakPolarHBondContact OD1-CA 3.32Å; N44-S54 PolarHBondContact OD1-OG 2.97Å
45S83.3Confident83.1Confident71 Ų7149 Ų4950%0.49725%0.253SS..Hα-helixtrans-71.7-15.2175.676.50000113.2R41 F42 L43 G47R41-S45 PolarHBondContact O-N 3.46Å; F42-S45 PolarHBondContact O-N 2.91Å; F42-S45 PolarHBondContact O-OG 3.11Å; L43-S45 VanDerWaalsContact C-N 3.28Å; L43-S45 PolarHBondContact O-N 3.48Å; S45-G47 VanDerWaalsContact C-N 3.29Å
46L76.4Confident82.8Confident29 Ų2953.4 Ų53.415%0.15228%0.277CS..THydrogen-bonded Turntrans-82.5-4.8174.3-58.7174.2000113.2F42 L43 N44 F50 F171 A174F42-L46 HydrophobicContact CE1-CD1 4.1Å; F42-L46 HydrophobicContact CE2-CD1 4.48Å; F42-L46 HydrophobicContact CE2-CD2 4.29Å; F42-L46 HydrophobicContact CE2-CG 4.48Å; F42-L46 HydrophobicContact CZ-CD1 4.04Å; F42-L46 HydrophobicContact CZ-CD2 4.41Å; F42-L46 PolarHBondContact O-N 3.07Å; L43-L46 WeakPolarHBondContact O-CB 3.15Å; L43-L46 PolarHBondContact O-N 3.49Å; L43-L46 VanDerWaalsContact O-N 3.09Å; N44-L46 PolarHBondContact O-N 2.74Å; L46-F50 HydrophobicContact CB-CD2 3.51Å; L46-F50 HydrophobicContact CB-CE2 3.75Å; L46-F50 HydrophobicContact CB-CG 4.11Å; L46-F171 HydrophobicContact CD1-CD2 4.1Å; L46-F171 HydrophobicContact CD1-CE2 3.34Å; L46-F171 HydrophobicContact CD1-CZ 3.73Å; L46-A174 HydrophobicContact CD2-CB 3.79Å
47G75.3Confident82.7Confident30 Ų3053.8 Ų53.831%0.30928%0.28SS..  trans124.8173.2171.800000115.2N44 S45 I49 F50 S51N44-G47 PolarHBondContact O-N 3.44Å; S45-G47 VanDerWaalsContact C-N 3.29Å; G47-I49 VanDerWaalsContact C-N 3.29Å; G47-I49 PolarHBondContact O-N 2.9Å; G47-F50 WeakPolarHBondContact O-CB 3.37Å; G47-F50 PolarHBondContact O-N 3.3Å; G47-S51 PolarHBondContact O-N 3.44Å
48T75Confident82.7Confident129 Ų12952.1 Ų52.179%0.79128%0.277SS*.Hα-helixtrans-62.8-29-169.853.10000114.5F50 S51 F52T48-F50 VanDerWaalsContact C-N 3.28Å; T48-F50 PolarHBondContact O-N 2.72Å; T48-S51 WeakPolarHBondContact O-CB 3.19Å; T48-S51 PolarHBondContact O-N 3Å; T48-F52 PolarHBondContact O-N 3.41Å
49I70.4Confident82.9Confident60 Ų6054.6 Ų54.631%0.30829%0.294SS..Hα-helixtrans-63.5-35.6175.6-167.365000111.6G47 F52 I53 A161 A164G47-I49 VanDerWaalsContact C-N 3.29Å; G47-I49 PolarHBondContact O-N 2.9Å; I49-F52 WeakPolarHBondContact O-CB 3.38Å; I49-F52 PolarHBondContact O-N 3.21Å; I49-I53 PolarHBondContact O-N 2.96Å; I49-A161 HydrophobicContact CD1-CB 4.17Å; I49-A161 HydrophobicContact CG1-CB 3.95Å; I49-A164 HydrophobicContact CB-CB 4.3Å; I49-A164 HydrophobicContact CG1-CB 4.12Å; I49-A164 HydrophobicContact CG2-CB 3.83Å
50F70.4Confident83.2Confident10 Ų1055.6 Ų55.64%0.04430%0.298CS..Hα-helixtrans-75-29.1178.7-64.6-76.5000112.2L43 L46 G47 T48 F52 I53 S54 L165L43-F50 HydrophobicContact CB-CB 4.31Å; L43-F50 WeakPolarHBondContact O-CB 3.47Å; L43-F50 WeakPolarHBondContact O-CG 3.4Å; L46-F50 HydrophobicContact CB-CD2 3.51Å; L46-F50 HydrophobicContact CB-CE2 3.75Å; L46-F50 HydrophobicContact CB-CG 4.11Å; G47-F50 WeakPolarHBondContact O-CB 3.37Å; G47-F50 PolarHBondContact O-N 3.3Å; T48-F50 VanDerWaalsContact C-N 3.28Å; T48-F50 PolarHBondContact O-N 2.72Å; F50-F52 PolarHBondContact O-N 3.45Å; F50-I53 HydrophobicContact CD1-CD1 4.19Å; F50-I53 HydrophobicContact CE1-CD1 4.49Å; F50-I53 PolarHBondContact O-N 3.1Å; F50-I53 VanDerWaalsContact O-N 3.12Å; F50-S54 WeakPolarHBondContact O-CB 3.46Å; F50-S54 PolarHBondContact O-N 3.11Å; F50-S54 PolarHBondContact O-OG 3.2Å; F50-L165 HydrophobicContact CE1-CD2 3.43Å; F50-L165 VanDerWaalsContact CE1-CD2 3.43Å; F50-L165 HydrophobicContact CE1-CG 3.97Å; F50-L165 HydrophobicContact CE2-CD2 4.34Å; F50-L165 HydrophobicContact CZ-CB 4.42Å; F50-L165 HydrophobicContact CZ-CD2 3.2Å; F50-L165 HydrophobicContact CZ-CG 3.6Å
51S74.8Confident83.6Confident42 Ų4255.3 Ų55.329%0.29430%0.296SS..Hα-helixtrans-61.7-28.7170.1-54.80000112.4N44 G47 T48 S54 K55N44-S51 WeakPolarHBondContact OD1-CA 3.32Å; G47-S51 PolarHBondContact O-N 3.44Å; T48-S51 WeakPolarHBondContact O-CB 3.19Å; T48-S51 PolarHBondContact O-N 3Å; S51-S54 WeakPolarHBondContact CA-OG 3.47Å; S51-S54 PolarHBondContact O-OG 3.43Å; S51-K55 WeakPolarHBondContact O-CG 3.37Å; S51-K55 PolarHBondContact O-N 3.3Å
52F72Confident84Confident122 Ų12252.9 Ų52.954%0.53529%0.292SS..Hα-helixtrans-70.7-43.3172.1177-96.9000111.6T48 I49 F50 T157T48-F52 PolarHBondContact O-N 3.41Å; I49-F52 WeakPolarHBondContact O-CB 3.38Å; I49-F52 PolarHBondContact O-N 3.21Å; F50-F52 PolarHBondContact O-N 3.45Å; F52-T157 HydrophobicContact CE1-CG2 4.28Å
53I72.1Confident84.6Confident42 Ų4253.4 Ų53.422%0.21529%0.294CS..Hα-helixtrans-66.5-39.3179.7-58.6172000110.7I49 F50 K55 A161I49-I53 PolarHBondContact O-N 2.96Å; F50-I53 HydrophobicContact CD1-CD1 4.19Å; F50-I53 HydrophobicContact CE1-CD1 4.49Å; F50-I53 PolarHBondContact O-N 3.1Å; F50-I53 VanDerWaalsContact O-N 3.12Å; I53-K55 VanDerWaalsContact C-N 3.34Å; I53-K55 PolarHBondContact O-N 3.16Å; I53-A161 HydrophobicContact CD1-CB 3.92Å; I53-A161 HydrophobicContact CG1-CB 4.46Å
54S84.9Confident85.4Confident4 Ų452.3 Ų52.33%0.02829%0.289CS..Hα-helixtrans-76.3-16.3-176.1720000114N44 F50 S51 D56 V57 V58N44-S54 PolarHBondContact OD1-OG 2.97Å; F50-S54 WeakPolarHBondContact O-CB 3.46Å; F50-S54 PolarHBondContact O-N 3.11Å; F50-S54 PolarHBondContact O-OG 3.2Å; S51-S54 WeakPolarHBondContact CA-OG 3.47Å; S51-S54 PolarHBondContact O-OG 3.43Å; S54-D56 VanDerWaalsContact C-N 3.27Å; S54-D56 PolarHBondContact O-N 3.35Å; S54-V57 WeakPolarHBondContact O-CB 3.32Å; S54-V57 PolarHBondContact O-N 2.93Å; S54-V58 WeakPolarHBondContact O-CG2 3.36Å; S54-V58 PolarHBondContact O-N 3.16Å
55K87.1Confident86Confident138 Ų13852.9 Ų52.960%0.629%0.289SS*.Hα-helixtrans-53.3-42.8177.5-86170-174.3-174.10113.1S51 I53 V57 V58 S59S51-K55 WeakPolarHBondContact O-CG 3.37Å; S51-K55 PolarHBondContact O-N 3.3Å; I53-K55 VanDerWaalsContact C-N 3.34Å; I53-K55 PolarHBondContact O-N 3.16Å; K55-V57 VanDerWaalsContact C-N 3.31Å; K55-V57 PolarHBondContact O-N 3.05Å; K55-V58 PolarHBondContact O-N 3.43Å; K55-S59 PolarHBondContact O-N 3.12Å
56D89.3Confident86.8Confident92 Ų9257.5 Ų57.549%0.49230%0.296SS..Hα-helixtrans-65.7-36.7-179.4-177.770.6000111.9S54 K60S54-D56 VanDerWaalsContact C-N 3.27Å; S54-D56 PolarHBondContact O-N 3.35Å; D56-K60 WeakPolarHBondContact O-CG 3.25Å; D56-K60 PolarHBondContact O-N 2.95Å; D56-K60 PolarHBondContact O-NZ 3.17Å; D56-K60 IonicContact OD1-NZ 2.84Å; D56-K60 PolarHBondContact OD1-NZ 2.97Å; D56-K60 IonicContact OD2-NZ 3.25Å; D56-K60 PolarHBondContact OD2-NZ 3.5Å
57V94.1Very high87.8Confident18 Ų1858.2 Ų58.211%0.10930%0.299CS..Hα-helixtrans-67.9-48.6173.1176.20000110.3W36 V40 S54 K55 S59 K60 L61 L111W36-V57 HydrophobicContact CD2-CG1 4.38Å; W36-V57 HydrophobicContact CE3-CG1 3.57Å; W36-V57 HydrophobicContact CZ3-CG1 3.89Å; W36-V57 HydrophobicContact CZ3-CG2 4.33Å; V40-V57 HydrophobicContact CG2-CB 4.25Å; V40-V57 HydrophobicContact CG2-CG1 3.66Å; S54-V57 WeakPolarHBondContact O-CB 3.32Å; S54-V57 PolarHBondContact O-N 2.93Å; K55-V57 VanDerWaalsContact C-N 3.31Å; K55-V57 PolarHBondContact O-N 3.05Å; V57-S59 VanDerWaalsContact C-N 3.32Å; V57-S59 PolarHBondContact O-N 3.39Å; V57-K60 WeakPolarHBondContact O-CB 3.41Å; V57-K60 PolarHBondContact O-N 2.72Å; V57-L61 HydrophobicContact CG1-CD1 4.08Å; V57-L61 HydrophobicContact CG1-CG 4.31Å; V57-L61 WeakPolarHBondContact O-CG 3.32Å; V57-L61 PolarHBondContact O-N 3.02Å; V57-L111 HydrophobicContact CB-CD2 4.46Å; V57-L111 HydrophobicContact CG1-CD2 3.82Å
58V95.6Very high88.8Confident48 Ų4859 Ų5929%0.29129%0.293SS..Hα-helixtrans-56.7-45.6179.2171.30000111.5V40 S54 K55 K60 L61 Q62V40-V58 HydrophobicContact CB-CG2 4.5Å; V40-V58 HydrophobicContact CG1-CG2 3.6Å; V40-V58 HydrophobicContact CG2-CG2 4.16Å; S54-V58 WeakPolarHBondContact O-CG2 3.36Å; S54-V58 PolarHBondContact O-N 3.16Å; K55-V58 PolarHBondContact O-N 3.43Å; V58-K60 VanDerWaalsContact C-N 3.28Å; V58-K60 PolarHBondContact O-N 3.05Å; V58-L61 PolarHBondContact O-N 3.49Å; V58-Q62 WeakPolarHBondContact O-CG 3.35Å; V58-Q62 PolarHBondContact O-N 3.1Å
59S96.8Very high89.9Confident53 Ų5356.1 Ų56.137%0.37129%0.289SS..Hα-helixtrans-58.3-40.6177172.20000112K55 V57 Q62 I63K55-S59 PolarHBondContact O-N 3.12Å; V57-S59 VanDerWaalsContact C-N 3.32Å; V57-S59 PolarHBondContact O-N 3.39Å; S59-Q62 PolarHBondContact O-N 3.16Å; S59-I63 WeakPolarHBondContact O-CG1 3.47Å; S59-I63 PolarHBondContact O-N 3.2Å; S59-I63 VanDerWaalsContact O-N 3.15Å
60K97.8Very high91.1Very high24 Ų2454.3 Ų54.310%0.10429%0.285CS..Hα-helixtrans-69.6-39.2177.2-70.1176.1-178.164.80112.5D56 V57 V58 Q62 I63 M64 T107 R110 L111D56-K60 WeakPolarHBondContact O-CG 3.25Å; D56-K60 PolarHBondContact O-N 2.95Å; D56-K60 PolarHBondContact O-NZ 3.17Å; D56-K60 IonicContact OD1-NZ 2.84Å; D56-K60 PolarHBondContact OD1-NZ 2.97Å; D56-K60 IonicContact OD2-NZ 3.25Å; D56-K60 PolarHBondContact OD2-NZ 3.5Å; V57-K60 WeakPolarHBondContact O-CB 3.41Å; V57-K60 PolarHBondContact O-N 2.72Å; V58-K60 VanDerWaalsContact C-N 3.28Å; V58-K60 PolarHBondContact O-N 3.05Å; K60-Q62 VanDerWaalsContact C-N 3.3Å; K60-Q62 PolarHBondContact O-N 3.2Å; K60-I63 WeakPolarHBondContact O-CB 3.42Å; K60-I63 PolarHBondContact O-N 3.13Å; K60-M64 WeakPolarHBondContact O-CG 3.12Å; K60-M64 PolarHBondContact O-N 3.16Å; K60-T107 HydrophobicContact CB-CG2 3.7Å; K60-T107 HydrophobicContact CG-CG2 3.94Å; K60-R110 HydrophobicContact CD-CB 3.6Å; K60-R110 HydrophobicContact CD-CG 4.47Å; K60-L111 HydrophobicContact CB-CD1 4.25Å; K60-L111 HydrophobicContact CB-CD2 3.91Å; K60-L111 HydrophobicContact CB-CG 4.04Å; K60-L111 HydrophobicContact CD-CD2 4.27Å; K60-L111 HydrophobicContact CD-CG 4.32Å
61L98.1Very high92.3Very high5 Ų560.1 Ų60.13%0.02632%0.324CS..Hα-helixtrans-61.3-42.4174.5-62.8174.4000110.9I33 W36 K37 V40 V57 V58 I63 M64 E65 L111I33-L61 HydrophobicContact CG2-CD2 4.49Å; W36-L61 HydrophobicContact CB-CD1 3.87Å; W36-L61 HydrophobicContact CB-CD2 3.49Å; W36-L61 VanDerWaalsContact CB-CD2 3.49Å; W36-L61 HydrophobicContact CB-CG 4.28Å; W36-L61 HydrophobicContact CG-CD2 3.99Å; K37-L61 HydrophobicContact CG-CD1 4.08Å; V40-L61 HydrophobicContact CG2-CD1 4.2Å; V57-L61 HydrophobicContact CG1-CD1 4.08Å; V57-L61 HydrophobicContact CG1-CG 4.31Å; V57-L61 WeakPolarHBondContact O-CG 3.32Å; V57-L61 PolarHBondContact O-N 3.02Å; V58-L61 PolarHBondContact O-N 3.49Å; L61-I63 VanDerWaalsContact C-N 3.31Å; L61-I63 PolarHBondContact O-N 3.28Å; L61-M64 PolarHBondContact O-N 2.94Å; L61-M64 VanDerWaalsContact O-N 3.11Å; L61-E65 VanDerWaalsContact O-CG 3.3Å; L61-E65 WeakPolarHBondContact O-CG 3.43Å; L61-E65 PolarHBondContact O-N 3.46Å; L61-L111 HydrophobicContact CD2-CD1 3.85Å; L61-L111 HydrophobicContact CD2-CD2 4.36Å
62Q98.2Very high93.3Very high107 Ų10762.6 Ų62.650%0.533%0.331SS..Hα-helixtrans-61.6-36.6175.9-71172.7-19.200112.9V58 S59 K60 R66V58-Q62 WeakPolarHBondContact O-CG 3.35Å; V58-Q62 PolarHBondContact O-N 3.1Å; S59-Q62 PolarHBondContact O-N 3.16Å; K60-Q62 VanDerWaalsContact C-N 3.3Å; K60-Q62 PolarHBondContact O-N 3.2Å; Q62-R66 WeakPolarHBondContact O-CB 3.29Å; Q62-R66 PolarHBondContact O-N 3.48Å
63I98.4Very high94.4Very high14 Ų1458.3 Ų58.37%0.07232%0.316CS..Hα-helixtrans-62-49.9172.3-68.1164.8000109.7S59 K60 L61 E65 R66 L67 E102 T107S59-I63 WeakPolarHBondContact O-CG1 3.47Å; S59-I63 PolarHBondContact O-N 3.2Å; S59-I63 VanDerWaalsContact O-N 3.15Å; K60-I63 WeakPolarHBondContact O-CB 3.42Å; K60-I63 PolarHBondContact O-N 3.13Å; L61-I63 VanDerWaalsContact C-N 3.31Å; L61-I63 PolarHBondContact O-N 3.28Å; I63-E65 VanDerWaalsContact C-N 3.34Å; I63-E65 PolarHBondContact O-N 3.2Å; I63-R66 WeakPolarHBondContact O-CB 3.23Å; I63-R66 PolarHBondContact O-N 3.28Å; I63-R66 VanDerWaalsContact O-N 3.17Å; I63-L67 HydrophobicContact CG2-CD1 4Å; I63-L67 WeakPolarHBondContact O-CG 3.41Å; I63-L67 PolarHBondContact O-N 2.9Å; I63-E102 HydrophobicContact CD1-CB 4.22Å; I63-E102 HydrophobicContact CD1-CG 4.17Å; I63-E102 HydrophobicContact CG2-CB 4.43Å; I63-T107 HydrophobicContact CB-CG2 4.05Å; I63-T107 HydrophobicContact CD1-CG2 4.37Å; I63-T107 HydrophobicContact CG2-CG2 3.96Å
64M98.6Very high95.6Very high0 Ų062.7 Ų62.70%034%0.336CS..Hα-helixtrans-63.3-39.2-179.2-62-45.6-56.900112.7L29 I33 K60 L61 R66 L67 R68 Y76 M82 T107 V108 L111L29-M64 HydrophobicContact CD1-CE 3.95Å; L29-M64 HydrophobicContact CD2-CE 3.71Å; I33-M64 HydrophobicContact CD1-CB 3.77Å; I33-M64 HydrophobicContact CG1-CB 4.18Å; K60-M64 WeakPolarHBondContact O-CG 3.12Å; K60-M64 PolarHBondContact O-N 3.16Å; L61-M64 PolarHBondContact O-N 2.94Å; L61-M64 VanDerWaalsContact O-N 3.11Å; M64-R66 VanDerWaalsContact C-N 3.34Å; M64-R66 PolarHBondContact O-N 3Å; M64-L67 HydrophobicContact CE-CD1 4.34Å; M64-L67 PolarHBondContact O-N 3.34Å; M64-L67 HydrophobicContact SD-CD1 4.22Å; M64-R68 VanDerWaalsContact O-CB 3.25Å; M64-R68 WeakPolarHBondContact O-CB 3.3Å; M64-R68 PolarHBondContact O-N 3.35Å; M64-Y76 HydrophobicContact CE-CD1 4.43Å; M64-M82 HydrophobicContact CE-SD 3.67Å; M64-T107 HydrophobicContact CG-CG2 3.97Å; M64-T107 HydrophobicContact SD-CG2 3.62Å; M64-V108 HydrophobicContact CE-CG2 3.52Å; M64-V108 HydrophobicContact CG-CG2 4.16Å; M64-V108 HydrophobicContact SD-CG2 3.63Å; M64-L111 HydrophobicContact CG-CD1 4.42Å
65E98.3Very high96.2Very high72 Ų7266.2 Ų66.234%0.33635%0.351SS..Hα-helixtrans-63.3-39.5174.8-71.9-178.2113.900112.2I33 K37 L61 I63 R68 G69I33-E65 HydrophobicContact CD1-CG 4.16Å; I33-E65 HydrophobicContact CG2-CG 3.92Å; K37-E65 WeakPolarHBondContact CE-OE1 3.44Å; K37-E65 IonicContact NZ-OE1 2.55Å; K37-E65 PolarHBondContact NZ-OE1 3.4Å; K37-E65 IonicContact NZ-OE2 3Å; L61-E65 VanDerWaalsContact O-CG 3.3Å; L61-E65 WeakPolarHBondContact O-CG 3.43Å; L61-E65 PolarHBondContact O-N 3.46Å; I63-E65 VanDerWaalsContact C-N 3.34Å; I63-E65 PolarHBondContact O-N 3.2Å; E65-R68 PolarHBondContact O-N 2.77Å; E65-G69 PolarHBondContact O-N 2.95Å
66R98.4Very high96.7Very high169 Ų16960.1 Ų60.164%0.63833%0.325SS*.Hα-helixtrans-65.4-42.9176.4-170.1-171.4-55.3158.26.2111.7Q62 I63 M64 G70Q62-R66 WeakPolarHBondContact O-CB 3.29Å; Q62-R66 PolarHBondContact O-N 3.48Å; I63-R66 WeakPolarHBondContact O-CB 3.23Å; I63-R66 PolarHBondContact O-N 3.28Å; I63-R66 VanDerWaalsContact O-N 3.17Å; M64-R66 VanDerWaalsContact C-N 3.34Å; M64-R66 PolarHBondContact O-N 3Å; R66-G70 PolarHBondContact O-N 3.29Å
67L98.1Very high97.2Very high43 Ų4360.4 Ų60.423%0.22532%0.319CS..Hα-helixtrans-64.4-43.3177.1-67.3170.6000110.9I63 M64 G70 Y76I63-L67 HydrophobicContact CG2-CD1 4Å; I63-L67 WeakPolarHBondContact O-CG 3.41Å; I63-L67 PolarHBondContact O-N 2.9Å; M64-L67 HydrophobicContact CE-CD1 4.34Å; M64-L67 PolarHBondContact O-N 3.34Å; M64-L67 HydrophobicContact SD-CD1 4.22Å; L67-G70 PolarHBondContact O-N 3.41Å; L67-Y76 HydrophobicContact CB-CD1 3.76Å; L67-Y76 HydrophobicContact CB-CD2 4.19Å; L67-Y76 HydrophobicContact CB-CE1 3.71Å; L67-Y76 HydrophobicContact CB-CE2 4.19Å; L67-Y76 HydrophobicContact CB-CG 4.01Å; L67-Y76 HydrophobicContact CD1-CD1 4.32Å; L67-Y76 HydrophobicContact CD1-CE1 3.73Å; L67-Y76 HydrophobicContact CD2-CE1 4.25Å; L67-Y76 HydrophobicContact CD2-CE2 4.48Å; L67-Y76 HydrophobicContact CG-CE1 4.09Å
68R97.6Very high97.4Very high47 Ų4759.5 Ų59.518%0.17731%0.314CS..Hα-helixtrans-71.6-30.6179.3-175.953.1177.1150.47114.2L29 D30 M64 E65 S73 Y76L29-R68 HydrophobicContact CD2-CB 4.15Å; L29-R68 HydrophobicContact CD2-CG 4.48Å; D30-R68 WeakPolarHBondContact OD1-CG 3.37Å; D30-R68 IonicContact OD1-CZ 3.6Å; D30-R68 IonicContact OD1-NE 2.65Å; D30-R68 PolarHBondContact OD1-NE 3.47Å; D30-R68 IonicContact OD2-CZ 3.65Å; D30-R68 IonicContact OD2-NE 3.4Å; D30-R68 PolarHBondContact OD2-NE 3.47Å; D30-R68 IonicContact OD2-NH2 3.37Å; D30-R68 PolarHBondContact OD2-NH2 3.28Å; M64-R68 VanDerWaalsContact O-CB 3.25Å; M64-R68 WeakPolarHBondContact O-CB 3.3Å; M64-R68 PolarHBondContact O-N 3.35Å; E65-R68 PolarHBondContact O-N 2.77Å; R68-S73 PolarHBondContact NH1-O 3.19Å; R68-S73 WeakPolarHBondContact O-CA 3.14Å; R68-S73 WeakPolarHBondContact O-CB 3.46Å; R68-Y76 WeakPolarHBondContact CD-O 3.48Å
69G97.2Very high97.5Very high69 Ų6957.2 Ų57.271%0.71130%0.3SS*.THydrogen-bonded Turntrans-91.3-1.2175.400000114.5E65E65-G69 PolarHBondContact O-N 2.95Å
70G96.1Very high97.6Very high21 Ų2157 Ų5722%0.21629%0.293CS..SBendtrans-87.8-175.1-17600000114.2R66 L67 Q72 S73R66-G70 PolarHBondContact O-N 3.29Å; L67-G70 PolarHBondContact O-N 3.41Å; G70-Q72 PolarHBondContact O-N 3.5Å; G70-Q72 VanDerWaalsContact O-N 3.08Å; G70-S73 WeakPolarHBondContact O-CB 3.42Å; G70-S73 PolarHBondContact O-N 3.39Å
71P95.5Very high97.7Very high132 Ų13257.8 Ų57.886%0.85730%0.3SS*.THydrogen-bonded Turntrans-60-21.7-179.2-24.534.5000114.9
72Q95.5Very high97.7Very high94 Ų9457.6 Ų57.644%0.43930%0.299SS..THydrogen-bonded Turntrans-100.917.9-179.6-57.2-59.6-15.200112.2G70 E74 H75 Y76G70-Q72 PolarHBondContact O-N 3.5Å; G70-Q72 VanDerWaalsContact O-N 3.08Å; Q72-E74 PolarHBondContact O-N 3.43Å; Q72-H75 WeakPolarHBondContact O-CB 2.8Å; Q72-H75 PolarHBondContact O-N 3.03Å; Q72-H75 PolarHBondContact OE1-CD2 3.43Å; Q72-H75 VanDerWaalsContact OE1-CD2 3.24Å; Q72-Y76 HydrophobicContact CB-CD2 4.36Å; Q72-Y76 HydrophobicContact CB-CE2 3.94Å; Q72-Y76 VanDerWaalsContact O-CD2 3.31Å; Q72-Y76 WeakPolarHBondContact O-CD2 3.33Å
73S95.5Very high97.7Very high33 Ų3352.5 Ų52.523%0.23128%0.275CS..G310 helixtrans-44-45.6-172.655.60000113.7R68 G70 H75 Y76R68-S73 PolarHBondContact NH1-O 3.19Å; R68-S73 WeakPolarHBondContact O-CA 3.14Å; R68-S73 WeakPolarHBondContact O-CB 3.46Å; G70-S73 WeakPolarHBondContact O-CB 3.42Å; G70-S73 PolarHBondContact O-N 3.39Å; S73-H75 PolarHBondContact O-N 3.26Å; S73-Y76 CarbonylContact O-C 3.57Å; S73-Y76 WeakPolarHBondContact O-CA 3.45Å; S73-Y76 PolarHBondContact O-N 3.14Å
74E96.1Very high97.7Very high133 Ų13354.7 Ų54.762%0.62130%0.295SS*.G310 helixtrans-58.5-34.1-178.5-64.4-52.3122.300113Q72 Y76 R77Q72-E74 PolarHBondContact O-N 3.43Å; E74-Y76 VanDerWaalsContact C-N 3.26Å; E74-Y76 PolarHBondContact O-N 3.28Å; E74-R77 WeakPolarHBondContact O-CB 3.21Å; E74-R77 PolarHBondContact O-N 3.08Å
75H98.3Very high97.7Very high78 Ų7855.4 Ų55.436%0.36130%0.298SS..G310 helixtrans-72.3-20.9176.6-63.5-56000112.9Q72 S73 T81 M82 H85Q72-H75 WeakPolarHBondContact O-CB 2.8Å; Q72-H75 PolarHBondContact O-N 3.03Å; Q72-H75 PolarHBondContact OE1-CD2 3.43Å; Q72-H75 VanDerWaalsContact OE1-CD2 3.24Å; S73-H75 PolarHBondContact O-N 3.26Å; H75-T81 CarbonylContact O-C 3.09Å; H75-T81 WeakPolarHBondContact O-CB 3.07Å; H75-T81 PolarHBondContact O-OG1 3.03Å; H75-M82 WeakPolarHBondContact O-CA 3.11Å; H75-M82 PolarHBondContact O-N 3.45Å; H75-H85 HydrophobicContact CB-CB 3.7Å; H75-H85 VanDerWaalsContact CB-CG 3.5Å; H75-H85 AromaticContact CD2-CE1 3.42Å; H75-H85 PolarHBondContact CD2-CE1 2.95Å; H75-H85 VanDerWaalsContact CD2-CE1 3.42Å; H75-H85 AromaticContact CD2-CG 3.95Å; H75-H85 AromaticContact CD2-ND1 3.27Å; H75-H85 PolarHBondContact CD2-ND1 3.29Å; H75-H85 VanDerWaalsContact CD2-ND1 3.27Å; H75-H85 AromaticContact CE1-ND1 3.94Å; H75-H85 AromaticContact CG-CE1 3.84Å; H75-H85 AromaticContact CG-CG 3.56Å; H75-H85 AromaticContact CG-ND1 3.3Å; H75-H85 VanDerWaalsContact CG-ND1 3.3Å; H75-H85 AromaticContact ND1-ND1 3.73Å; H75-H85 AromaticContact NE2-CE1 3.99Å; H75-H85 AromaticContact NE2-ND1 3.68Å
76Y98.4Very high97.7Very high10 Ų1052.1 Ų52.14%0.03928%0.283CS..G310 helixtrans-97.117.8177-63.9-90.6000112.6L29 M64 L67 R68 Q72 S73 E74 M82 E86L29-Y76 WeakPolarHBondContact CB-O 3.43Å; L29-Y76 WeakPolarHBondContact CD2-O 3.32Å; M64-Y76 HydrophobicContact CE-CD1 4.43Å; L67-Y76 HydrophobicContact CB-CD1 3.76Å; L67-Y76 HydrophobicContact CB-CD2 4.19Å; L67-Y76 HydrophobicContact CB-CE1 3.71Å; L67-Y76 HydrophobicContact CB-CE2 4.19Å; L67-Y76 HydrophobicContact CB-CG 4.01Å; L67-Y76 HydrophobicContact CD1-CD1 4.32Å; L67-Y76 HydrophobicContact CD1-CE1 3.73Å; L67-Y76 HydrophobicContact CD2-CE1 4.25Å; L67-Y76 HydrophobicContact CD2-CE2 4.48Å; L67-Y76 HydrophobicContact CG-CE1 4.09Å; R68-Y76 WeakPolarHBondContact CD-O 3.48Å; Q72-Y76 HydrophobicContact CB-CD2 4.36Å; Q72-Y76 HydrophobicContact CB-CE2 3.94Å; Q72-Y76 VanDerWaalsContact O-CD2 3.31Å; Q72-Y76 WeakPolarHBondContact O-CD2 3.33Å; S73-Y76 CarbonylContact O-C 3.57Å; S73-Y76 WeakPolarHBondContact O-CA 3.45Å; S73-Y76 PolarHBondContact O-N 3.14Å; E74-Y76 VanDerWaalsContact C-N 3.26Å; E74-Y76 PolarHBondContact O-N 3.28Å; Y76-M82 HydrophobicContact CD1-CB 4.18Å; Y76-M82 HydrophobicContact CD1-CG 3.59Å; Y76-M82 HydrophobicContact CD1-SD 3.9Å; Y76-M82 HydrophobicContact CE1-CG 3.62Å; Y76-M82 HydrophobicContact CE1-SD 4.1Å; Y76-E86 PolarHBondContact OH-OE1 3.36Å
77R98.2Very high97.7Very high98 Ų9846.7 Ų46.737%0.3727%0.266SS..SBendtrans-62.1-45.3177.6-170.9-17182.1122.57.6112.5E26 L29 E74E26-R77 IonicContact OE1-NH2 3.49Å; E26-R77 IonicContact OE2-CZ 3.97Å; E26-R77 IonicContact OE2-NH2 2.84Å; E26-R77 PolarHBondContact OE2-NH2 3.49Å; L29-R77 PolarHBondContact N-O 3.43Å; E74-R77 WeakPolarHBondContact O-CB 3.21Å; E74-R77 PolarHBondContact O-N 3.08Å
78S98.7Very high97.7Very high0 Ų048.8 Ų48.80%029%0.285CS..BIsolated β-bridgetrans-132163.617563.50000111.2E26 V27 Q80 T81 M82E26-S78 WeakPolarHBondContact OE2-CB 3.35Å; E26-S78 PolarHBondContact OE2-OG 2.75Å; V27-S78 CarbonylContact O-C 3.43Å; V27-S78 WeakPolarHBondContact O-CA 3.2Å; V27-S78 WeakPolarHBondContact O-CB 3.27Å; S78-Q80 PolarHBondContact O-N 3.27Å; S78-T81 PolarHBondContact N-OG1 3.28Å; S78-T81 VanDerWaalsContact N-OG1 3.14Å; S78-T81 PolarHBondContact O-N 3.01Å; S78-T81 PolarHBondContact O-OG1 2.75Å; S78-T81 PolarHBondContact OG-N 3.46Å; S78-T81 PolarHBondContact OG-OG1 2.85Å; S78-M82 WeakPolarHBondContact O-CB 3.49Å; S78-M82 PolarHBondContact O-N 3.3Å
79L98.8Very high97.8Very high0 Ų050.8 Ų50.80%030%0.299CS..Hα-helixtrans-60.4-35.3175.4-62.1-169.1000111.4V27 L29 M82 V83 V108 L204V27-L79 HydrophobicContact CB-CB 4.12Å; V27-L79 HydrophobicContact CB-CD1 3.77Å; V27-L79 HydrophobicContact CB-CG 3.73Å; V27-L79 HydrophobicContact CG1-CD1 3.59Å; V27-L79 HydrophobicContact CG1-CG 3.76Å; V27-L79 HydrophobicContact CG2-CD1 4.32Å; V27-L79 PolarHBondContact O-N 3.38Å; L29-L79 HydrophobicContact CD1-CD2 4.08Å; L79-M82 HydrophobicContact CD2-CE 3.95Å; L79-M82 PolarHBondContact O-N 3.37Å; L79-V83 WeakPolarHBondContact O-CB 3.38Å; L79-V83 VanDerWaalsContact O-CG2 3.29Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.08Å; L79-V108 HydrophobicContact CD1-CG1 3.93Å; L79-V108 HydrophobicContact CD2-CB 4.41Å; L79-V108 HydrophobicContact CD2-CG1 3.8Å; L79-V108 HydrophobicContact CD2-CG2 3.96Å; L79-L204 HydrophobicContact CB-CD2 3.68Å
80Q98.7Very high97.8Very high47 Ų4755.4 Ų55.422%0.2230%0.302CS..Hα-helixtrans-62.1-51.7177.3-72.581.3-1200111.7E25 E26 S78 M82 V83 A84 L204E25-Q80 PolarHBondContact O-NE2 3.39Å; E25-Q80 VanDerWaalsContact O-NE2 3.08Å; E26-Q80 HydrophobicContact CG-CG 4.37Å; S78-Q80 PolarHBondContact O-N 3.27Å; Q80-M82 VanDerWaalsContact C-N 3.26Å; Q80-M82 PolarHBondContact O-N 2.86Å; Q80-V83 PolarHBondContact O-N 3.33Å; Q80-A84 WeakPolarHBondContact O-CB 3.47Å; Q80-A84 PolarHBondContact O-N 3.2Å; Q80-L204 HydrophobicContact CG-CD1 4.17Å; Q80-L204 HydrophobicContact CG-CD2 4.11Å
81T98.6Very high97.8Very high41 Ų4156.7 Ų56.725%0.25230%0.304SS..Hα-helixtrans-64.7-34.8178.658.80000111.5H75 S78 H85H75-T81 CarbonylContact O-C 3.09Å; H75-T81 WeakPolarHBondContact O-CB 3.07Å; H75-T81 PolarHBondContact O-OG1 3.03Å; S78-T81 PolarHBondContact N-OG1 3.28Å; S78-T81 VanDerWaalsContact N-OG1 3.14Å; S78-T81 PolarHBondContact O-N 3.01Å; S78-T81 PolarHBondContact O-OG1 2.75Å; S78-T81 PolarHBondContact OG-N 3.46Å; S78-T81 PolarHBondContact OG-OG1 2.85Å; T81-H85 VanDerWaalsContact O-CB 3.25Å; T81-H85 WeakPolarHBondContact O-CB 3.31Å; T81-H85 PolarHBondContact O-N 3.27Å
82M98.8Very high97.9Very high1 Ų151.1 Ų51.11%0.00527%0.267CS..Hα-helixtrans-64.9-50.6177.4176.9-169.976.200111M64 H75 Y76 S78 L79 Q80 A84 H85 E86 G104 V108M64-M82 HydrophobicContact CE-SD 3.67Å; H75-M82 WeakPolarHBondContact O-CA 3.11Å; H75-M82 PolarHBondContact O-N 3.45Å; Y76-M82 HydrophobicContact CD1-CB 4.18Å; Y76-M82 HydrophobicContact CD1-CG 3.59Å; Y76-M82 HydrophobicContact CD1-SD 3.9Å; Y76-M82 HydrophobicContact CE1-CG 3.62Å; Y76-M82 HydrophobicContact CE1-SD 4.1Å; S78-M82 WeakPolarHBondContact O-CB 3.49Å; S78-M82 PolarHBondContact O-N 3.3Å; L79-M82 HydrophobicContact CD2-CE 3.95Å; L79-M82 PolarHBondContact O-N 3.37Å; Q80-M82 VanDerWaalsContact C-N 3.26Å; Q80-M82 PolarHBondContact O-N 2.86Å; M82-A84 VanDerWaalsContact C-N 3.34Å; M82-A84 PolarHBondContact O-N 2.86Å; M82-H85 PolarHBondContact O-N 3.41Å; M82-E86 HydrophobicContact CG-CG 4.38Å; M82-E86 WeakPolarHBondContact O-CB 3.37Å; M82-E86 WeakPolarHBondContact O-CG 3.49Å; M82-E86 PolarHBondContact O-N 3.14Å; M82-G104 VanDerWaalsContact SD-C 3.58Å; M82-V108 HydrophobicContact CE-CB 4.3Å; M82-V108 HydrophobicContact CE-CG2 4.12Å; M82-V108 HydrophobicContact SD-CG2 4.31Å
83V98.8Very high98Very high1 Ų147.2 Ų47.21%0.00625%0.249CC..Hα-helixtrans-58.9-47178.61670000110.6L79 Q80 H85 L87 L204 H208 L210L79-V83 WeakPolarHBondContact O-CB 3.38Å; L79-V83 VanDerWaalsContact O-CG2 3.29Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.08Å; Q80-V83 PolarHBondContact O-N 3.33Å; V83-H85 PolarHBondContact O-N 3.08Å; V83-L87 HydrophobicContact CG1-CD1 3.76Å; V83-L87 HydrophobicContact CG1-CG 4.42Å; V83-L87 WeakPolarHBondContact O-CB 3.27Å; V83-L87 VanDerWaalsContact O-CG 3.29Å; V83-L87 WeakPolarHBondContact O-CG 3.33Å; V83-L87 PolarHBondContact O-N 3.16Å; V83-L204 HydrophobicContact CG2-CD2 4.08Å; V83-L204 HydrophobicContact CG2-CG 4.3Å; V83-H208 HydrophobicContact CG1-CB 4.24Å; V83-L210 HydrophobicContact CG1-CD1 3.84Å; V83-L210 HydrophobicContact CG2-CD1 4.1Å
84A98.6Very high97.9Very high59 Ų5950.7 Ų50.749%0.48827%0.265SS..Hα-helixtrans-59.3-48.317800000111.8Q80 M82 S88Q80-A84 WeakPolarHBondContact O-CB 3.47Å; Q80-A84 PolarHBondContact O-N 3.2Å; M82-A84 VanDerWaalsContact C-N 3.34Å; M82-A84 PolarHBondContact O-N 2.86Å; A84-S88 VanDerWaalsContact O-CB 3.3Å; A84-S88 WeakPolarHBondContact O-CB 3.47Å; A84-S88 PolarHBondContact O-N 3.01Å; A84-S88 PolarHBondContact O-OG 2.89Å; A84-S88 VanDerWaalsContact O-OG 3.08Å
85H98.6Very high97.6Very high16 Ų1653 Ų537%0.07428%0.276CS..Hα-helixtrans-63.6-49.8-179.8170.178.9000112.8H75 T81 M82 V83 L87 S88 N89H75-H85 HydrophobicContact CB-CB 3.7Å; H75-H85 VanDerWaalsContact CB-CG 3.5Å; H75-H85 AromaticContact CD2-CE1 3.42Å; H75-H85 PolarHBondContact CD2-CE1 2.95Å; H75-H85 VanDerWaalsContact CD2-CE1 3.42Å; H75-H85 AromaticContact CD2-CG 3.95Å; H75-H85 AromaticContact CD2-ND1 3.27Å; H75-H85 PolarHBondContact CD2-ND1 3.29Å; H75-H85 VanDerWaalsContact CD2-ND1 3.27Å; H75-H85 AromaticContact CE1-ND1 3.94Å; H75-H85 AromaticContact CG-CE1 3.84Å; H75-H85 AromaticContact CG-CG 3.56Å; H75-H85 AromaticContact CG-ND1 3.3Å; H75-H85 VanDerWaalsContact CG-ND1 3.3Å; H75-H85 AromaticContact ND1-ND1 3.73Å; H75-H85 AromaticContact NE2-CE1 3.99Å; H75-H85 AromaticContact NE2-ND1 3.68Å; T81-H85 VanDerWaalsContact O-CB 3.25Å; T81-H85 WeakPolarHBondContact O-CB 3.31Å; T81-H85 PolarHBondContact O-N 3.27Å; M82-H85 PolarHBondContact O-N 3.41Å; V83-H85 PolarHBondContact O-N 3.08Å; H85-L87 PolarHBondContact O-N 3.15Å; H85-S88 PolarHBondContact O-N 3.46Å; H85-S88 PolarHBondContact O-OG 2.6Å; H85-S88 VanDerWaalsContact O-OG 3.11Å; H85-N89 PolarHBondContact ND1-ND2 3.14Å; H85-N89 WeakPolarHBondContact O-CB 3.3Å; H85-N89 PolarHBondContact O-N 2.89Å; H85-N89 VanDerWaalsContact O-N 3.15Å; H85-N89 PolarHBondContact O-ND2 3.39Å
86E98.6Very high97.3Very high2 Ų258.5 Ų58.51%0.00929%0.293CS..Hα-helixtrans-68.6-36.4-175.8-68.5-163.715400111.7Y76 M82 Q90 L91 V92 G104 C105Y76-E86 PolarHBondContact OH-OE1 3.36Å; M82-E86 HydrophobicContact CG-CG 4.38Å; M82-E86 WeakPolarHBondContact O-CB 3.37Å; M82-E86 WeakPolarHBondContact O-CG 3.49Å; M82-E86 PolarHBondContact O-N 3.14Å; E86-Q90 PolarHBondContact O-N 2.93Å; E86-Q90 VanDerWaalsContact O-N 3.15Å; E86-L91 HydrophobicContact CB-CB 4.07Å; E86-L91 HydrophobicContact CG-CB 4.24Å; E86-L91 PolarHBondContact O-N 3.06Å; E86-V92 HydrophobicContact CB-CG2 3.55Å; E86-G104 WeakPolarHBondContact OE1-CA 3.36Å; E86-G104 PolarHBondContact OE1-N 3.17Å; E86-G104 PolarHBondContact OE2-N 3.06Å; E86-C105 WeakPolarHBondContact OE2-CB 3.14Å; E86-C105 PolarHBondContact OE2-N 3.12Å; E86-C105 PolarHBondContact OE2-SG 3.07Å
87L98.3Very high97Very high56 Ų5664.2 Ų64.229%0.29331%0.314SS..Hα-helixtrans-69.6-45.6175.1-69.8178.5000112.3V83 H85 N89 Q90 V92 L94 H208 L210V83-L87 HydrophobicContact CG1-CD1 3.76Å; V83-L87 HydrophobicContact CG1-CG 4.42Å; V83-L87 WeakPolarHBondContact O-CB 3.27Å; V83-L87 VanDerWaalsContact O-CG 3.29Å; V83-L87 WeakPolarHBondContact O-CG 3.33Å; V83-L87 PolarHBondContact O-N 3.16Å; H85-L87 PolarHBondContact O-N 3.15Å; L87-N89 PolarHBondContact O-N 3.46Å; L87-Q90 PolarHBondContact O-N 3.2Å; L87-V92 HydrophobicContact CD2-CB 4.44Å; L87-V92 HydrophobicContact CD2-CG2 4.19Å; L87-L94 HydrophobicContact CD2-CD2 4.38Å; L87-H208 HydrophobicContact CD1-CB 4.12Å; L87-L210 HydrophobicContact CD1-CD1 4.35Å; L87-L210 HydrophobicContact CD2-CD2 4.09Å
88S98Very high96.7Very high87 Ų8762.4 Ų62.461%0.60832%0.317SS*.Hα-helixtrans-63.7-26.4-178.967.30000113A84 H85A84-S88 VanDerWaalsContact O-CB 3.3Å; A84-S88 WeakPolarHBondContact O-CB 3.47Å; A84-S88 PolarHBondContact O-N 3.01Å; A84-S88 PolarHBondContact O-OG 2.89Å; A84-S88 VanDerWaalsContact O-OG 3.08Å; H85-S88 PolarHBondContact O-N 3.46Å; H85-S88 PolarHBondContact O-OG 2.6Å; H85-S88 VanDerWaalsContact O-OG 3.11Å
89N97.9Very high96.5Very high89 Ų8970.1 Ų70.148%0.47635%0.353SS..THydrogen-bonded Turntrans-105.410.4-178.7-65.4-81.7000113.4H85 L87 L91H85-N89 PolarHBondContact ND1-ND2 3.14Å; H85-N89 WeakPolarHBondContact O-CB 3.3Å; H85-N89 PolarHBondContact O-N 2.89Å; H85-N89 VanDerWaalsContact O-N 3.15Å; H85-N89 PolarHBondContact O-ND2 3.39Å; L87-N89 PolarHBondContact O-N 3.46Å; N89-L91 HydrophobicContact CB-CD1 4Å; N89-L91 HydrophobicContact CB-CD2 4.44Å; N89-L91 HydrophobicContact CB-CG 3.82Å; N89-L91 PolarHBondContact O-N 3.36Å
90Q97.3Very high96.3Very high165 Ų16573.1 Ų73.177%0.77137%0.367SS*.THydrogen-bonded Turntrans56.234.9178.4-57.1179.3-15.800113.9E86 L87 V92 H100E86-Q90 PolarHBondContact O-N 2.93Å; E86-Q90 VanDerWaalsContact O-N 3.15Å; L87-Q90 PolarHBondContact O-N 3.2Å; Q90-V92 VanDerWaalsContact C-N 3.27Å; Q90-V92 PolarHBondContact O-N 3.36Å; Q90-H100 PolarHBondContact O-CD2 3.42Å; Q90-H100 PolarHBondContact O-NE2 3.1Å
91L97.8Very high96Very high49 Ų4973.3 Ų73.326%0.25737%0.372SS..  trans-89.213-179.5-53.7178.1000112.8E86 N89 H100 S103E86-L91 HydrophobicContact CB-CB 4.07Å; E86-L91 HydrophobicContact CG-CB 4.24Å; E86-L91 PolarHBondContact O-N 3.06Å; N89-L91 HydrophobicContact CB-CD1 4Å; N89-L91 HydrophobicContact CB-CD2 4.44Å; N89-L91 HydrophobicContact CB-CG 3.82Å; N89-L91 PolarHBondContact O-N 3.36Å; L91-H100 WeakPolarHBondContact O-CB 3.41Å; L91-S103 WeakPolarHBondContact O-CB 3.24Å
92V97.5Very high95.9Very high14 Ų1475.7 Ų75.79%0.08538%0.38CS..SBendtrans-122.5121179.8-169.50000109.9E86 L87 Q90 L94 C105 L213E86-V92 HydrophobicContact CB-CG2 3.55Å; L87-V92 HydrophobicContact CD2-CB 4.44Å; L87-V92 HydrophobicContact CD2-CG2 4.19Å; Q90-V92 VanDerWaalsContact C-N 3.27Å; Q90-V92 PolarHBondContact O-N 3.36Å; V92-L94 HydrophobicContact CB-CD2 4.31Å; V92-L94 HydrophobicContact CG1-CD2 3.96Å; V92-L94 PolarHBondContact O-N 3.29Å; V92-C105 HydrophobicContact CG1-CB 4.31Å; V92-C105 HydrophobicContact CG2-CB 4.06Å; V92-L213 HydrophobicContact CG1-CD1 3.82Å; V92-L213 HydrophobicContact CG1-CD2 3.56Å; V92-L213 HydrophobicContact CG1-CG 4.34Å
93D96Very high95.9Very high13 Ų1376 Ų767%0.0738%0.383CS..  trans-72.7102.4168.4-74.3-39.4000109.8R96 S98 H99 H100 P214D93-R96 WeakPolarHBondContact CB-O 3.28Å; D93-S98 VanDerWaalsContact CG-N 3.28Å; D93-S98 PolarHBondContact OD1-OG 3.44Å; D93-S98 PolarHBondContact OD2-N 3.37Å; D93-H99 PolarHBondContact OD1-N 2.91Å; D93-H100 WeakPolarHBondContact OD2-CA 3.42Å; D93-H100 PolarHBondContact OD2-N 3.45Å; D93-P214 WeakPolarHBondContact O-CD 2.94Å; D93-P214 WeakPolarHBondContact O-CG 3.35Å
94L94.4Very high95.9Very high106 Ų10676 Ų7656%0.55538%0.382SS*.SBendtrans-78.4-37.6-174.4-62.5178.7000114.1L87 V92 L210 L213L87-L94 HydrophobicContact CD2-CD2 4.38Å; V92-L94 HydrophobicContact CB-CD2 4.31Å; V92-L94 HydrophobicContact CG1-CD2 3.96Å; V92-L94 PolarHBondContact O-N 3.29Å; L94-L210 HydrophobicContact CD2-CD2 4.02Å; L94-L213 HydrophobicContact CD2-CD2 3.77Å
95E90.6Very high95.9Very high182 Ų18273.2 Ų73.285%0.8536%0.359SS*.SBendtrans-104.4-45.7-173.7-63.6-176.7175.200113.2
96R91.5Very high95.9Very high193 Ų19373.5 Ų73.573%0.72836%0.36SS*.SBendtrans-145.4142.2-177.664.6-178.6-177.9171-0.4110.1D93 S98D93-R96 WeakPolarHBondContact CB-O 3.28Å; R96-S98 PolarHBondContact O-N 3.29Å
97R91.2Very high95.9Very high129 Ų12973.5 Ų73.549%0.48736%0.36SS..  trans-60.4127.4175.6-62.7179.874.6-166.83.5109.8P101 R106 P214R97-P101 HydrophobicContact CB-CB 4.44Å; R97-P101 PolarHBondContact NE-O 3.01Å; R97-P101 PolarHBondContact NH2-O 3.46Å; R97-R106 VanDerWaalsContact NE-CZ 3.34Å; R97-P214 HydrophobicContact CG-CB 4Å; R97-P214 HydrophobicContact CG-CG 4.12Å
98S92.9Very high95.9Very high60 Ų6070.9 Ų70.942%0.4235%0.346SS..SBendtrans-145.8-103.3-177.774.90000110.7D93 R96 P101D93-S98 VanDerWaalsContact CG-N 3.28Å; D93-S98 PolarHBondContact OD1-OG 3.44Å; D93-S98 PolarHBondContact OD2-N 3.37Å; R96-S98 PolarHBondContact O-N 3.29Å; S98-P101 WeakPolarHBondContact O-CD 3.35Å
99H93Very high95.9Very high162 Ų16266.8 Ų66.875%0.7532%0.317SS*.SBendtrans-78.2-24.4-174.7-62.2-72.9000113.1D93 P101D93-H99 PolarHBondContact OD1-N 2.91Å; H99-P101 VanDerWaalsContact O-CD 3.29Å; H99-P101 WeakPolarHBondContact O-CD 3.38Å
100H94.9Very high95.9Very high64 Ų6464.6 Ų64.630%0.29630%0.302SS..  trans-12354.5-177-55.1-68.8000112.1Q90 L91 D93 E102 S103Q90-H100 PolarHBondContact O-CD2 3.42Å; Q90-H100 PolarHBondContact O-NE2 3.1Å; L91-H100 WeakPolarHBondContact O-CB 3.41Å; D93-H100 WeakPolarHBondContact OD2-CA 3.42Å; D93-H100 PolarHBondContact OD2-N 3.45Å; H100-E102 PolarHBondContact O-N 3.26Å; H100-S103 PolarHBondContact O-N 3.1Å
101P93.7Very high96Very high51 Ų5156.8 Ų56.833%0.33127%0.266SS..THydrogen-bonded Turntrans-71.4-2.2-172.134.5-38.8000112.3R97 S98 H99 R106R97-P101 HydrophobicContact CB-CB 4.44Å; R97-P101 PolarHBondContact NE-O 3.01Å; R97-P101 PolarHBondContact NH2-O 3.46Å; S98-P101 WeakPolarHBondContact O-CD 3.35Å; H99-P101 VanDerWaalsContact O-CD 3.29Å; H99-P101 WeakPolarHBondContact O-CD 3.38Å; P101-R106 VanDerWaalsContact C-CD 3.49Å; P101-R106 VanDerWaalsContact O-CD 3.26Å; P101-R106 WeakPolarHBondContact O-CD 3.4Å; P101-R106 PolarHBondContact O-NE 2.95Å; P101-R106 PolarHBondContact O-NH1 3.26Å
102E96.5Very high96Very high91 Ų9154.5 Ų54.543%0.42525%0.254SS..THydrogen-bonded Turntrans-134.730.5178.8-62.7-167.8147.800112.3I63 H100I63-E102 HydrophobicContact CD1-CB 4.22Å; I63-E102 HydrophobicContact CD1-CG 4.17Å; I63-E102 HydrophobicContact CG2-CB 4.43Å; H100-E102 PolarHBondContact O-N 3.26Å
103S98.3Very high96Very high8 Ų855 Ų556%0.05625%0.254CS..  trans-54.7151.9175.378.40000112.7L91 H100 C105 R106 T107L91-S103 WeakPolarHBondContact O-CB 3.24Å; H100-S103 PolarHBondContact O-N 3.1Å; S103-C105 VanDerWaalsContact C-N 3.33Å; S103-C105 PolarHBondContact O-N 2.77Å; S103-R106 VanDerWaalsContact O-CG 3.23Å; S103-R106 WeakPolarHBondContact O-CG 3.46Å; S103-R106 PolarHBondContact O-N 3.32Å; S103-R106 WeakPolarHBondContact OG-CG 3.48Å; S103-R106 PolarHBondContact OG-N 3.36Å; S103-T107 WeakPolarHBondContact O-CB 3.36Å; S103-T107 PolarHBondContact O-N 3.08Å; S103-T107 PolarHBondContact O-OG1 3.27Å
104G98.5Very high96Very high0 Ų055 Ų550%026%0.256CS..Hα-helixtrans-57.9-44.8176.200000111.8M82 E86 R106 T107 V108M82-G104 VanDerWaalsContact SD-C 3.58Å; E86-G104 WeakPolarHBondContact OE1-CA 3.36Å; E86-G104 PolarHBondContact OE1-N 3.17Å; E86-G104 PolarHBondContact OE2-N 3.06Å; G104-R106 PolarHBondContact O-N 3Å; G104-T107 PolarHBondContact O-N 3.15Å; G104-V108 WeakPolarHBondContact O-CB 3.29Å; G104-V108 WeakPolarHBondContact O-CG2 3.46Å; G104-V108 PolarHBondContact O-N 3.27Å
105C98.7Very high96Very high0 Ų049.9 Ų49.90%023%0.229CC..Hα-helixtrans-57.1-50.7177.4-68.50000111.7E86 V92 S103 T107 L109 Y205 L210 L213E86-C105 WeakPolarHBondContact OE2-CB 3.14Å; E86-C105 PolarHBondContact OE2-N 3.12Å; E86-C105 PolarHBondContact OE2-SG 3.07Å; V92-C105 HydrophobicContact CG1-CB 4.31Å; V92-C105 HydrophobicContact CG2-CB 4.06Å; S103-C105 VanDerWaalsContact C-N 3.33Å; S103-C105 PolarHBondContact O-N 2.77Å; C105-T107 VanDerWaalsContact C-N 3.3Å; C105-T107 PolarHBondContact O-N 2.91Å; C105-L109 WeakPolarHBondContact O-CB 3.3Å; C105-L109 PolarHBondContact O-N 2.95Å; C105-Y205 WeakPolarHBondContact O-CE1 3.37Å; C105-Y205 PolarHBondContact O-OH 3.41Å; C105-L210 HydrophobicContact CB-CD1 4.5Å; C105-L213 HydrophobicContact CB-CD1 3.76Å
106R98.3Very high96.3Very high23 Ų2344.9 Ų44.99%0.08720%0.203CC..Hα-helixtrans-68.3-34.8-179.776.4173.5-65.8-81.6-6.2111.6R97 P101 S103 G104 L109 R110 L213 P214R97-R106 VanDerWaalsContact NE-CZ 3.34Å; P101-R106 VanDerWaalsContact C-CD 3.49Å; P101-R106 VanDerWaalsContact O-CD 3.26Å; P101-R106 WeakPolarHBondContact O-CD 3.4Å; P101-R106 PolarHBondContact O-NE 2.95Å; P101-R106 PolarHBondContact O-NH1 3.26Å; S103-R106 VanDerWaalsContact O-CG 3.23Å; S103-R106 WeakPolarHBondContact O-CG 3.46Å; S103-R106 PolarHBondContact O-N 3.32Å; S103-R106 WeakPolarHBondContact OG-CG 3.48Å; S103-R106 PolarHBondContact OG-N 3.36Å; G104-R106 PolarHBondContact O-N 3Å; R106-L109 WeakPolarHBondContact O-CB 3.44Å; R106-R110 WeakPolarHBondContact O-CD 3.41Å; R106-R110 PolarHBondContact O-NH1 3.21Å; R106-L213 HydrophobicContact CB-CB 4.24Å; R106-L213 HydrophobicContact CB-CD1 4.22Å; R106-P214 VanDerWaalsContact CZ-O 3.31Å; R106-P214 PolarHBondContact NE-O 3.03Å; R106-P214 PolarHBondContact NH2-O 3.44Å; R106-P214 PolarHBondContact NH2-OXT 3.06Å
107T98.5Very high96.5Very high2 Ų237.1 Ų37.11%0.01217%0.173CC..Hα-helixtrans-70.1-50.2-176.6-63.60000110.7K60 I63 M64 S103 G104 C105 L109 R110 L111K60-T107 HydrophobicContact CB-CG2 3.7Å; K60-T107 HydrophobicContact CG-CG2 3.94Å; I63-T107 HydrophobicContact CB-CG2 4.05Å; I63-T107 HydrophobicContact CD1-CG2 4.37Å; I63-T107 HydrophobicContact CG2-CG2 3.96Å; M64-T107 HydrophobicContact CG-CG2 3.97Å; M64-T107 HydrophobicContact SD-CG2 3.62Å; S103-T107 WeakPolarHBondContact O-CB 3.36Å; S103-T107 PolarHBondContact O-N 3.08Å; S103-T107 PolarHBondContact O-OG1 3.27Å; G104-T107 PolarHBondContact O-N 3.15Å; C105-T107 VanDerWaalsContact C-N 3.3Å; C105-T107 PolarHBondContact O-N 2.91Å; T107-L109 VanDerWaalsContact C-N 3.29Å; T107-L109 PolarHBondContact O-N 3.33Å; T107-R110 PolarHBondContact O-N 2.83Å; T107-L111 PolarHBondContact O-N 2.99Å
108V98.6Very high96.5Very high0 Ų031.4 Ų31.40%015%0.152CC..Hα-helixtrans-62.7-35.8175.3169.90000111M64 L79 M82 G104 R110 L111 H112 Y205M64-V108 HydrophobicContact CE-CG2 3.52Å; M64-V108 HydrophobicContact CG-CG2 4.16Å; M64-V108 HydrophobicContact SD-CG2 3.63Å; L79-V108 HydrophobicContact CD1-CG1 3.93Å; L79-V108 HydrophobicContact CD2-CB 4.41Å; L79-V108 HydrophobicContact CD2-CG1 3.8Å; L79-V108 HydrophobicContact CD2-CG2 3.96Å; M82-V108 HydrophobicContact CE-CB 4.3Å; M82-V108 HydrophobicContact CE-CG2 4.12Å; M82-V108 HydrophobicContact SD-CG2 4.31Å; G104-V108 WeakPolarHBondContact O-CB 3.29Å; G104-V108 WeakPolarHBondContact O-CG2 3.46Å; G104-V108 PolarHBondContact O-N 3.27Å; V108-R110 PolarHBondContact O-N 3.21Å; V108-L111 CarbonylContact O-C 3.54Å; V108-L111 WeakPolarHBondContact O-CB 3.5Å; V108-L111 PolarHBondContact O-N 3.41Å; V108-H112 WeakPolarHBondContact O-CB 3.48Å; V108-H112 PolarHBondContact O-N 2.81Å; V108-Y205 VanDerWaalsContact CB-OH 3.27Å; V108-Y205 WeakPolarHBondContact CB-OH 3.18Å; V108-Y205 HydrophobicContact CG1-CE2 4.33Å; V108-Y205 WeakPolarHBondContact CG1-OH 3.38Å
109L98.6Very high96.6Very high1 Ų129.2 Ų29.21%0.00514%0.136CC..Hα-helixtrans-54.4-38.4175.5-178.360.5000113C105 R106 T107 H112 R113 Y205 L210 L213C105-L109 WeakPolarHBondContact O-CB 3.3Å; C105-L109 PolarHBondContact O-N 2.95Å; R106-L109 WeakPolarHBondContact O-CB 3.44Å; T107-L109 VanDerWaalsContact C-N 3.29Å; T107-L109 PolarHBondContact O-N 3.33Å; L109-H112 PolarHBondContact O-N 3.1Å; L109-R113 VanDerWaalsContact O-CG 3.27Å; L109-R113 WeakPolarHBondContact O-CG 3.43Å; L109-R113 PolarHBondContact O-N 3.3Å; L109-Y205 HydrophobicContact CB-CD1 4.34Å; L109-Y205 HydrophobicContact CB-CE1 3.76Å; L109-Y205 HydrophobicContact CD1-CD1 3.81Å; L109-Y205 HydrophobicContact CD1-CE1 4.09Å; L109-Y205 HydrophobicContact CG-CE1 4.41Å; L109-L210 VanDerWaalsContact CD2-O 3.29Å; L109-L210 WeakPolarHBondContact CD2-O 3.46Å; L109-L213 HydrophobicContact CD2-CB 3.79Å; L109-L213 HydrophobicContact CD2-CG 4.39Å
110R97.9Very high96.8Very high44 Ų4423.9 Ų23.917%0.16611%0.112CC..Hα-helixtrans-72.2-39.7177.8-78.978.3-178.7145.412.3111.6K60 R106 T107 V108 H112 R113 A114 L213 P214K60-R110 HydrophobicContact CD-CB 3.6Å; K60-R110 HydrophobicContact CD-CG 4.47Å; R106-R110 WeakPolarHBondContact O-CD 3.41Å; R106-R110 PolarHBondContact O-NH1 3.21Å; T107-R110 PolarHBondContact O-N 2.83Å; V108-R110 PolarHBondContact O-N 3.21Å; R110-H112 VanDerWaalsContact C-N 3.34Å; R110-R113 PolarHBondContact O-N 2.88Å; R110-A114 PolarHBondContact O-N 3.03Å; R110-L213 PolarHBondContact NH1-O 3.08Å; R110-L213 VanDerWaalsContact NH1-O 3.13Å; R110-L213 PolarHBondContact NH2-O 3.4Å; R110-P214 PolarHBondContact NH2-O 2.68Å; R110-P214 PolarHBondContact NH2-OXT 2.82Å
111L97.9Very high96.8Very high1 Ų121.2 Ų21.21%0.00510%0.1CC..Hα-helixtrans-60.4-47.2172.4-65.1175.4000110.1Y32 W36 V57 K60 L61 M64 T107 V108 R113 A114 L115Y32-L111 HydrophobicContact CE1-CB 4.33Å; Y32-L111 HydrophobicContact CE1-CD1 4.21Å; W36-L111 HydrophobicContact CD2-CD2 4.36Å; W36-L111 HydrophobicContact CZ2-CB 4.17Å; W36-L111 WeakPolarHBondContact CZ2-O 3.33Å; V57-L111 HydrophobicContact CB-CD2 4.46Å; V57-L111 HydrophobicContact CG1-CD2 3.82Å; K60-L111 HydrophobicContact CB-CD1 4.25Å; K60-L111 HydrophobicContact CB-CD2 3.91Å; K60-L111 HydrophobicContact CB-CG 4.04Å; K60-L111 HydrophobicContact CD-CD2 4.27Å; K60-L111 HydrophobicContact CD-CG 4.32Å; L61-L111 HydrophobicContact CD2-CD1 3.85Å; L61-L111 HydrophobicContact CD2-CD2 4.36Å; M64-L111 HydrophobicContact CG-CD1 4.42Å; T107-L111 PolarHBondContact O-N 2.99Å; V108-L111 CarbonylContact O-C 3.54Å; V108-L111 WeakPolarHBondContact O-CB 3.5Å; V108-L111 PolarHBondContact O-N 3.41Å; L111-R113 PolarHBondContact O-N 3.4Å; L111-A114 CarbonylContact O-C 3.41Å; L111-A114 WeakPolarHBondContact O-CA 3.29Å; L111-A114 WeakPolarHBondContact O-CB 3.27Å; L111-A114 PolarHBondContact O-N 2.98Å; L111-L115 PolarHBondContact O-N 3.46Å
112H98.1Very high96.8Very high1 Ų118.9 Ų18.91%0.0058%0.084CC..Hα-helixtrans-56.6-45.9177.5177.163.4000112.8V108 L109 R110 A114 L115 R116 Y198 Q202V108-H112 WeakPolarHBondContact O-CB 3.48Å; V108-H112 PolarHBondContact O-N 2.81Å; L109-H112 PolarHBondContact O-N 3.1Å; R110-H112 VanDerWaalsContact C-N 3.34Å; H112-A114 VanDerWaalsContact C-N 3.34Å; H112-A114 PolarHBondContact O-N 3.07Å; H112-L115 WeakPolarHBondContact O-CB 3.4Å; H112-L115 PolarHBondContact O-N 3.38Å; H112-R116 PolarHBondContact O-N 3.45Å; H112-Y198 AromaticContact CE1-CD2 3.11Å; H112-Y198 WeakPolarHBondContact CE1-CD2 3.45Å; H112-Y198 AromaticContact CE1-CE2 3.07Å; H112-Y198 WeakPolarHBondContact CE1-CE2 3.34Å; H112-Y198 AromaticContact CE1-CG 3.88Å; H112-Y198 AromaticContact CE1-CZ 3.86Å; H112-Y198 PolarHBondContact CE1-O 3.35Å; H112-Y198 VanDerWaalsContact CE1-O 3.28Å; H112-Y198 AromaticContact ND1-CD2 3.47Å; H112-Y198 WeakPolarHBondContact ND1-CD2 3.37Å; H112-Y198 AromaticContact ND1-CE2 3.68Å; H112-Y198 AromaticContact NE2-CD2 3.9Å; H112-Y198 AromaticContact NE2-CE2 3.35Å; H112-Y198 WeakPolarHBondContact NE2-CE2 3.49Å; H112-Y198 AromaticContact NE2-CZ 3.91Å; H112-Q202 PolarHBondContact CE1-N 3.14Å; H112-Q202 PolarHBondContact NE2-OE1 3.3Å
113R97.5Very high96.8Very high24 Ų2417.7 Ų17.79%0.0918%0.079CC..Hα-helixtrans-61.3-40.8173.9-71.3166.2175.7175.2-1.7112L109 R110 L111 L115 R116 W117 L146 Y149 L211L109-R113 VanDerWaalsContact O-CG 3.27Å; L109-R113 WeakPolarHBondContact O-CG 3.43Å; L109-R113 PolarHBondContact O-N 3.3Å; R110-R113 PolarHBondContact O-N 2.88Å; L111-R113 PolarHBondContact O-N 3.4Å; R113-L115 VanDerWaalsContact C-N 3.34Å; R113-R116 WeakPolarHBondContact O-CB 3.41Å; R113-R116 PolarHBondContact O-N 3.49Å; R113-W117 PolarHBondContact O-N 2.81Å; R113-L146 HydrophobicContact CB-CD1 3.75Å; R113-Y149 HydrophobicContact CB-CD2 4.29Å; R113-Y149 HydrophobicContact CB-CE2 4.3Å; R113-Y149 HydrophobicContact CG-CD2 4.02Å; R113-Y149 HydrophobicContact CG-CE2 3.77Å; R113-Y149 VanDerWaalsContact CZ-CE1 3.45Å; R113-Y149 VanDerWaalsContact NE-CE1 3.31Å; R113-L211 PolarHBondContact NH2-O 3.04Å
114A95.4Very high96.7Very high12 Ų1218.3 Ų18.310%0.0999%0.087CC..Hα-helixtrans-68-32.9175.400000112.5W36 R110 L111 H112 R116 W117 L118W36-A114 HydrophobicContact CH2-CB 3.76Å; W36-A114 HydrophobicContact CZ2-CB 4.46Å; R110-A114 PolarHBondContact O-N 3.03Å; L111-A114 CarbonylContact O-C 3.41Å; L111-A114 WeakPolarHBondContact O-CA 3.29Å; L111-A114 WeakPolarHBondContact O-CB 3.27Å; L111-A114 PolarHBondContact O-N 2.98Å; H112-A114 VanDerWaalsContact C-N 3.34Å; H112-A114 PolarHBondContact O-N 3.07Å; A114-R116 VanDerWaalsContact C-N 3.29Å; A114-R116 PolarHBondContact O-N 2.76Å; A114-W117 PolarHBondContact O-N 2.85Å; A114-L118 PolarHBondContact O-N 3.39Å
115L95.3Very high96.6Very high0 Ų018.3 Ų18.30%09%0.087CC..Hα-helixtrans-61.1-40.7175-162.359000111.1F17 Y32 W36 L111 H112 R113 W117 L118 Q119 I194 V197F17-L115 HydrophobicContact CE1-CD1 3.81Å; F17-L115 HydrophobicContact CE1-CD2 4.23Å; F17-L115 HydrophobicContact CZ-CD1 3.78Å; Y32-L115 HydrophobicContact CE2-CD2 4.28Å; W36-L115 HydrophobicContact CH2-CB 4.46Å; W36-L115 HydrophobicContact CH2-CD1 4.46Å; W36-L115 HydrophobicContact CZ2-CB 3.81Å; W36-L115 HydrophobicContact CZ2-CD1 3.89Å; W36-L115 HydrophobicContact CZ2-CG 4.39Å; L111-L115 PolarHBondContact O-N 3.46Å; H112-L115 WeakPolarHBondContact O-CB 3.4Å; H112-L115 PolarHBondContact O-N 3.38Å; R113-L115 VanDerWaalsContact C-N 3.34Å; L115-W117 PolarHBondContact O-N 3.04Å; L115-L118 HydrophobicContact CD1-CD2 4.49Å; L115-L118 PolarHBondContact O-N 3.18Å; L115-Q119 PolarHBondContact O-N 2.88Å; L115-I194 HydrophobicContact CD1-CG2 3.82Å; L115-I194 HydrophobicContact CD2-CG2 4.25Å; L115-I194 HydrophobicContact CG-CG2 3.81Å; L115-V197 HydrophobicContact CD2-CG1 4.44Å
116R96.8Very high96.5Very high77 Ų7722.1 Ų22.129%0.29110%0.101SC..Hα-helixtrans-60.3-46.8176.4-174.750.3176.4178.80.1112.1H112 R113 A114 L118 Q119 L120 Y198H112-R116 PolarHBondContact O-N 3.45Å; R113-R116 WeakPolarHBondContact O-CB 3.41Å; R113-R116 PolarHBondContact O-N 3.49Å; A114-R116 VanDerWaalsContact C-N 3.29Å; A114-R116 PolarHBondContact O-N 2.76Å; R116-L118 VanDerWaalsContact C-N 3.33Å; R116-L118 PolarHBondContact O-N 3.05Å; R116-Q119 PolarHBondContact O-N 3.06Å; R116-L120 HydrophobicContact CG-CD1 4.32Å; R116-L120 WeakPolarHBondContact O-CG 3.33Å; R116-L120 PolarHBondContact O-N 3.06Å; R116-Y198 HydrophobicContact CB-CD2 4.17Å; R116-Y198 HydrophobicContact CB-CE2 3.51Å; R116-Y198 HydrophobicContact CG-CE2 4.09Å
117W95.3Very high96.4Very high29 Ų2925.1 Ų25.111%0.1112%0.122CC..Hα-helixtrans-58.6-47.6176.816366.3000111.3R113 A114 L115 Q119 L120 F121 C138 S145 L146 F162R113-W117 PolarHBondContact O-N 2.81Å; A114-W117 PolarHBondContact O-N 2.85Å; L115-W117 PolarHBondContact O-N 3.04Å; W117-Q119 VanDerWaalsContact C-N 3.34Å; W117-Q119 PolarHBondContact O-N 3.32Å; W117-L120 PolarHBondContact O-N 3.41Å; W117-F121 WeakPolarHBondContact O-CB 3.23Å; W117-F121 PolarHBondContact O-N 3.13Å; W117-C138 VanDerWaalsContact CZ2-SG 3.52Å; W117-S145 WeakPolarHBondContact CA-OG 3.36Å; W117-S145 WeakPolarHBondContact CB-OG 3.27Å; W117-L146 HydrophobicContact CB-CB 4.08Å; W117-F162 HydrophobicContact CZ2-CE1 4.06Å; W117-F162 HydrophobicContact CZ2-CZ 4.12Å
118L92.6Very high96.3Very high9 Ų925.6 Ų25.65%0.04713%0.125CC..Hα-helixtrans-59.4-45.1178.1177.667.2000111.8L39 A114 L115 R116 L120 F121 L122L39-L118 HydrophobicContact CD1-CD2 3.38Å; L39-L118 HydrophobicContact CD2-CD2 3.62Å; L39-L118 HydrophobicContact CG-CD2 4.08Å; A114-L118 PolarHBondContact O-N 3.39Å; L115-L118 HydrophobicContact CD1-CD2 4.49Å; L115-L118 PolarHBondContact O-N 3.18Å; R116-L118 VanDerWaalsContact C-N 3.33Å; R116-L118 PolarHBondContact O-N 3.05Å; L118-L120 PolarHBondContact O-N 3.36Å; L118-F121 HydrophobicContact CD1-CD1 4.44Å; L118-F121 PolarHBondContact O-N 3.02Å; L118-L122 HydrophobicContact CD1-CD1 3.86Å; L118-L122 HydrophobicContact CD1-CD2 4.49Å; L118-L122 HydrophobicContact CD1-CG 3.92Å; L118-L122 HydrophobicContact CG-CD1 3.91Å; L118-L122 HydrophobicContact CG-CG 4.3Å; L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 VanDerWaalsContact O-CG 3.32Å; L118-L122 WeakPolarHBondContact O-CG 3.33Å; L118-L122 PolarHBondContact O-N 3.46Å
119Q94.1Very high96.2Very high15 Ų1529.7 Ų29.77%0.0715%0.152CC..Hα-helixtrans-56.9-50176.7-175.5-165.4-1.800110.9L115 R116 W117 F121 L122 E123 I194L115-Q119 PolarHBondContact O-N 2.88Å; R116-Q119 PolarHBondContact O-N 3.06Å; W117-Q119 VanDerWaalsContact C-N 3.34Å; W117-Q119 PolarHBondContact O-N 3.32Å; Q119-F121 PolarHBondContact O-N 2.94Å; Q119-L122 PolarHBondContact O-N 3.32Å; Q119-E123 VanDerWaalsContact O-CB 3.27Å; Q119-E123 WeakPolarHBondContact O-CB 3.08Å; Q119-E123 PolarHBondContact O-N 3.28Å; Q119-I194 HydrophobicContact CB-CG2 4.17Å; Q119-I194 HydrophobicContact CG-CG2 4.45Å
120L96.4Very high95.9Very high50 Ų5037.1 Ų37.126%0.26219%0.186SC..Hα-helixtrans-63.7-40.7179.6-68.5175.7000112.2R116 W117 L118 G124 A144R116-L120 HydrophobicContact CG-CD1 4.32Å; R116-L120 WeakPolarHBondContact O-CG 3.33Å; R116-L120 PolarHBondContact O-N 3.06Å; W117-L120 PolarHBondContact O-N 3.41Å; L118-L120 PolarHBondContact O-N 3.36Å; L120-G124 PolarHBondContact O-N 3.48Å; L120-A144 HydrophobicContact CD1-CB 4.41Å
121F95Very high95.7Very high8 Ų841.7 Ų41.74%0.03521%0.214CC..Hα-helixtrans-62.9-49.6177.8167.1-115.5000111.6W117 L118 Q119 E123 G124 L125 T134 L137 C138 S141 F171W117-F121 WeakPolarHBondContact O-CB 3.23Å; W117-F121 PolarHBondContact O-N 3.13Å; L118-F121 HydrophobicContact CD1-CD1 4.44Å; L118-F121 PolarHBondContact O-N 3.02Å; Q119-F121 PolarHBondContact O-N 2.94Å; F121-E123 VanDerWaalsContact C-N 3.34Å; F121-E123 PolarHBondContact O-N 3.47Å; F121-G124 PolarHBondContact O-N 3.36Å; F121-L125 WeakPolarHBondContact O-CB 3.47Å; F121-L125 PolarHBondContact O-N 3.33Å; F121-T134 HydrophobicContact CE2-CG2 3.89Å; F121-T134 HydrophobicContact CZ-CG2 3.81Å; F121-L137 HydrophobicContact CD2-CB 4.37Å; F121-L137 HydrophobicContact CE2-CB 4.33Å; F121-C138 HydrophobicContact CD2-CB 3.99Å; F121-C138 HydrophobicContact CE2-CB 3.97Å; F121-S141 WeakPolarHBondContact CB-OG 3.43Å; F121-F171 AromaticContact CE1-CE1 3.78Å; F121-F171 HydrophobicContact CE1-CE1 3.78Å; F121-F171 HydrophobicContact CE1-CE2 4.14Å; F121-F171 AromaticContact CE1-CZ 3.43Å; F121-F171 HydrophobicContact CE1-CZ 3.43Å; F121-F171 VanDerWaalsContact CE1-CZ 3.43Å; F121-F171 HydrophobicContact CZ-CD1 4.45Å; F121-F171 HydrophobicContact CZ-CD2 4.49Å; F121-F171 AromaticContact CZ-CE1 3.87Å; F121-F171 HydrophobicContact CZ-CE1 3.87Å; F121-F171 AromaticContact CZ-CE2 3.88Å; F121-F171 HydrophobicContact CZ-CE2 3.88Å; F121-F171 AromaticContact CZ-CZ 3.57Å; F121-F171 HydrophobicContact CZ-CZ 3.57Å
122L94.3Very high95.7Very high1 Ų142.7 Ų42.71%0.00522%0.223CC..Hα-helixtrans-66.6-36.1-179.8-70.5179.5000112.1L14 L118 Q119 L125 R126 M175 L187 L191L14-L122 HydrophobicContact CD1-CD1 4.48Å; L14-L122 HydrophobicContact CD2-CD1 3.98Å; L118-L122 HydrophobicContact CD1-CD1 3.86Å; L118-L122 HydrophobicContact CD1-CD2 4.49Å; L118-L122 HydrophobicContact CD1-CG 3.92Å; L118-L122 HydrophobicContact CG-CD1 3.91Å; L118-L122 HydrophobicContact CG-CG 4.3Å; L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 VanDerWaalsContact O-CG 3.32Å; L118-L122 WeakPolarHBondContact O-CG 3.33Å; L118-L122 PolarHBondContact O-N 3.46Å; Q119-L122 PolarHBondContact O-N 3.32Å; L122-L125 WeakPolarHBondContact O-CB 3.48Å; L122-L125 PolarHBondContact O-N 2.96Å; L122-R126 WeakPolarHBondContact O-CB 3.42Å; L122-R126 PolarHBondContact O-N 3.32Å; L122-M175 HydrophobicContact CD2-CE 4.11Å; L122-L187 HydrophobicContact CB-CD2 4.38Å; L122-L187 HydrophobicContact CD1-CD2 4.41Å; L122-L187 HydrophobicContact CD2-CD2 4.08Å; L122-L191 HydrophobicContact CB-CD1 4.28Å; L122-L191 HydrophobicContact CB-CD2 3.73Å; L122-L191 HydrophobicContact CB-CG 4.49Å; L122-L191 HydrophobicContact CD1-CD2 3.99Å
123E96.7Very high95.6Very high67 Ų6750.4 Ų50.431%0.31325%0.252SS..Hα-helixtrans-66.8-41173.7-177.559-162.600111.8Q119 F121 L125 R126 T127 L191Q119-E123 VanDerWaalsContact O-CB 3.27Å; Q119-E123 WeakPolarHBondContact O-CB 3.08Å; Q119-E123 PolarHBondContact O-N 3.28Å; F121-E123 VanDerWaalsContact C-N 3.34Å; F121-E123 PolarHBondContact O-N 3.47Å; E123-L125 VanDerWaalsContact C-N 3.33Å; E123-L125 PolarHBondContact O-N 3.04Å; E123-R126 WeakPolarHBondContact O-CB 3.36Å; E123-R126 PolarHBondContact O-N 3.47Å; E123-R126 IonicContact OE1-CZ 3.45Å; E123-R126 IonicContact OE1-NE 3.51Å; E123-R126 PolarHBondContact OE1-NE 3.26Å; E123-R126 IonicContact OE1-NH2 3.89Å; E123-R126 PolarHBondContact OE1-NH2 3.09Å; E123-R126 IonicContact OE2-CZ 2.8Å; E123-R126 IonicContact OE2-NE 3.92Å; E123-R126 PolarHBondContact OE2-NE 3.43Å; E123-R126 IonicContact OE2-NH2 2.72Å; E123-T127 PolarHBondContact O-N 3.05Å; E123-T127 PolarHBondContact O-OG1 2.73Å; E123-L191 HydrophobicContact CB-CD1 4.19Å; E123-L191 VanDerWaalsContact OE2-CD1 3.28Å; E123-L191 WeakPolarHBondContact OE2-CD1 3.49Å
124G97.1Very high95.4Very high21 Ų2149.3 Ų49.322%0.21625%0.248CC..Hα-helixtrans-60.9-42.3171.400000111.9L120 F121 T127 S128L120-G124 PolarHBondContact O-N 3.48Å; F121-G124 PolarHBondContact O-N 3.36Å; G124-T127 PolarHBondContact O-N 3.06Å; G124-S128 WeakPolarHBondContact O-CA 2.97Å; G124-S128 WeakPolarHBondContact O-CB 3.34Å; G124-S128 PolarHBondContact O-N 3.26Å; G124-S128 PolarHBondContact O-OG 3.46Å
125L94.9Very high95.3Very high0 Ų049.7 Ų49.70%025%0.25CC..Hα-helixtrans-62.1-45.3175.5-166.172.9000111.7F121 L122 E123 T127 S128 L137 R168 F171 L172 M175 L187F121-L125 WeakPolarHBondContact O-CB 3.47Å; F121-L125 PolarHBondContact O-N 3.33Å; L122-L125 WeakPolarHBondContact O-CB 3.48Å; L122-L125 PolarHBondContact O-N 2.96Å; E123-L125 VanDerWaalsContact C-N 3.33Å; E123-L125 PolarHBondContact O-N 3.04Å; L125-T127 VanDerWaalsContact C-N 3.31Å; L125-T127 PolarHBondContact O-N 2.82Å; L125-S128 PolarHBondContact O-OG 3.43Å; L125-L137 HydrophobicContact CD1-CD1 3.89Å; L125-R168 HydrophobicContact CD1-CG 3.92Å; L125-F171 HydrophobicContact CD2-CD1 3.51Å; L125-F171 HydrophobicContact CD2-CE1 3.85Å; L125-L172 HydrophobicContact CD2-CD2 3.56Å; L125-L172 HydrophobicContact CD2-CG 4.1Å; L125-L172 HydrophobicContact CG-CD2 3.9Å; L125-L172 HydrophobicContact CG-CG 4.28Å; L125-M175 HydrophobicContact CD2-CE 3.5Å; L125-M175 VanDerWaalsContact CD2-CE 3.5Å; L125-L187 HydrophobicContact CD2-CD1 4.3Å
126R96.3Very high95.4Very high80 Ų8052 Ų5230%0.30226%0.264SS..Hα-helixtrans-58.9-39.3178.4-169.7-172.172.177.2-2.8112.8L122 E123 V184 L187L122-R126 WeakPolarHBondContact O-CB 3.42Å; L122-R126 PolarHBondContact O-N 3.32Å; E123-R126 WeakPolarHBondContact O-CB 3.36Å; E123-R126 PolarHBondContact O-N 3.47Å; E123-R126 IonicContact OE1-CZ 3.45Å; E123-R126 IonicContact OE1-NE 3.51Å; E123-R126 PolarHBondContact OE1-NE 3.26Å; E123-R126 IonicContact OE1-NH2 3.89Å; E123-R126 PolarHBondContact OE1-NH2 3.09Å; E123-R126 IonicContact OE2-CZ 2.8Å; E123-R126 IonicContact OE2-NE 3.92Å; E123-R126 PolarHBondContact OE2-NE 3.43Å; E123-R126 IonicContact OE2-NH2 2.72Å; R126-V184 HydrophobicContact CG-CG1 3.83Å; R126-V184 WeakPolarHBondContact O-CG1 3.32Å; R126-L187 HydrophobicContact CB-CB 4.25Å; R126-L187 HydrophobicContact CB-CD1 4.18Å; R126-L187 HydrophobicContact CG-CB 4.09Å
127T96.9Very high95.4Very high85 Ų8549.8 Ų49.852%0.52126%0.257SS..Hα-helixtrans-100.5-7.3-172.856.10000114E123 G124 L125E123-T127 PolarHBondContact O-N 3.05Å; E123-T127 PolarHBondContact O-OG1 2.73Å; G124-T127 PolarHBondContact O-N 3.06Å; L125-T127 VanDerWaalsContact C-N 3.31Å; L125-T127 PolarHBondContact O-N 2.82Å
128S96.8Very high95.3Very high13 Ų1348.5 Ų48.59%0.09125%0.253CS..SBendtrans-72.3148.9-178.159.80000114G124 L125 R168G124-S128 WeakPolarHBondContact O-CA 2.97Å; G124-S128 WeakPolarHBondContact O-CB 3.34Å; G124-S128 PolarHBondContact O-N 3.26Å; G124-S128 PolarHBondContact O-OG 3.46Å; L125-S128 PolarHBondContact O-OG 3.43Å; S128-R168 PolarHBondContact O-NE 3.22Å; S128-R168 PolarHBondContact O-NH2 2.78Å; S128-R168 VanDerWaalsContact O-NH2 3.1Å; S128-R168 WeakPolarHBondContact OG-CD 3.15Å; S128-R168 PolarHBondContact OG-NE 3.22Å
129P95.9Very high95.4Very high85 Ų8549.3 Ų49.355%0.55226%0.258SS*.  trans-57.2159.8166.9-24.534.7000113.4D131 A132 R168P129-D131 VanDerWaalsContact C-N 3.29Å; P129-D131 VanDerWaalsContact CB-OD1 3.31Å; P129-D131 WeakPolarHBondContact CB-OD1 3.49Å; P129-D131 PolarHBondContact O-N 3.37Å; P129-A132 VanDerWaalsContact O-CB 3.23Å; P129-A132 WeakPolarHBondContact O-CB 3.25Å; P129-A132 PolarHBondContact O-N 2.88Å; P129-A132 VanDerWaalsContact O-N 3.16Å; P129-R168 WeakPolarHBondContact O-CD 3.2Å; P129-R168 PolarHBondContact O-NE 2.73Å
130E93.1Very high95.5Very high157 Ų15753 Ų5373%0.73428%0.278SS*.THydrogen-bonded Turntrans-61.7-34.1-178.2-69.4-178.7-167.300114A132E130-A132 VanDerWaalsContact C-N 3.3Å
131D93.9Very high95.5Very high141 Ų14151 Ų5175%0.75427%0.269SS*.THydrogen-bonded Turntrans-85.50.9-179.569.3-31.6000113.6P129P129-D131 VanDerWaalsContact C-N 3.29Å; P129-D131 VanDerWaalsContact CB-OD1 3.31Å; P129-D131 WeakPolarHBondContact CB-OD1 3.49Å; P129-D131 PolarHBondContact O-N 3.37Å
132A96.8Very high95.6Very high22 Ų2250.7 Ų50.718%0.18227%0.268CS..  trans-62.8144178.200000111.9P129 E130 L137 R168P129-A132 VanDerWaalsContact O-CB 3.23Å; P129-A132 WeakPolarHBondContact O-CB 3.25Å; P129-A132 PolarHBondContact O-N 2.88Å; P129-A132 VanDerWaalsContact O-N 3.16Å; E130-A132 VanDerWaalsContact C-N 3.3Å; A132-L137 HydrophobicContact CB-CD1 4.3Å; A132-R168 VanDerWaalsContact O-CB 3.29Å; A132-R168 WeakPolarHBondContact O-CB 3.21Å
133R96.1Very high95.7Very high163 Ų16354.9 Ų54.962%0.61529%0.29SS*.  trans-92.4122.7178.8-64.1-176.2-65.4171.9-0.1110.2S135 V136 L137R133-S135 PolarHBondContact O-N 3.21Å; R133-S135 VanDerWaalsContact O-N 3.16Å; R133-V136 HydrophobicContact CB-CB 4.3Å; R133-V136 HydrophobicContact CB-CG2 3.94Å; R133-V136 WeakPolarHBondContact O-CB 3.39Å; R133-V136 PolarHBondContact O-N 3.1Å; R133-L137 PolarHBondContact O-N 3.13Å; R133-L137 VanDerWaalsContact O-N 3.11Å
134T93.9Very high95.7Very high1 Ų155.5 Ų55.51%0.00631%0.306CS..Hα-helixtrans-53.2-37.6176.1-41.80000112.2F121 V136 L137 C138 L165 P166 T167 R168 F171F121-T134 HydrophobicContact CE2-CG2 3.89Å; F121-T134 HydrophobicContact CZ-CG2 3.81Å; T134-V136 VanDerWaalsContact C-N 3.33Å; T134-V136 PolarHBondContact O-N 3.22Å; T134-L137 PolarHBondContact O-N 2.92Å; T134-C138 WeakPolarHBondContact O-CB 3.45Å; T134-C138 PolarHBondContact O-N 2.89Å; T134-L165 HydrophobicContact CG2-CB 4.11Å; T134-L165 HydrophobicContact CG2-CD1 4.18Å; T134-L165 HydrophobicContact CG2-CD2 3.97Å; T134-L165 HydrophobicContact CG2-CG 4.34Å; T134-P166 WeakPolarHBondContact CB-O 3.5Å; T134-P166 PolarHBondContact OG1-O 3.05Å; T134-T167 PolarHBondContact OG1-O 3.13Å; T134-R168 WeakPolarHBondContact OG1-CA 3.38Å; T134-R168 PolarHBondContact OG1-N 3.45Å; T134-F171 HydrophobicContact CG2-CB 4.32Å; T134-F171 HydrophobicContact CG2-CD2 3.68Å; T134-F171 HydrophobicContact CG2-CE2 4.19Å; T134-F171 HydrophobicContact CG2-CG 4.03Å
135S93.9Very high95.6Very high20 Ų2055.2 Ų55.214%0.1430%0.301CS..Hα-helixtrans-60.6-39.3176.656.80000113.2R133 T139 F162R133-S135 PolarHBondContact O-N 3.21Å; R133-S135 VanDerWaalsContact O-N 3.16Å; S135-T139 WeakPolarHBondContact O-CB 3.47Å; S135-T139 PolarHBondContact O-N 3.07Å; S135-T139 PolarHBondContact O-OG1 3.41Å; S135-F162 WeakPolarHBondContact CB-O 3.33Å
136V96.1Very high95.6Very high49 Ų4956.2 Ų56.230%0.29731%0.306SS..Hα-helixtrans-69.8-50.4176.5176.10000110R133 T134 C138 T139 D140R133-V136 HydrophobicContact CB-CB 4.3Å; R133-V136 HydrophobicContact CB-CG2 3.94Å; R133-V136 WeakPolarHBondContact O-CB 3.39Å; R133-V136 PolarHBondContact O-N 3.1Å; T134-V136 VanDerWaalsContact C-N 3.33Å; T134-V136 PolarHBondContact O-N 3.22Å; V136-C138 PolarHBondContact O-N 2.72Å; V136-T139 PolarHBondContact O-N 3.04Å; V136-D140 WeakPolarHBondContact CG1-OD2 3.38Å; V136-D140 WeakPolarHBondContact O-CB 3.32Å; V136-D140 VanDerWaalsContact O-CG 3.27Å; V136-D140 PolarHBondContact O-N 3.04Å
137L96.6Very high95.5Very high29 Ų2952.6 Ų52.615%0.15229%0.294CS..Hα-helixtrans-55.8-40177.8-60.6175.1000112.1F121 L125 A132 R133 T134 S141F121-L137 HydrophobicContact CD2-CB 4.37Å; F121-L137 HydrophobicContact CE2-CB 4.33Å; L125-L137 HydrophobicContact CD1-CD1 3.89Å; A132-L137 HydrophobicContact CB-CD1 4.3Å; R133-L137 PolarHBondContact O-N 3.13Å; R133-L137 VanDerWaalsContact O-N 3.11Å; T134-L137 PolarHBondContact O-N 2.92Å; L137-S141 WeakPolarHBondContact O-CB 3.37Å; L137-S141 PolarHBondContact O-N 3.4Å; L137-S141 VanDerWaalsContact O-N 3.09Å; L137-S141 PolarHBondContact O-OG 2.84Å
138C93.3Very high95.5Very high3 Ų352 Ų522%0.0230%0.298CS..Hα-helixtrans-71.1-39.3178.4-158.10000112.5W117 F121 T134 V136 S141 Y142 F162 L165W117-C138 VanDerWaalsContact CZ2-SG 3.52Å; F121-C138 HydrophobicContact CD2-CB 3.99Å; F121-C138 HydrophobicContact CE2-CB 3.97Å; T134-C138 WeakPolarHBondContact O-CB 3.45Å; T134-C138 PolarHBondContact O-N 2.89Å; V136-C138 PolarHBondContact O-N 2.72Å; C138-S141 WeakPolarHBondContact CA-OG 3.32Å; C138-S141 PolarHBondContact O-OG 3.39Å; C138-Y142 WeakPolarHBondContact O-CB 3.15Å; C138-Y142 PolarHBondContact O-N 2.66Å; C138-F162 HydrophobicContact CB-CD1 4.21Å; C138-F162 HydrophobicContact CB-CD2 4.33Å; C138-F162 HydrophobicContact CB-CE1 4.45Å; C138-F162 HydrophobicContact CB-CG 4.14Å; C138-F162 WeakPolarHBondContact SG-CD1 3.49Å; C138-F162 WeakPolarHBondContact SG-CE1 3.48Å; C138-F162 VanDerWaalsContact SG-CZ 3.59Å; C138-L165 HydrophobicContact CB-CD1 3.42Å; C138-L165 VanDerWaalsContact CB-CD1 3.42Å
139T94.9Very high95.3Very high26 Ų2656.9 Ų56.916%0.1632%0.315CS..Hα-helixtrans-65.7-44.9175.3-59.70000111.6S135 V136 Y142 N143 T159S135-T139 WeakPolarHBondContact O-CB 3.47Å; S135-T139 PolarHBondContact O-N 3.07Å; S135-T139 PolarHBondContact O-OG1 3.41Å; V136-T139 PolarHBondContact O-N 3.04Å; T139-Y142 PolarHBondContact O-N 3.47Å; T139-N143 WeakPolarHBondContact CG2-ND2 3.29Å; T139-N143 WeakPolarHBondContact O-CB 2.89Å; T139-N143 VanDerWaalsContact O-CG 3.28Å; T139-N143 PolarHBondContact O-N 2.95Å; T139-N143 PolarHBondContact O-ND2 3.12Å; T139-T159 HydrophobicContact CG2-CG2 4.37Å
140D97.3Very high95.2Very high91 Ų9155.1 Ų55.149%0.48730%0.299SS..Hα-helixtrans-66.6-48.5-177.6-67.6-14.7000110.9V136 Y142 N143 A144V136-D140 WeakPolarHBondContact CG1-OD2 3.38Å; V136-D140 WeakPolarHBondContact O-CB 3.32Å; V136-D140 VanDerWaalsContact O-CG 3.27Å; V136-D140 PolarHBondContact O-N 3.04Å; D140-Y142 VanDerWaalsContact C-N 3.3Å; D140-Y142 PolarHBondContact O-N 3.19Å; D140-N143 PolarHBondContact O-N 3.19Å; D140-A144 VanDerWaalsContact O-CB 3.31Å; D140-A144 WeakPolarHBondContact O-CB 3.32Å; D140-A144 PolarHBondContact O-N 3.46Å
141S96.7Very high95.2Very high9 Ų951.6 Ų51.66%0.06329%0.289CS..Hα-helixtrans-60.2-39.2174.8530000112.3F121 L137 C138 S145F121-S141 WeakPolarHBondContact CB-OG 3.43Å; L137-S141 WeakPolarHBondContact O-CB 3.37Å; L137-S141 PolarHBondContact O-N 3.4Å; L137-S141 VanDerWaalsContact O-N 3.09Å; L137-S141 PolarHBondContact O-OG 2.84Å; C138-S141 WeakPolarHBondContact CA-OG 3.32Å; C138-S141 PolarHBondContact O-OG 3.39Å; S141-S145 PolarHBondContact O-N 3.45Å; S141-S145 PolarHBondContact O-OG 3.06Å
142Y95.4Very high95.1Very high2 Ų252.3 Ų52.31%0.00828%0.282CS..Hα-helixtrans-64.7-48176.8174.5-102.2000112C138 T139 D140 A144 S145 L146 A147 H150 R155 V158 F162C138-Y142 WeakPolarHBondContact O-CB 3.15Å; C138-Y142 PolarHBondContact O-N 2.66Å; T139-Y142 PolarHBondContact O-N 3.47Å; D140-Y142 VanDerWaalsContact C-N 3.3Å; D140-Y142 PolarHBondContact O-N 3.19Å; Y142-A144 VanDerWaalsContact C-N 3.29Å; Y142-A144 PolarHBondContact O-N 3.22Å; Y142-S145 CarbonylContact O-C 3.46Å; Y142-S145 PolarHBondContact O-N 3.05Å; Y142-S145 VanDerWaalsContact O-N 3.11Å; Y142-L146 HydrophobicContact CD2-CB 3.88Å; Y142-L146 HydrophobicContact CD2-CD2 4.39Å; Y142-L146 HydrophobicContact CE2-CB 3.93Å; Y142-L146 HydrophobicContact CE2-CD2 4.18Å; Y142-L146 HydrophobicContact CE2-CG 4.17Å; Y142-L146 PolarHBondContact O-N 2.9Å; Y142-L146 VanDerWaalsContact O-N 3.13Å; Y142-A147 HydrophobicContact CD1-CB 3.9Å; Y142-A147 HydrophobicContact CE1-CB 3.61Å; Y142-A147 VanDerWaalsContact O-CB 3.29Å; Y142-A147 WeakPolarHBondContact O-CB 3.36Å; Y142-A147 PolarHBondContact O-N 3.38Å; Y142-H150 AromaticContact CE2-ND1 3.52Å; Y142-H150 AromaticContact CZ-ND1 3.59Å; Y142-H150 WeakPolarHBondContact OH-CB 3.37Å; Y142-H150 PolarHBondContact OH-ND1 2.87Å; Y142-R155 HydrophobicContact CE1-CB 4.25Å; Y142-R155 HydrophobicContact CE1-CG 4.3Å; Y142-R155 WeakPolarHBondContact OH-CA 3.29Å; Y142-V158 HydrophobicContact CD1-CG1 4.45Å; Y142-V158 HydrophobicContact CD2-CG1 4.01Å; Y142-V158 HydrophobicContact CE1-CG1 4.24Å; Y142-V158 HydrophobicContact CE2-CB 4.43Å; Y142-V158 HydrophobicContact CE2-CG1 3.8Å; Y142-V158 HydrophobicContact CG-CG1 4.34Å; Y142-F162 HydrophobicContact CD1-CE2 4.18Å; Y142-F162 HydrophobicContact CD2-CE2 4.49Å; Y142-F162 HydrophobicContact CD2-CZ 4.25Å; Y142-F162 AromaticContact CG-CE2 3.86Å; Y142-F162 HydrophobicContact CG-CE2 3.86Å; Y142-F162 HydrophobicContact CG-CZ 4.06Å
143N96.7Very high94.9Very high89 Ų8956.1 Ų56.148%0.47630%0.298SS..Hα-helixtrans-64.1-35178.5-73.5-27.8000112.4T139 D140 S145T139-N143 WeakPolarHBondContact CG2-ND2 3.29Å; T139-N143 WeakPolarHBondContact O-CB 2.89Å; T139-N143 VanDerWaalsContact O-CG 3.28Å; T139-N143 PolarHBondContact O-N 2.95Å; T139-N143 PolarHBondContact O-ND2 3.12Å; D140-N143 PolarHBondContact O-N 3.19Å; N143-S145 PolarHBondContact O-N 3.44Å
144A97.2Very high94.7Very high80 Ų8050.9 Ų50.966%0.66128%0.284SS*.THydrogen-bonded Turntrans-74.4-7.4175.900000114.1L120 D140 Y142L120-A144 HydrophobicContact CD1-CB 4.41Å; D140-A144 VanDerWaalsContact O-CB 3.31Å; D140-A144 WeakPolarHBondContact O-CB 3.32Å; D140-A144 PolarHBondContact O-N 3.46Å; Y142-A144 VanDerWaalsContact C-N 3.29Å; Y142-A144 PolarHBondContact O-N 3.22Å
145S95.9Very high94.6Very high15 Ų1555.7 Ų55.711%0.10530%0.302CS..THydrogen-bonded Turntrans-142-91.5-175.3600000113.2W117 S141 Y142 N143 A147 A148W117-S145 WeakPolarHBondContact CA-OG 3.36Å; W117-S145 WeakPolarHBondContact CB-OG 3.27Å; S141-S145 PolarHBondContact O-N 3.45Å; S141-S145 PolarHBondContact O-OG 3.06Å; Y142-S145 CarbonylContact O-C 3.46Å; Y142-S145 PolarHBondContact O-N 3.05Å; Y142-S145 VanDerWaalsContact O-N 3.11Å; N143-S145 PolarHBondContact O-N 3.44Å; S145-A147 PolarHBondContact O-N 3.4Å; S145-A148 WeakPolarHBondContact O-CB 3.36Å; S145-A148 PolarHBondContact O-N 3.4Å
146L93.9Very high94.4Very high21 Ų2161.6 Ų61.611%0.1132%0.321CS..G310 helixtrans-64.8-26.6-166.2-165.663.5000113.2R113 W117 Y142 A148 Y149R113-L146 HydrophobicContact CB-CD1 3.75Å; W117-L146 HydrophobicContact CB-CB 4.08Å; Y142-L146 HydrophobicContact CD2-CB 3.88Å; Y142-L146 HydrophobicContact CD2-CD2 4.39Å; Y142-L146 HydrophobicContact CE2-CB 3.93Å; Y142-L146 HydrophobicContact CE2-CD2 4.18Å; Y142-L146 HydrophobicContact CE2-CG 4.17Å; Y142-L146 PolarHBondContact O-N 2.9Å; Y142-L146 VanDerWaalsContact O-N 3.13Å; L146-A148 PolarHBondContact O-N 2.93Å; L146-A148 VanDerWaalsContact O-N 3.16Å; L146-Y149 HydrophobicContact CD1-CD2 4.46Å; L146-Y149 PolarHBondContact O-N 3.02Å
147A94.8Very high94Very high4 Ų462.5 Ų62.53%0.03333%0.327CS..G310 helixtrans-55.7-32.5177.200000113Y142 S145 Y149 H150 R155Y142-A147 HydrophobicContact CD1-CB 3.9Å; Y142-A147 HydrophobicContact CE1-CB 3.61Å; Y142-A147 VanDerWaalsContact O-CB 3.29Å; Y142-A147 WeakPolarHBondContact O-CB 3.36Å; Y142-A147 PolarHBondContact O-N 3.38Å; S145-A147 PolarHBondContact O-N 3.4Å; A147-Y149 PolarHBondContact O-N 3.07Å; A147-Y149 VanDerWaalsContact O-N 3.12Å; A147-H150 PolarHBondContact O-N 3.47Å; A147-R155 PolarHBondContact O-NE 3.22Å; A147-R155 PolarHBondContact O-NH2 3.03Å
148A95.8Very high93.6Very high73 Ų7362.3 Ų62.360%0.60333%0.327SS*.G310 helixtrans-56.7-29.4178.800000112.8S145 L146S145-A148 WeakPolarHBondContact O-CB 3.36Å; S145-A148 PolarHBondContact O-N 3.4Å; L146-A148 PolarHBondContact O-N 2.93Å; L146-A148 VanDerWaalsContact O-N 3.16Å
149Y94.1Very high93.3Very high115 Ų11563.9 Ų63.945%0.45134%0.337SS..G310 helixtrans-100.9-5.3-175.3-50.2-73.5000113.8R113 L146 A147R113-Y149 HydrophobicContact CB-CD2 4.29Å; R113-Y149 HydrophobicContact CB-CE2 4.3Å; R113-Y149 HydrophobicContact CG-CD2 4.02Å; R113-Y149 HydrophobicContact CG-CE2 3.77Å; R113-Y149 VanDerWaalsContact CZ-CE1 3.45Å; R113-Y149 VanDerWaalsContact NE-CE1 3.31Å; L146-Y149 HydrophobicContact CD1-CD2 4.46Å; L146-Y149 PolarHBondContact O-N 3.02Å; A147-Y149 PolarHBondContact O-N 3.07Å; A147-Y149 VanDerWaalsContact O-N 3.12Å
150H92.4Very high93Very high47 Ų4767.4 Ų67.422%0.21836%0.358CS..SBendtrans-100.6136.6-177.1-75172.2000111.5Y142 A147 V154 R155Y142-H150 AromaticContact CE2-ND1 3.52Å; Y142-H150 AromaticContact CZ-ND1 3.59Å; Y142-H150 WeakPolarHBondContact OH-CB 3.37Å; Y142-H150 PolarHBondContact OH-ND1 2.87Å; A147-H150 PolarHBondContact O-N 3.47Å; H150-V154 HydrophobicContact CB-CB 4.09Å; H150-V154 HydrophobicContact CB-CG1 3.92Å; H150-R155 HydrophobicContact CB-CG 3.99Å; H150-R155 PolarHBondContact O-NE 3.43Å; H150-R155 PolarHBondContact O-NH2 3.14Å; H150-R155 VanDerWaalsContact O-NH2 3.1Å
151P93.6Very high92.5Very high83 Ų8363.5 Ų63.554%0.53934%0.338SS..  trans-58.3153.3167.8-23.534000111.3I153 V154 R155P151-I153 HydrophobicContact CB-CG2 4.39Å; P151-I153 PolarHBondContact O-N 3.44Å; P151-I153 VanDerWaalsContact O-N 3.1Å; P151-V154 HydrophobicContact CG-CG2 4.48Å; P151-V154 WeakPolarHBondContact O-CB 3.49Å; P151-V154 PolarHBondContact O-N 3.27Å; P151-R155 PolarHBondContact O-N 3.38Å
152W92.9Very high92.2Very high156 Ų15663.2 Ų63.259%0.59134%0.336SS*.Hα-helixtrans-50.7-40.2-177.7173.793.2000113.7V154 R155 R156W152-V154 VanDerWaalsContact C-N 3.35Å; W152-V154 PolarHBondContact O-N 2.69Å; W152-R155 WeakPolarHBondContact O-CB 3.46Å; W152-R155 PolarHBondContact O-N 2.84Å; W152-R156 HydrophobicContact CD2-CG 4.46Å; W152-R156 VanDerWaalsContact CE2-NE 3.25Å; W152-R156 VanDerWaalsContact CH2-NH1 3.29Å; W152-R156 PolarHBondContact O-N 3.31Å; W152-R156 VanDerWaalsContact O-N 3.08Å
153I92.5Very high91.8Very high103 Ų10371.1 Ų71.153%0.52837%0.367SS..Hα-helixtrans-64.8-39.4179.7-170.960.7000112P151 R156 T157P151-I153 HydrophobicContact CB-CG2 4.39Å; P151-I153 PolarHBondContact O-N 3.44Å; P151-I153 VanDerWaalsContact O-N 3.1Å; I153-R156 PolarHBondContact O-N 2.79Å; I153-T157 PolarHBondContact O-N 3.44Å; I153-T157 VanDerWaalsContact O-N 3.15Å; I153-T157 PolarHBondContact O-OG1 3.29Å
154V90.4Very high91.4Very high53 Ų5369.7 Ų69.732%0.32137%0.367SS..Hα-helixtrans-66.4-42.8176176.50000110.2H150 P151 W152 R156 T157 V158H150-V154 HydrophobicContact CB-CB 4.09Å; H150-V154 HydrophobicContact CB-CG1 3.92Å; P151-V154 HydrophobicContact CG-CG2 4.48Å; P151-V154 WeakPolarHBondContact O-CB 3.49Å; P151-V154 PolarHBondContact O-N 3.27Å; W152-V154 VanDerWaalsContact C-N 3.35Å; W152-V154 PolarHBondContact O-N 2.69Å; V154-R156 VanDerWaalsContact C-N 3.28Å; V154-R156 PolarHBondContact O-N 3.4Å; V154-T157 PolarHBondContact O-N 3.48Å; V154-V158 HydrophobicContact CG1-CG2 4.15Å; V154-V158 WeakPolarHBondContact O-CB 3.41Å; V154-V158 WeakPolarHBondContact O-CG2 3.49Å; V154-V158 PolarHBondContact O-N 3.44Å
155R92.3Very high90.9Very high101 Ų10166.8 Ų66.838%0.38134%0.34SS..Hα-helixtrans-56.4-42.6176.1-58.4179.1-162.1-170.40111.9Y142 A147 H150 P151 W152 T159Y142-R155 HydrophobicContact CE1-CB 4.25Å; Y142-R155 HydrophobicContact CE1-CG 4.3Å; Y142-R155 WeakPolarHBondContact OH-CA 3.29Å; A147-R155 PolarHBondContact O-NE 3.22Å; A147-R155 PolarHBondContact O-NH2 3.03Å; H150-R155 HydrophobicContact CB-CG 3.99Å; H150-R155 PolarHBondContact O-NE 3.43Å; H150-R155 PolarHBondContact O-NH2 3.14Å; H150-R155 VanDerWaalsContact O-NH2 3.1Å; P151-R155 PolarHBondContact O-N 3.38Å; W152-R155 WeakPolarHBondContact O-CB 3.46Å; W152-R155 PolarHBondContact O-N 2.84Å; R155-T159 WeakPolarHBondContact O-CB 3.47Å; R155-T159 PolarHBondContact O-N 3.05Å; R155-T159 PolarHBondContact O-OG1 3.46Å
156R90.4Very high90.6Very high144 Ų14467.7 Ų67.754%0.54335%0.346SS..Hα-helixtrans-63.2-50.5177.1-75.2-168.7163.8-162.6-0.7112.2W152 I153 V154 V158 T159 V160W152-R156 HydrophobicContact CD2-CG 4.46Å; W152-R156 VanDerWaalsContact CE2-NE 3.25Å; W152-R156 VanDerWaalsContact CH2-NH1 3.29Å; W152-R156 PolarHBondContact O-N 3.31Å; W152-R156 VanDerWaalsContact O-N 3.08Å; I153-R156 PolarHBondContact O-N 2.79Å; V154-R156 VanDerWaalsContact C-N 3.28Å; V154-R156 PolarHBondContact O-N 3.4Å; R156-V158 VanDerWaalsContact C-N 3.33Å; R156-V158 PolarHBondContact O-N 3.37Å; R156-T159 PolarHBondContact O-N 3.33Å; R156-V160 WeakPolarHBondContact O-CG2 3.46Å; R156-V160 PolarHBondContact O-N 2.78Å
157T87.9Confident90.6Very high69 Ų6971 Ų7142%0.42337%0.367SS..Hα-helixtrans-60-43.9-179.9-57.10000111.9F52 I153 V154 V160 A161F52-T157 HydrophobicContact CE1-CG2 4.28Å; I153-T157 PolarHBondContact O-N 3.44Å; I153-T157 VanDerWaalsContact O-N 3.15Å; I153-T157 PolarHBondContact O-OG1 3.29Å; V154-T157 PolarHBondContact O-N 3.48Å; T157-V160 PolarHBondContact O-N 3.43Å; T157-A161 PolarHBondContact O-N 3.02Å
158V87.1Confident90.6Very high25 Ų2571.9 Ų71.915%0.15237%0.37CS..Hα-helixtrans-63.8-44.3178171.20000111.3Y142 V154 R156 V160 A161 F162Y142-V158 HydrophobicContact CD1-CG1 4.45Å; Y142-V158 HydrophobicContact CD2-CG1 4.01Å; Y142-V158 HydrophobicContact CE1-CG1 4.24Å; Y142-V158 HydrophobicContact CE2-CB 4.43Å; Y142-V158 HydrophobicContact CE2-CG1 3.8Å; Y142-V158 HydrophobicContact CG-CG1 4.34Å; V154-V158 HydrophobicContact CG1-CG2 4.15Å; V154-V158 WeakPolarHBondContact O-CB 3.41Å; V154-V158 WeakPolarHBondContact O-CG2 3.49Å; V154-V158 PolarHBondContact O-N 3.44Å; R156-V158 VanDerWaalsContact C-N 3.33Å; R156-V158 PolarHBondContact O-N 3.37Å; V158-V160 VanDerWaalsContact C-N 3.31Å; V158-V160 PolarHBondContact O-N 3.4Å; V158-A161 WeakPolarHBondContact O-CB 3.36Å; V158-A161 PolarHBondContact O-N 3.23Å; V158-A161 VanDerWaalsContact O-N 3.1Å; V158-F162 HydrophobicContact CG1-CD2 4.44Å; V158-F162 HydrophobicContact CG1-CE1 3.75Å; V158-F162 HydrophobicContact CG1-CE2 3.64Å; V158-F162 HydrophobicContact CG1-CZ 3.24Å; V158-F162 WeakPolarHBondContact O-CG 3.41Å; V158-F162 PolarHBondContact O-N 2.86Å; V158-F162 VanDerWaalsContact O-N 3.14Å
159T87.6Confident90.5Very high35 Ų3574.3 Ų74.322%0.21537%0.367CS..Hα-helixtrans-62.2-39177.9-53.30000111.7T139 R155 R156 A161 F162 Y163T139-T159 HydrophobicContact CG2-CG2 4.37Å; R155-T159 WeakPolarHBondContact O-CB 3.47Å; R155-T159 PolarHBondContact O-N 3.05Å; R155-T159 PolarHBondContact O-OG1 3.46Å; R156-T159 PolarHBondContact O-N 3.33Å; T159-A161 VanDerWaalsContact C-N 3.33Å; T159-A161 PolarHBondContact O-N 3.32Å; T159-F162 PolarHBondContact O-N 2.9Å; T159-Y163 WeakPolarHBondContact O-CD2 3.43Å
160V88.9Confident90.3Very high101 Ų10172.2 Ų72.261%0.61237%0.366SS*.Hα-helixtrans-62-42.5174.3171.10000111R156 T157 V158 F162 Y163R156-V160 WeakPolarHBondContact O-CG2 3.46Å; R156-V160 PolarHBondContact O-N 2.78Å; T157-V160 PolarHBondContact O-N 3.43Å; V158-V160 VanDerWaalsContact C-N 3.31Å; V158-V160 PolarHBondContact O-N 3.4Å; V160-F162 PolarHBondContact O-N 3.46Å; V160-Y163 PolarHBondContact O-N 3.01Å
161A86.2Confident90.3Very high8 Ų870.1 Ų70.17%0.06636%0.356CS..Hα-helixtrans-62.8-30.717900000112.8I49 I53 T157 V158 T159 Y163 A164I49-A161 HydrophobicContact CD1-CB 4.17Å; I49-A161 HydrophobicContact CG1-CB 3.95Å; I53-A161 HydrophobicContact CD1-CB 3.92Å; I53-A161 HydrophobicContact CG1-CB 4.46Å; T157-A161 PolarHBondContact O-N 3.02Å; V158-A161 WeakPolarHBondContact O-CB 3.36Å; V158-A161 PolarHBondContact O-N 3.23Å; V158-A161 VanDerWaalsContact O-N 3.1Å; T159-A161 VanDerWaalsContact C-N 3.33Å; T159-A161 PolarHBondContact O-N 3.32Å; A161-Y163 PolarHBondContact O-N 3.37Å; A161-A164 WeakPolarHBondContact O-CB 3.41Å; A161-A164 PolarHBondContact O-N 3.29Å; A161-A164 VanDerWaalsContact O-N 3.08Å
162F89.6Confident90.2Very high4 Ų466.1 Ų66.12%0.01833%0.33CS..Hα-helixtrans-65.6-22.1177.6-63-26.3000114.1W117 S135 C138 Y142 V158 T159 V160 A164 L165W117-F162 HydrophobicContact CZ2-CE1 4.06Å; W117-F162 HydrophobicContact CZ2-CZ 4.12Å; S135-F162 WeakPolarHBondContact CB-O 3.33Å; C138-F162 HydrophobicContact CB-CD1 4.21Å; C138-F162 HydrophobicContact CB-CD2 4.33Å; C138-F162 HydrophobicContact CB-CE1 4.45Å; C138-F162 HydrophobicContact CB-CG 4.14Å; C138-F162 WeakPolarHBondContact SG-CD1 3.49Å; C138-F162 WeakPolarHBondContact SG-CE1 3.48Å; C138-F162 VanDerWaalsContact SG-CZ 3.59Å; Y142-F162 HydrophobicContact CD1-CE2 4.18Å; Y142-F162 HydrophobicContact CD2-CE2 4.49Å; Y142-F162 HydrophobicContact CD2-CZ 4.25Å; Y142-F162 AromaticContact CG-CE2 3.86Å; Y142-F162 HydrophobicContact CG-CE2 3.86Å; Y142-F162 HydrophobicContact CG-CZ 4.06Å; V158-F162 HydrophobicContact CG1-CD2 4.44Å; V158-F162 HydrophobicContact CG1-CE1 3.75Å; V158-F162 HydrophobicContact CG1-CE2 3.64Å; V158-F162 HydrophobicContact CG1-CZ 3.24Å; V158-F162 WeakPolarHBondContact O-CG 3.41Å; V158-F162 PolarHBondContact O-N 2.86Å; V158-F162 VanDerWaalsContact O-N 3.14Å; T159-F162 PolarHBondContact O-N 2.9Å; V160-F162 PolarHBondContact O-N 3.46Å; F162-A164 PolarHBondContact O-N 2.94Å; F162-L165 HydrophobicContact CB-CD1 3.99Å; F162-L165 HydrophobicContact CD1-CD1 4.05Å; F162-L165 HydrophobicContact CG-CD1 4.3Å; F162-L165 VanDerWaalsContact O-CB 3.31Å; F162-L165 WeakPolarHBondContact O-CB 3.41Å; F162-L165 WeakPolarHBondContact O-CD1 3.41Å; F162-L165 PolarHBondContact O-N 3Å; F162-L165 VanDerWaalsContact O-N 3.14Å
163Y88.6Confident90.1Very high168 Ų16862.8 Ų62.866%0.65932%0.321SS*.THydrogen-bonded Turntrans-68.4-17.3173.3-69.4-74000113.4T159 V160 A161 L165T159-Y163 WeakPolarHBondContact O-CD2 3.43Å; V160-Y163 PolarHBondContact O-N 3.01Å; A161-Y163 PolarHBondContact O-N 3.37Å; Y163-L165 VanDerWaalsContact C-N 3.31Å
164A87.6Confident89.9Confident59 Ų5959.5 Ų59.549%0.48831%0.31SS..THydrogen-bonded Turntrans-86-0.2174.500000113.2I49 A161 F162I49-A164 HydrophobicContact CB-CB 4.3Å; I49-A164 HydrophobicContact CG1-CB 4.12Å; I49-A164 HydrophobicContact CG2-CB 3.83Å; A161-A164 WeakPolarHBondContact O-CB 3.41Å; A161-A164 PolarHBondContact O-N 3.29Å; A161-A164 VanDerWaalsContact O-N 3.08Å; F162-A164 PolarHBondContact O-N 2.94Å
165L87.3Confident89.9Confident18 Ų1857 Ų579%0.09429%0.294CS..PPolyproline II helixtrans-65140.6173-79.2157.7000110.7F50 T134 C138 F162 Y163 F171F50-L165 HydrophobicContact CE1-CD2 3.43Å; F50-L165 VanDerWaalsContact CE1-CD2 3.43Å; F50-L165 HydrophobicContact CE1-CG 3.97Å; F50-L165 HydrophobicContact CE2-CD2 4.34Å; F50-L165 HydrophobicContact CZ-CB 4.42Å; F50-L165 HydrophobicContact CZ-CD2 3.2Å; F50-L165 HydrophobicContact CZ-CG 3.6Å; T134-L165 HydrophobicContact CG2-CB 4.11Å; T134-L165 HydrophobicContact CG2-CD1 4.18Å; T134-L165 HydrophobicContact CG2-CD2 3.97Å; T134-L165 HydrophobicContact CG2-CG 4.34Å; C138-L165 HydrophobicContact CB-CD1 3.42Å; C138-L165 VanDerWaalsContact CB-CD1 3.42Å; F162-L165 HydrophobicContact CB-CD1 3.99Å; F162-L165 HydrophobicContact CD1-CD1 4.05Å; F162-L165 HydrophobicContact CG-CD1 4.3Å; F162-L165 VanDerWaalsContact O-CB 3.31Å; F162-L165 WeakPolarHBondContact O-CB 3.41Å; F162-L165 WeakPolarHBondContact O-CD1 3.41Å; F162-L165 PolarHBondContact O-N 3Å; F162-L165 VanDerWaalsContact O-N 3.14Å; Y163-L165 VanDerWaalsContact C-N 3.31Å; L165-F171 HydrophobicContact CD2-CD2 4.08Å; L165-F171 HydrophobicContact CD2-CE2 3.77Å
166P89.8Confident89.7Confident35 Ų3556.4 Ų56.423%0.22730%0.299CS..PPolyproline II helixtrans-68.3171.5173.832.2-36.3000111.1T134 V170 F171T134-P166 WeakPolarHBondContact CB-O 3.5Å; T134-P166 PolarHBondContact OG1-O 3.05Å; P166-V170 HydrophobicContact CB-CB 3.95Å; P166-V170 HydrophobicContact CB-CG1 3.63Å; P166-V170 HydrophobicContact CG-CG1 4.27Å; P166-F171 HydrophobicContact CG-CB 4.23Å; P166-F171 HydrophobicContact CG-CD2 4.03Å
167T93.3Very high89.6Confident89 Ų8950.7 Ų50.755%0.54628%0.28SS..PPolyproline II helixtrans-60.1159.7173.766.50000111.3T134 K169 V170 F171T134-T167 PolarHBondContact OG1-O 3.13Å; T167-K169 VanDerWaalsContact C-N 3.27Å; T167-K169 PolarHBondContact O-N 2.63Å; T167-V170 PolarHBondContact O-N 3.21Å; T167-V170 WeakPolarHBondContact OG1-CG2 3.37Å; T167-V170 PolarHBondContact OG1-N 2.84Å; T167-F171 WeakPolarHBondContact O-CB 3.4Å; T167-F171 PolarHBondContact O-N 3.41Å
168R94.5Very high89.7Confident23 Ų2349.1 Ų49.19%0.08728%0.277CS..Hα-helixtrans-54.5-45.4179.7171.6-177.8179.9-78.53.9111.9L125 S128 P129 A132 T134 F171 L172L125-R168 HydrophobicContact CD1-CG 3.92Å; S128-R168 PolarHBondContact O-NE 3.22Å; S128-R168 PolarHBondContact O-NH2 2.78Å; S128-R168 VanDerWaalsContact O-NH2 3.1Å; S128-R168 WeakPolarHBondContact OG-CD 3.15Å; S128-R168 PolarHBondContact OG-NE 3.22Å; P129-R168 WeakPolarHBondContact O-CD 3.2Å; P129-R168 PolarHBondContact O-NE 2.73Å; A132-R168 VanDerWaalsContact O-CB 3.29Å; A132-R168 WeakPolarHBondContact O-CB 3.21Å; T134-R168 WeakPolarHBondContact OG1-CA 3.38Å; T134-R168 PolarHBondContact OG1-N 3.45Å; R168-F171 PolarHBondContact O-N 3.43Å; R168-L172 HydrophobicContact CG-CD1 3.96Å; R168-L172 WeakPolarHBondContact O-CG 3.39Å; R168-L172 PolarHBondContact O-N 2.99Å
169K93.6Very high89.9Confident125 Ų12550.9 Ų50.954%0.54329%0.289SS..Hα-helixtrans-56.3-54.3177.6178175.8175.3176.60111.4T167 F171 L172 E173 P180T167-K169 VanDerWaalsContact C-N 3.27Å; T167-K169 PolarHBondContact O-N 2.63Å; K169-F171 VanDerWaalsContact C-N 3.28Å; K169-F171 PolarHBondContact O-N 3.33Å; K169-L172 PolarHBondContact O-N 3.21Å; K169-E173 WeakPolarHBondContact CE-OE1 3.43Å; K169-E173 HydrophobicContact CG-CG 4.48Å; K169-E173 WeakPolarHBondContact CG-OE1 3.46Å; K169-E173 IonicContact NZ-OE1 3.8Å; K169-E173 WeakPolarHBondContact O-CG 3.33Å; K169-E173 PolarHBondContact O-N 2.91Å; K169-P180 HydrophobicContact CG-CG 4.23Å
170V90.6Very high90.2Very high71 Ų7150.1 Ų50.143%0.4328%0.284SS..Hα-helixtrans-62.9-36.8-179.4172.50000111.2P166 T167 E173 A174P166-V170 HydrophobicContact CB-CB 3.95Å; P166-V170 HydrophobicContact CB-CG1 3.63Å; P166-V170 HydrophobicContact CG-CG1 4.27Å; T167-V170 PolarHBondContact O-N 3.21Å; T167-V170 WeakPolarHBondContact OG1-CG2 3.37Å; T167-V170 PolarHBondContact OG1-N 2.84Å; V170-E173 PolarHBondContact O-N 2.82Å; V170-A174 VanDerWaalsContact O-CB 3.32Å; V170-A174 WeakPolarHBondContact O-CB 3.4Å; V170-A174 PolarHBondContact O-N 2.6Å
171F91.4Very high90.4Very high2 Ų250.4 Ų50.41%0.00928%0.279CS..Hα-helixtrans-64.2-43.5176.5-163.7-76.9000112.3F42 L46 F121 L125 T134 L165 P166 T167 R168 K169 A174 M175F42-F171 AromaticContact CE1-CE1 3.94Å; F42-F171 HydrophobicContact CE1-CE1 3.94Å; F42-F171 AromaticContact CE1-CZ 3.73Å; F42-F171 HydrophobicContact CE1-CZ 3.73Å; F42-F171 HydrophobicContact CZ-CD1 4.49Å; F42-F171 AromaticContact CZ-CE1 3.7Å; F42-F171 HydrophobicContact CZ-CE1 3.7Å; F42-F171 AromaticContact CZ-CZ 3.78Å; F42-F171 HydrophobicContact CZ-CZ 3.78Å; L46-F171 HydrophobicContact CD1-CD2 4.1Å; L46-F171 HydrophobicContact CD1-CE2 3.34Å; L46-F171 HydrophobicContact CD1-CZ 3.73Å; F121-F171 AromaticContact CE1-CE1 3.78Å; F121-F171 HydrophobicContact CE1-CE1 3.78Å; F121-F171 HydrophobicContact CE1-CE2 4.14Å; F121-F171 AromaticContact CE1-CZ 3.43Å; F121-F171 HydrophobicContact CE1-CZ 3.43Å; F121-F171 VanDerWaalsContact CE1-CZ 3.43Å; F121-F171 HydrophobicContact CZ-CD1 4.45Å; F121-F171 HydrophobicContact CZ-CD2 4.49Å; F121-F171 AromaticContact CZ-CE1 3.87Å; F121-F171 HydrophobicContact CZ-CE1 3.87Å; F121-F171 AromaticContact CZ-CE2 3.88Å; F121-F171 HydrophobicContact CZ-CE2 3.88Å; F121-F171 AromaticContact CZ-CZ 3.57Å; F121-F171 HydrophobicContact CZ-CZ 3.57Å; L125-F171 HydrophobicContact CD2-CD1 3.51Å; L125-F171 HydrophobicContact CD2-CE1 3.85Å; T134-F171 HydrophobicContact CG2-CB 4.32Å; T134-F171 HydrophobicContact CG2-CD2 3.68Å; T134-F171 HydrophobicContact CG2-CE2 4.19Å; T134-F171 HydrophobicContact CG2-CG 4.03Å; L165-F171 HydrophobicContact CD2-CD2 4.08Å; L165-F171 HydrophobicContact CD2-CE2 3.77Å; P166-F171 HydrophobicContact CG-CB 4.23Å; P166-F171 HydrophobicContact CG-CD2 4.03Å; T167-F171 WeakPolarHBondContact O-CB 3.4Å; T167-F171 PolarHBondContact O-N 3.41Å; R168-F171 PolarHBondContact O-N 3.43Å; K169-F171 VanDerWaalsContact C-N 3.28Å; K169-F171 PolarHBondContact O-N 3.33Å; F171-A174 PolarHBondContact O-N 3.48Å; F171-M175 HydrophobicContact CD1-CE 3.86Å; F171-M175 HydrophobicContact CE1-CE 3.71Å
172L92.8Very high90.8Very high0 Ų054.9 Ų54.90%030%0.299CS..Hα-helixtrans-68.3-40.5177.5-72.6169.5000111.8L125 R168 K169 A174 M175 P180 A183 V184 L187L125-L172 HydrophobicContact CD2-CD2 3.56Å; L125-L172 HydrophobicContact CD2-CG 4.1Å; L125-L172 HydrophobicContact CG-CD2 3.9Å; L125-L172 HydrophobicContact CG-CG 4.28Å; R168-L172 HydrophobicContact CG-CD1 3.96Å; R168-L172 WeakPolarHBondContact O-CG 3.39Å; R168-L172 PolarHBondContact O-N 2.99Å; K169-L172 PolarHBondContact O-N 3.21Å; L172-A174 VanDerWaalsContact C-N 3.3Å; L172-A174 PolarHBondContact O-N 2.81Å; L172-M175 HydrophobicContact CD2-CE 4.09Å; L172-M175 HydrophobicContact CD2-SD 4.09Å; L172-M175 VanDerWaalsContact O-CB 3.25Å; L172-M175 WeakPolarHBondContact O-CB 3.42Å; L172-M175 WeakPolarHBondContact O-CG 3.41Å; L172-M175 PolarHBondContact O-N 3.21Å; L172-M175 VanDerWaalsContact O-N 3.12Å; L172-P180 HydrophobicContact CB-CB 4.21Å; L172-P180 HydrophobicContact CD1-CB 3.83Å; L172-A183 HydrophobicContact CB-CB 4.03Å; L172-A183 HydrophobicContact CD2-CB 3.8Å; L172-A183 HydrophobicContact CG-CB 4.49Å; L172-V184 HydrophobicContact CD1-CG2 4.3Å; L172-V184 HydrophobicContact CD2-CG2 4.43Å; L172-L187 HydrophobicContact CD2-CD1 4.2Å
173E90.9Very high91.1Very high85 Ų8554.7 Ų54.740%0.39730%0.298SS..Hα-helixtrans-63.1-36.7175-71.9170.3168.300111.6K169 V170 M175 N176 P180K169-E173 WeakPolarHBondContact CE-OE1 3.43Å; K169-E173 HydrophobicContact CG-CG 4.48Å; K169-E173 WeakPolarHBondContact CG-OE1 3.46Å; K169-E173 IonicContact NZ-OE1 3.8Å; K169-E173 WeakPolarHBondContact O-CG 3.33Å; K169-E173 PolarHBondContact O-N 2.91Å; V170-E173 PolarHBondContact O-N 2.82Å; E173-M175 PolarHBondContact O-N 3.49Å; E173-M175 VanDerWaalsContact O-N 3.1Å; E173-N176 PolarHBondContact O-N 3.39Å; E173-P180 HydrophobicContact CG-CG 4.47Å
174A88.6Confident91.4Very high35 Ų3548.2 Ų48.229%0.28928%0.276SS..THydrogen-bonded Turntrans-64.5-11.4175.700000114L46 V170 F171 L172 N176L46-A174 HydrophobicContact CD2-CB 3.79Å; V170-A174 VanDerWaalsContact O-CB 3.32Å; V170-A174 WeakPolarHBondContact O-CB 3.4Å; V170-A174 PolarHBondContact O-N 2.6Å; F171-A174 PolarHBondContact O-N 3.48Å; L172-A174 VanDerWaalsContact C-N 3.3Å; L172-A174 PolarHBondContact O-N 2.81Å; A174-N176 PolarHBondContact O-N 3.44Å
175M89.3Confident91.8Very high0 Ų051.7 Ų51.70%028%0.282CS..THydrogen-bonded Turntrans-72.4-13.6172.7-59-172.2172.300112.9L10 F42 L122 L125 F171 L172 E173 V177 A183 M186 L187L10-M175 HydrophobicContact CB-CB 4.1Å; L10-M175 HydrophobicContact CB-CG 4.41Å; L10-M175 HydrophobicContact CD2-CB 4.27Å; L10-M175 HydrophobicContact CD2-CE 3.74Å; L10-M175 HydrophobicContact CD2-CG 3.67Å; L10-M175 HydrophobicContact CD2-SD 3.7Å; L10-M175 PolarHBondContact N-O 3.15Å; F42-M175 HydrophobicContact CZ-CG 4.38Å; L122-M175 HydrophobicContact CD2-CE 4.11Å; L125-M175 HydrophobicContact CD2-CE 3.5Å; L125-M175 VanDerWaalsContact CD2-CE 3.5Å; F171-M175 HydrophobicContact CD1-CE 3.86Å; F171-M175 HydrophobicContact CE1-CE 3.71Å; L172-M175 HydrophobicContact CD2-CE 4.09Å; L172-M175 HydrophobicContact CD2-SD 4.09Å; L172-M175 VanDerWaalsContact O-CB 3.25Å; L172-M175 WeakPolarHBondContact O-CB 3.42Å; L172-M175 WeakPolarHBondContact O-CG 3.41Å; L172-M175 PolarHBondContact O-N 3.21Å; L172-M175 VanDerWaalsContact O-N 3.12Å; E173-M175 PolarHBondContact O-N 3.49Å; E173-M175 VanDerWaalsContact O-N 3.1Å; M175-V177 HydrophobicContact CB-CG2 3.99Å; M175-V177 PolarHBondContact O-N 3.3Å; M175-A183 HydrophobicContact SD-CB 4.09Å; M175-M186 HydrophobicContact CB-CE 4.43Å; M175-M186 HydrophobicContact SD-CE 3.93Å; M175-L187 HydrophobicContact CE-CD1 4.06Å; M175-L187 HydrophobicContact CE-CD2 4.1Å; M175-L187 HydrophobicContact CE-CG 4.46Å; M175-L187 HydrophobicContact SD-CD1 4.24Å; M175-L187 HydrophobicContact SD-CD2 4.1Å; M175-L187 HydrophobicContact SD-CG 4.21Å
176N88.8Confident92.1Very high88 Ų8851.1 Ų51.147%0.47128%0.279SS..SBendtrans56.443.9177.6-160.631.4000113.8G7 F8 E173 A174G7-N176 PolarHBondContact O-ND2 3.47Å; F8-N176 VanDerWaalsContact O-CB 3.29Å; F8-N176 WeakPolarHBondContact O-CB 3.49Å; E173-N176 PolarHBondContact O-N 3.39Å; A174-N176 PolarHBondContact O-N 3.44Å
177V88.2Confident92.4Very high25 Ų2549.5 Ų49.515%0.15227%0.268CS..SBendtrans-125.620.5179.7-64.30000112.4K11 M175 Q182 A183 M186K11-V177 HydrophobicContact CB-CG1 4.02Å; M175-V177 HydrophobicContact CB-CG2 3.99Å; M175-V177 PolarHBondContact O-N 3.3Å; V177-Q182 WeakPolarHBondContact O-CB 3.15Å; V177-Q182 PolarHBondContact O-OE1 2.81Å; V177-A183 VanDerWaalsContact CG2-CA 3.48Å; V177-A183 HydrophobicContact CG2-CB 3.68Å; V177-M186 HydrophobicContact CG1-CE 4.26Å; V177-M186 HydrophobicContact CG1-CG 4.26Å; V177-M186 HydrophobicContact CG2-CB 4.35Å; V177-M186 HydrophobicContact CG2-CE 4.08Å
178G89.1Confident92.5Very high35 Ų3546.9 Ų46.936%0.36126%0.259SS..SBendtrans98.3-160.7-176.600000113.5
179P92.1Very high92.4Very high63 Ų6351 Ų5141%0.40928%0.279SS..SBendtrans-59162.5178.6-25.135.6000113.6E181 Q182 A183P179-E181 VanDerWaalsContact CB-OE2 3.28Å; P179-E181 WeakPolarHBondContact CB-OE2 3.18Å; P179-E181 PolarHBondContact O-N 3.25Å; P179-Q182 PolarHBondContact O-N 2.95Å; P179-A183 PolarHBondContact O-N 3.2Å; P179-A183 VanDerWaalsContact O-N 3.1Å
180P93.2Very high92.4Very high18 Ų1845 Ų4512%0.11725%0.253CS..Hα-helixtrans-48.1-35.9-179.7-31.638000115.1K169 L172 E173 A183 V184K169-P180 HydrophobicContact CG-CG 4.23Å; L172-P180 HydrophobicContact CB-CB 4.21Å; L172-P180 HydrophobicContact CD1-CB 3.83Å; E173-P180 HydrophobicContact CG-CG 4.47Å; P180-A183 PolarHBondContact O-N 2.67Å; P180-V184 WeakPolarHBondContact O-CG2 3.26Å; P180-V184 PolarHBondContact O-N 3.19Å
181E94.3Very high92.6Very high108 Ų10842 Ų4251%0.50524%0.235SC..Hα-helixtrans-67.2-39.9-179.9-5769.8-146.600111.6P179 V184 Q185P179-E181 VanDerWaalsContact CB-OE2 3.28Å; P179-E181 WeakPolarHBondContact CB-OE2 3.18Å; P179-E181 PolarHBondContact O-N 3.25Å; E181-V184 PolarHBondContact O-N 2.7Å; E181-Q185 WeakPolarHBondContact O-CG 3.3Å; E181-Q185 PolarHBondContact O-N 2.75Å
182Q94.6Very high92.8Very high101 Ų10145.1 Ų45.147%0.47226%0.255SS..Hα-helixtrans-70.4-36.1175.8-65.6-177.21100111V177 P179 Q185 M186V177-Q182 WeakPolarHBondContact O-CB 3.15Å; V177-Q182 PolarHBondContact O-OE1 2.81Å; P179-Q182 PolarHBondContact O-N 2.95Å; Q182-Q185 PolarHBondContact O-N 3.36Å; Q182-M186 WeakPolarHBondContact O-CB 3.49Å; Q182-M186 PolarHBondContact O-N 3.11Å
183A94.2Very high92.9Very high0 Ų048.1 Ų48.10%027%0.268CS..Hα-helixtrans-62.5-43.9172.400000111.8L172 M175 V177 P179 P180 Q185 M186 L187L172-A183 HydrophobicContact CB-CB 4.03Å; L172-A183 HydrophobicContact CD2-CB 3.8Å; L172-A183 HydrophobicContact CG-CB 4.49Å; M175-A183 HydrophobicContact SD-CB 4.09Å; V177-A183 VanDerWaalsContact CG2-CA 3.48Å; V177-A183 HydrophobicContact CG2-CB 3.68Å; P179-A183 PolarHBondContact O-N 3.2Å; P179-A183 VanDerWaalsContact O-N 3.1Å; P180-A183 PolarHBondContact O-N 2.67Å; A183-Q185 PolarHBondContact O-N 3.26Å; A183-M186 PolarHBondContact O-N 3.08Å; A183-L187 VanDerWaalsContact O-CG 3.32Å; A183-L187 WeakPolarHBondContact O-CG 3.08Å; A183-L187 PolarHBondContact O-N 2.82Å
184V96Very high93.1Very high32 Ų3244.1 Ų44.119%0.19425%0.249CC..Hα-helixtrans-60.8-44.1174.9167.80000111.8R126 L172 P180 E181 L187 G188R126-V184 HydrophobicContact CG-CG1 3.83Å; R126-V184 WeakPolarHBondContact O-CG1 3.32Å; L172-V184 HydrophobicContact CD1-CG2 4.3Å; L172-V184 HydrophobicContact CD2-CG2 4.43Å; P180-V184 WeakPolarHBondContact O-CG2 3.26Å; P180-V184 PolarHBondContact O-N 3.19Å; E181-V184 PolarHBondContact O-N 2.7Å; V184-L187 PolarHBondContact O-N 3.3Å; V184-G188 PolarHBondContact O-N 3.03Å; V184-G188 VanDerWaalsContact O-N 3.1Å
185Q95.3Very high93.5Very high132 Ų13246.5 Ų46.562%0.61726%0.255SS*.Hα-helixtrans-60.9-46.7175.5-72.9175.8-0.900111.5E181 Q182 A183 L187 G188 E189E181-Q185 WeakPolarHBondContact O-CG 3.3Å; E181-Q185 PolarHBondContact O-N 2.75Å; Q182-Q185 PolarHBondContact O-N 3.36Å; A183-Q185 PolarHBondContact O-N 3.26Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; Q185-L187 PolarHBondContact O-N 2.96Å; Q185-G188 WeakPolarHBondContact O-CA 3.38Å; Q185-G188 PolarHBondContact O-N 2.93Å; Q185-E189 PolarHBondContact O-N 3.23Å
186M94.8Very high93.9Very high7 Ų752.9 Ų52.93%0.03428%0.279CS..Hα-helixtrans-58.9-42.3177.6-177.4-78.5-63.900112.2L10 K11 L14 M175 V177 Q182 A183 G188 E189 A190L10-M186 HydrophobicContact CB-CE 4.35Å; L10-M186 HydrophobicContact CD2-CE 4.42Å; L10-M186 HydrophobicContact CG-CE 4.44Å; K11-M186 HydrophobicContact CB-CG 3.67Å; K11-M186 HydrophobicContact CB-SD 3.82Å; K11-M186 HydrophobicContact CD-CG 3.71Å; K11-M186 HydrophobicContact CG-CG 3.61Å; K11-M186 HydrophobicContact CG-SD 4.06Å; L14-M186 HydrophobicContact CD1-CE 4.18Å; L14-M186 HydrophobicContact CD1-SD 3.89Å; M175-M186 HydrophobicContact CB-CE 4.43Å; M175-M186 HydrophobicContact SD-CE 3.93Å; V177-M186 HydrophobicContact CG1-CE 4.26Å; V177-M186 HydrophobicContact CG1-CG 4.26Å; V177-M186 HydrophobicContact CG2-CB 4.35Å; V177-M186 HydrophobicContact CG2-CE 4.08Å; Q182-M186 WeakPolarHBondContact O-CB 3.49Å; Q182-M186 PolarHBondContact O-N 3.11Å; A183-M186 PolarHBondContact O-N 3.08Å; M186-G188 VanDerWaalsContact C-N 3.31Å; M186-G188 PolarHBondContact O-N 3.21Å; M186-E189 PolarHBondContact O-N 3.47Å; M186-A190 WeakPolarHBondContact O-CB 3.39Å; M186-A190 PolarHBondContact O-N 3.35Å; M186-A190 HydrophobicContact SD-CB 4.27Å
187L95.2Very high94.3Very high0 Ų048.7 Ų48.70%026%0.256CS..Hα-helixtrans-60.4-41.7174.4-69.2174.6000111.4L14 L122 L125 R126 L172 M175 A183 V184 Q185 E189 A190 L191L14-L187 HydrophobicContact CD1-CD2 3.76Å; L122-L187 HydrophobicContact CB-CD2 4.38Å; L122-L187 HydrophobicContact CD1-CD2 4.41Å; L122-L187 HydrophobicContact CD2-CD2 4.08Å; L125-L187 HydrophobicContact CD2-CD1 4.3Å; R126-L187 HydrophobicContact CB-CB 4.25Å; R126-L187 HydrophobicContact CB-CD1 4.18Å; R126-L187 HydrophobicContact CG-CB 4.09Å; L172-L187 HydrophobicContact CD2-CD1 4.2Å; M175-L187 HydrophobicContact CE-CD1 4.06Å; M175-L187 HydrophobicContact CE-CD2 4.1Å; M175-L187 HydrophobicContact CE-CG 4.46Å; M175-L187 HydrophobicContact SD-CD1 4.24Å; M175-L187 HydrophobicContact SD-CD2 4.1Å; M175-L187 HydrophobicContact SD-CG 4.21Å; A183-L187 VanDerWaalsContact O-CG 3.32Å; A183-L187 WeakPolarHBondContact O-CG 3.08Å; A183-L187 PolarHBondContact O-N 2.82Å; V184-L187 PolarHBondContact O-N 3.3Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; Q185-L187 PolarHBondContact O-N 2.96Å; L187-E189 VanDerWaalsContact C-N 3.3Å; L187-E189 PolarHBondContact O-N 2.87Å; L187-A190 PolarHBondContact O-N 3.03Å; L187-L191 HydrophobicContact CB-CD1 4.3Å; L187-L191 VanDerWaalsContact O-CB 3.27Å; L187-L191 WeakPolarHBondContact O-CB 3.22Å; L187-L191 WeakPolarHBondContact O-CG 3.23Å; L187-L191 PolarHBondContact O-N 3.11Å
188G94.8Very high94.8Very high34 Ų3448.9 Ų48.935%0.35126%0.255SS..Hα-helixtrans-60.9-36.2175.900000113.6V184 Q185 M186 P192V184-G188 PolarHBondContact O-N 3.03Å; V184-G188 VanDerWaalsContact O-N 3.1Å; Q185-G188 WeakPolarHBondContact O-CA 3.38Å; Q185-G188 PolarHBondContact O-N 2.93Å; M186-G188 VanDerWaalsContact C-N 3.31Å; M186-G188 PolarHBondContact O-N 3.21Å; G188-P192 WeakPolarHBondContact O-CD 3.25Å
189E93.7Very high95.3Very high110 Ų11051 Ų5151%0.51426%0.258SS..Hα-helixtrans-72.7-37.1176.1-68177179.200112.8K11 Q185 M186 L187K11-E189 IonicContact NZ-OE2 3.78Å; K11-E189 PolarHBondContact NZ-OE2 3.07Å; Q185-E189 PolarHBondContact O-N 3.23Å; M186-E189 PolarHBondContact O-N 3.47Å; L187-E189 VanDerWaalsContact C-N 3.3Å; L187-E189 PolarHBondContact O-N 2.87Å
190A92.6Very high95.6Very high0 Ų049.1 Ų49.10%025%0.245CC..Hα-helixtrans-98-29.3-166.600000114.5L14 V15 M186 L187 P192 F193L14-A190 HydrophobicContact CB-CB 3.43Å; L14-A190 VanDerWaalsContact CB-CB 3.43Å; L14-A190 HydrophobicContact CD1-CB 4.05Å; L14-A190 HydrophobicContact CG-CB 4.4Å; V15-A190 HydrophobicContact CG2-CB 4.36Å; M186-A190 WeakPolarHBondContact O-CB 3.39Å; M186-A190 PolarHBondContact O-N 3.35Å; M186-A190 HydrophobicContact SD-CB 4.27Å; L187-A190 PolarHBondContact O-N 3.03Å; A190-P192 VanDerWaalsContact C-CD 3.41Å; A190-P192 VanDerWaalsContact C-N 3.34Å; A190-F193 WeakPolarHBondContact O-CB 3.47Å; A190-F193 WeakPolarHBondContact O-CD2 3.37Å; A190-F193 PolarHBondContact O-N 3.15Å; A190-F193 VanDerWaalsContact O-N 3.11Å
191L94.4Very high95.8Very high8 Ų848.3 Ų48.34%0.04224%0.24CC..Hα-helixtrans-56.9-36.3178.7-78.1173.9000114.8L122 E123 L187 F193 I194 E195L122-L191 HydrophobicContact CB-CD1 4.28Å; L122-L191 HydrophobicContact CB-CD2 3.73Å; L122-L191 HydrophobicContact CB-CG 4.49Å; L122-L191 HydrophobicContact CD1-CD2 3.99Å; E123-L191 HydrophobicContact CB-CD1 4.19Å; E123-L191 VanDerWaalsContact OE2-CD1 3.28Å; E123-L191 WeakPolarHBondContact OE2-CD1 3.49Å; L187-L191 HydrophobicContact CB-CD1 4.3Å; L187-L191 VanDerWaalsContact O-CB 3.27Å; L187-L191 WeakPolarHBondContact O-CB 3.22Å; L187-L191 WeakPolarHBondContact O-CG 3.23Å; L187-L191 PolarHBondContact O-N 3.11Å; L191-F193 PolarHBondContact O-N 3.4Å; L191-F193 VanDerWaalsContact O-N 3.16Å; L191-I194 PolarHBondContact O-N 2.95Å; L191-I194 VanDerWaalsContact O-N 3.1Å; L191-E195 PolarHBondContact O-N 2.96Å
192P95.8Very high96Very high67 Ų6745.9 Ų45.944%0.43523%0.228SC..Hα-helixtrans-57.6-28.2175.7-28.537.1000114.1G188 A190 R196G188-P192 WeakPolarHBondContact O-CD 3.25Å; A190-P192 VanDerWaalsContact C-CD 3.41Å; A190-P192 VanDerWaalsContact C-N 3.34Å; P192-R196 WeakPolarHBondContact O-CB 3.39Å; P192-R196 PolarHBondContact O-N 3.34Å
193F95.6Very high96.2Very high63 Ų6347.3 Ų47.328%0.27623%0.233SC..Hα-helixtrans-69.4-43.4176.2-58.7-56.7000111.8V15 F17 K18 A190 L191 E195 R196 V197V15-F193 HydrophobicContact CG2-CE2 4.34Å; F17-F193 HydrophobicContact CB-CB 3.99Å; K18-F193 HydrophobicContact CB-CD1 3.8Å; K18-F193 HydrophobicContact CB-CE1 4.06Å; K18-F193 HydrophobicContact CB-CG 4.12Å; K18-F193 HydrophobicContact CD-CE1 3.93Å; K18-F193 HydrophobicContact CD-CZ 4.25Å; K18-F193 HydrophobicContact CG-CD1 4.05Å; K18-F193 HydrophobicContact CG-CE1 3.95Å; A190-F193 WeakPolarHBondContact O-CB 3.47Å; A190-F193 WeakPolarHBondContact O-CD2 3.37Å; A190-F193 PolarHBondContact O-N 3.15Å; A190-F193 VanDerWaalsContact O-N 3.11Å; L191-F193 PolarHBondContact O-N 3.4Å; L191-F193 VanDerWaalsContact O-N 3.16Å; F193-E195 VanDerWaalsContact C-N 3.35Å; F193-R196 PolarHBondContact O-N 3.4Å; F193-V197 WeakPolarHBondContact O-CG2 3.21Å; F193-V197 PolarHBondContact O-N 3.36Å; F193-V197 VanDerWaalsContact O-N 3.16Å
194I95.6Very high96.5Very high0 Ų047.9 Ų47.90%024%0.236CC..Hα-helixtrans-63.4-45.2175-69.4173.5000110L14 F17 L115 Q119 L191 R196 V197 Y198L14-I194 HydrophobicContact CD2-CD1 3.48Å; L14-I194 VanDerWaalsContact CD2-CD1 3.48Å; F17-I194 HydrophobicContact CB-CG1 4.17Å; F17-I194 HydrophobicContact CD1-CG1 4.15Å; F17-I194 HydrophobicContact CD2-CD1 4.06Å; F17-I194 HydrophobicContact CD2-CG1 3.57Å; F17-I194 HydrophobicContact CE1-CG1 4.46Å; F17-I194 HydrophobicContact CE2-CD1 4.06Å; F17-I194 HydrophobicContact CE2-CG1 3.93Å; F17-I194 HydrophobicContact CG-CG1 3.69Å; F17-I194 HydrophobicContact CZ-CG1 4.36Å; L115-I194 HydrophobicContact CD1-CG2 3.82Å; L115-I194 HydrophobicContact CD2-CG2 4.25Å; L115-I194 HydrophobicContact CG-CG2 3.81Å; Q119-I194 HydrophobicContact CB-CG2 4.17Å; Q119-I194 HydrophobicContact CG-CG2 4.45Å; L191-I194 PolarHBondContact O-N 2.95Å; L191-I194 VanDerWaalsContact O-N 3.1Å; I194-R196 VanDerWaalsContact C-N 3.32Å; I194-R196 PolarHBondContact O-N 2.94Å; I194-V197 PolarHBondContact O-N 2.91Å; I194-Y198 VanDerWaalsContact O-CB 3.3Å; I194-Y198 WeakPolarHBondContact O-CB 3.38Å; I194-Y198 PolarHBondContact O-N 2.84Å
195E96.5Very high96.6Very high85 Ų8546.4 Ų46.440%0.39723%0.227SC..Hα-helixtrans-58.9-43.8179.3-179.2165.7-146.300111.8L191 F193 Y198 N199L191-E195 PolarHBondContact O-N 2.96Å; F193-E195 VanDerWaalsContact C-N 3.35Å; E195-Y198 PolarHBondContact O-N 3.33Å; E195-N199 WeakPolarHBondContact CG-ND2 3.18Å; E195-N199 WeakPolarHBondContact O-CB 3.42Å; E195-N199 PolarHBondContact O-N 3.45Å; E195-N199 PolarHBondContact O-ND2 2.9Å
196R97.3Very high96.7Very high134 Ų13442.4 Ų42.451%0.50622%0.216SC..Hα-helixtrans-64-46.7178.4-163.7179.7177178-2.5111.9L21 E25 P192 F193 I194 Y198 N199 V200L21-R196 HydrophobicContact CD1-CB 3.99Å; L21-R196 HydrophobicContact CD1-CG 3.5Å; E25-R196 IonicContact OE1-CZ 2.66Å; E25-R196 IonicContact OE1-NE 2.67Å; E25-R196 PolarHBondContact OE1-NE 3.37Å; E25-R196 IonicContact OE1-NH2 2.73Å; E25-R196 PolarHBondContact OE1-NH2 2.93Å; P192-R196 WeakPolarHBondContact O-CB 3.39Å; P192-R196 PolarHBondContact O-N 3.34Å; F193-R196 PolarHBondContact O-N 3.4Å; I194-R196 VanDerWaalsContact C-N 3.32Å; I194-R196 PolarHBondContact O-N 2.94Å; R196-Y198 VanDerWaalsContact C-N 3.32Å; R196-Y198 PolarHBondContact O-N 3.37Å; R196-N199 PolarHBondContact O-N 3.49Å; R196-V200 WeakPolarHBondContact O-CG2 3.47Å; R196-V200 PolarHBondContact O-N 2.72Å
197V98Very high96.9Very high0 Ų047.9 Ų47.90%024%0.242CC..Hα-helixtrans-60-44.2176.4173.30000111F17 C20 L21 V27 Y32 L115 F193 I194 S201F17-V197 HydrophobicContact CB-CG2 4.42Å; F17-V197 HydrophobicContact CD1-CB 4.48Å; F17-V197 HydrophobicContact CD1-CG1 4.44Å; F17-V197 HydrophobicContact CD1-CG2 4.35Å; F17-V197 WeakPolarHBondContact O-CG2 3.44Å; C20-V197 HydrophobicContact CB-CG1 4.3Å; C20-V197 HydrophobicContact CB-CG2 3.64Å; L21-V197 HydrophobicContact CD1-CG2 4.08Å; L21-V197 HydrophobicContact CG-CG2 4Å; V27-V197 HydrophobicContact CG1-CG1 4.16Å; Y32-V197 HydrophobicContact CD2-CG1 3.98Å; Y32-V197 HydrophobicContact CE2-CG1 3.97Å; L115-V197 HydrophobicContact CD2-CG1 4.44Å; F193-V197 WeakPolarHBondContact O-CG2 3.21Å; F193-V197 PolarHBondContact O-N 3.36Å; F193-V197 VanDerWaalsContact O-N 3.16Å; I194-V197 PolarHBondContact O-N 2.91Å; V197-S201 WeakPolarHBondContact O-CB 3.48Å; V197-S201 PolarHBondContact O-N 3.25Å; V197-S201 PolarHBondContact O-OG 3.26Å
198Y98.3Very high97.1Very high30 Ų3051.7 Ų51.712%0.11826%0.26CS..Hα-helixtrans-59.6-49.5176176.8-96.1000111.1H112 R116 I194 E195 R196 V200 S201 Q202H112-Y198 AromaticContact CE1-CD2 3.11Å; H112-Y198 WeakPolarHBondContact CE1-CD2 3.45Å; H112-Y198 AromaticContact CE1-CE2 3.07Å; H112-Y198 WeakPolarHBondContact CE1-CE2 3.34Å; H112-Y198 AromaticContact CE1-CG 3.88Å; H112-Y198 AromaticContact CE1-CZ 3.86Å; H112-Y198 PolarHBondContact CE1-O 3.35Å; H112-Y198 VanDerWaalsContact CE1-O 3.28Å; H112-Y198 AromaticContact ND1-CD2 3.47Å; H112-Y198 WeakPolarHBondContact ND1-CD2 3.37Å; H112-Y198 AromaticContact ND1-CE2 3.68Å; H112-Y198 AromaticContact NE2-CD2 3.9Å; H112-Y198 AromaticContact NE2-CE2 3.35Å; H112-Y198 WeakPolarHBondContact NE2-CE2 3.49Å; H112-Y198 AromaticContact NE2-CZ 3.91Å; R116-Y198 HydrophobicContact CB-CD2 4.17Å; R116-Y198 HydrophobicContact CB-CE2 3.51Å; R116-Y198 HydrophobicContact CG-CE2 4.09Å; I194-Y198 VanDerWaalsContact O-CB 3.3Å; I194-Y198 WeakPolarHBondContact O-CB 3.38Å; I194-Y198 PolarHBondContact O-N 2.84Å; E195-Y198 PolarHBondContact O-N 3.33Å; R196-Y198 VanDerWaalsContact C-N 3.32Å; R196-Y198 PolarHBondContact O-N 3.37Å; Y198-V200 PolarHBondContact O-N 2.84Å; Y198-S201 PolarHBondContact O-N 3Å; Y198-Q202 HydrophobicContact CE1-CB 4.31Å; Y198-Q202 WeakPolarHBondContact O-CB 3.3Å; Y198-Q202 PolarHBondContact O-N 2.55Å; Y198-Q202 PolarHBondContact OH-OE1 2.77Å
199N98.4Very high97.2Very high80 Ų8055.3 Ų55.343%0.42828%0.279SS..Hα-helixtrans-64.2-42.2-176.8-72.1-22000112.5E195 R196 Q202 K203E195-N199 WeakPolarHBondContact CG-ND2 3.18Å; E195-N199 WeakPolarHBondContact O-CB 3.42Å; E195-N199 PolarHBondContact O-N 3.45Å; E195-N199 PolarHBondContact O-ND2 2.9Å; R196-N199 PolarHBondContact O-N 3.49Å; N199-Q202 PolarHBondContact O-N 3.48Å; N199-K203 WeakPolarHBondContact O-CB 3.18Å; N199-K203 PolarHBondContact O-N 3.4Å
200V98.6Very high97.5Very high23 Ų2350.1 Ų50.114%0.13926%0.255CS..Hα-helixtrans-62.8-46.2175.2174.60000110.6L21 E25 V27 R196 Y198 K203 L204L21-V200 HydrophobicContact CD1-CG2 4.47Å; L21-V200 HydrophobicContact CD2-CB 4.21Å; L21-V200 HydrophobicContact CD2-CG1 4.17Å; L21-V200 HydrophobicContact CD2-CG2 4.08Å; E25-V200 VanDerWaalsContact O-CG1 3.28Å; E25-V200 WeakPolarHBondContact O-CG1 3.25Å; V27-V200 HydrophobicContact CG2-CB 4.09Å; V27-V200 HydrophobicContact CG2-CG1 3.58Å; R196-V200 WeakPolarHBondContact O-CG2 3.47Å; R196-V200 PolarHBondContact O-N 2.72Å; Y198-V200 PolarHBondContact O-N 2.84Å; V200-K203 PolarHBondContact O-N 3.38Å; V200-L204 WeakPolarHBondContact O-CB 3.38Å; V200-L204 PolarHBondContact O-N 2.98Å
201S98.6Very high97.7Very high1 Ų152.3 Ų52.31%0.00727%0.267CS..Hα-helixtrans-63.3-43.7177.6-55.40000111.6V197 Y198 K203 L204 Y205V197-S201 WeakPolarHBondContact O-CB 3.48Å; V197-S201 PolarHBondContact O-N 3.25Å; V197-S201 PolarHBondContact O-OG 3.26Å; Y198-S201 PolarHBondContact O-N 3Å; S201-K203 PolarHBondContact O-N 3.28Å; S201-L204 PolarHBondContact O-N 3.47Å; S201-Y205 VanDerWaalsContact O-CD2 3.23Å; S201-Y205 WeakPolarHBondContact O-CD2 3.1Å; S201-Y205 PolarHBondContact O-N 2.78Å
202Q98.7Very high97.9Very high56 Ų5658.4 Ų58.426%0.26230%0.299SS..Hα-helixtrans-60.3-45.6178.4179.46326.900111.1H112 Y198 N199 Y205 A206 L211H112-Q202 PolarHBondContact CE1-N 3.14Å; H112-Q202 PolarHBondContact NE2-OE1 3.3Å; Y198-Q202 HydrophobicContact CE1-CB 4.31Å; Y198-Q202 WeakPolarHBondContact O-CB 3.3Å; Y198-Q202 PolarHBondContact O-N 2.55Å; Y198-Q202 PolarHBondContact OH-OE1 2.77Å; N199-Q202 PolarHBondContact O-N 3.48Å; Q202-Y205 PolarHBondContact O-N 2.66Å; Q202-A206 VanDerWaalsContact O-CB 3.3Å; Q202-A206 WeakPolarHBondContact O-CB 3.29Å; Q202-A206 PolarHBondContact O-N 3.24Å; Q202-L211 VanDerWaalsContact NE2-CD2 3.33Å
203K98.6Very high97.9Very high131 Ų13155.4 Ų55.457%0.5728%0.28SS*.Hα-helixtrans-61.9-48.5177.2-179.3176.7170.6-176.70111.2N199 V200 S201 Y205 A206 E207N199-K203 WeakPolarHBondContact O-CB 3.18Å; N199-K203 PolarHBondContact O-N 3.4Å; V200-K203 PolarHBondContact O-N 3.38Å; S201-K203 PolarHBondContact O-N 3.28Å; K203-Y205 VanDerWaalsContact C-N 3.33Å; K203-Y205 PolarHBondContact O-N 2.97Å; K203-A206 PolarHBondContact O-N 3.15Å; K203-A206 VanDerWaalsContact O-N 3.16Å; K203-E207 WeakPolarHBondContact CE-OE1 3.48Å; K203-E207 HydrophobicContact CG-CG 4.3Å; K203-E207 WeakPolarHBondContact CG-OE1 3.42Å; K203-E207 IonicContact NZ-OE1 3.83Å; K203-E207 WeakPolarHBondContact O-CB 3.48Å; K203-E207 VanDerWaalsContact O-CG 3.32Å; K203-E207 WeakPolarHBondContact O-CG 3.42Å; K203-E207 PolarHBondContact O-N 3.27Å
204L98.8Very high97.7Very high13 Ų1354.8 Ų54.87%0.06828%0.282CS..Hα-helixtrans-55-47.5177.7175.264000112.1L79 Q80 V83 V200 S201 H208L79-L204 HydrophobicContact CB-CD2 3.68Å; Q80-L204 HydrophobicContact CG-CD1 4.17Å; Q80-L204 HydrophobicContact CG-CD2 4.11Å; V83-L204 HydrophobicContact CG2-CD2 4.08Å; V83-L204 HydrophobicContact CG2-CG 4.3Å; V200-L204 WeakPolarHBondContact O-CB 3.38Å; V200-L204 PolarHBondContact O-N 2.98Å; S201-L204 PolarHBondContact O-N 3.47Å; L204-H208 PolarHBondContact O-N 3.02Å; L204-H208 PolarHBondContact O-ND1 3.17Å
205Y98.8Very high97.8Very high0 Ų057.6 Ų57.60%030%0.296CS..Hα-helixtrans-69.2-36.5179.4-84.7-108.5000112.4C105 V108 L109 S201 Q202 K203 S209 L210C105-Y205 WeakPolarHBondContact O-CE1 3.37Å; C105-Y205 PolarHBondContact O-OH 3.41Å; V108-Y205 VanDerWaalsContact CB-OH 3.27Å; V108-Y205 WeakPolarHBondContact CB-OH 3.18Å; V108-Y205 HydrophobicContact CG1-CE2 4.33Å; V108-Y205 WeakPolarHBondContact CG1-OH 3.38Å; L109-Y205 HydrophobicContact CB-CD1 4.34Å; L109-Y205 HydrophobicContact CB-CE1 3.76Å; L109-Y205 HydrophobicContact CD1-CD1 3.81Å; L109-Y205 HydrophobicContact CD1-CE1 4.09Å; L109-Y205 HydrophobicContact CG-CE1 4.41Å; S201-Y205 VanDerWaalsContact O-CD2 3.23Å; S201-Y205 WeakPolarHBondContact O-CD2 3.1Å; S201-Y205 PolarHBondContact O-N 2.78Å; Q202-Y205 PolarHBondContact O-N 2.66Å; K203-Y205 VanDerWaalsContact C-N 3.33Å; K203-Y205 PolarHBondContact O-N 2.97Å; Y205-S209 PolarHBondContact O-N 3.41Å; Y205-L210 HydrophobicContact CD1-CB 3.56Å; Y205-L210 HydrophobicContact CE1-CB 4.2Å; Y205-L210 HydrophobicContact CG-CB 4.24Å; Y205-L210 PolarHBondContact O-N 3.37Å
206A98.6Very high97.9Very high48 Ų4856.1 Ų56.140%0.39729%0.291SS..Hα-helixtrans-64.7-46.4176.200000111.7Q202 K203 H208 S209 L211Q202-A206 VanDerWaalsContact O-CB 3.3Å; Q202-A206 WeakPolarHBondContact O-CB 3.29Å; Q202-A206 PolarHBondContact O-N 3.24Å; K203-A206 PolarHBondContact O-N 3.15Å; K203-A206 VanDerWaalsContact O-N 3.16Å; A206-H208 PolarHBondContact O-N 3.47Å; A206-S209 PolarHBondContact O-N 3.42Å; A206-L211 HydrophobicContact CB-CD1 3.86Å; A206-L211 HydrophobicContact CB-CG 4.46Å
207E98.4Very high97.9Very high123 Ų12351.8 Ų51.858%0.57528%0.279SS*.Hα-helixtrans-59.5-30-179.6-74.9174.1168.300112.9K203K203-E207 WeakPolarHBondContact CE-OE1 3.48Å; K203-E207 HydrophobicContact CG-CG 4.3Å; K203-E207 WeakPolarHBondContact CG-OE1 3.42Å; K203-E207 IonicContact NZ-OE1 3.83Å; K203-E207 WeakPolarHBondContact O-CB 3.48Å; K203-E207 VanDerWaalsContact O-CG 3.32Å; K203-E207 WeakPolarHBondContact O-CG 3.42Å; K203-E207 PolarHBondContact O-N 3.27Å
208H98.3Very high97.9Very high80 Ų8054.8 Ų54.837%0.3730%0.295SS..THydrogen-bonded Turntrans-101.48.4179.5-63.181.6000113.4V83 L87 L204 A206 L210V83-H208 HydrophobicContact CG1-CB 4.24Å; L87-H208 HydrophobicContact CD1-CB 4.12Å; L204-H208 PolarHBondContact O-N 3.02Å; L204-H208 PolarHBondContact O-ND1 3.17Å; A206-H208 PolarHBondContact O-N 3.47Å; H208-L210 VanDerWaalsContact C-N 3.29Å; H208-L210 HydrophobicContact CB-CD1 3.83Å; H208-L210 HydrophobicContact CB-CG 3.74Å; H208-L210 WeakPolarHBondContact O-CG 3.31Å; H208-L210 PolarHBondContact O-N 3.24Å
209S98.3Very high97.9Very high109 Ų10956.4 Ų56.476%0.76231%0.306SS*.THydrogen-bonded Turntrans55.937.8-177.7-56.20000114.2Y205 A206Y205-S209 PolarHBondContact O-N 3.41Å; A206-S209 PolarHBondContact O-N 3.42Å
210L98.4Very high97.8Very high1 Ų154.8 Ų54.81%0.00530%0.298CS..  trans-101.66-176.1-56.7-178.7000113.8V83 L87 L94 C105 L109 Y205 H208 D212 L213V83-L210 HydrophobicContact CG1-CD1 3.84Å; V83-L210 HydrophobicContact CG2-CD1 4.1Å; L87-L210 HydrophobicContact CD1-CD1 4.35Å; L87-L210 HydrophobicContact CD2-CD2 4.09Å; L94-L210 HydrophobicContact CD2-CD2 4.02Å; C105-L210 HydrophobicContact CB-CD1 4.5Å; L109-L210 VanDerWaalsContact CD2-O 3.29Å; L109-L210 WeakPolarHBondContact CD2-O 3.46Å; Y205-L210 HydrophobicContact CD1-CB 3.56Å; Y205-L210 HydrophobicContact CE1-CB 4.2Å; Y205-L210 HydrophobicContact CG-CB 4.24Å; Y205-L210 PolarHBondContact O-N 3.37Å; H208-L210 VanDerWaalsContact C-N 3.29Å; H208-L210 HydrophobicContact CB-CD1 3.83Å; H208-L210 HydrophobicContact CB-CG 3.74Å; H208-L210 WeakPolarHBondContact O-CG 3.31Å; H208-L210 PolarHBondContact O-N 3.24Å; L210-D212 PolarHBondContact O-N 3.06Å; L210-L213 HydrophobicContact CB-CD1 4.06Å; L210-L213 HydrophobicContact CB-CG 4.21Å; L210-L213 HydrophobicContact CD2-CD1 4.28Å; L210-L213 HydrophobicContact CD2-CD2 4.08Å; L210-L213 HydrophobicContact CD2-CG 4.37Å; L210-L213 WeakPolarHBondContact O-CG 3.4Å
211L98.1Very high97.8Very high46 Ų4657.1 Ų57.124%0.24131%0.31CS..THydrogen-bonded Turntrans-68.4-16.7-175.1-70.9174.6000114.1R113 Q202 A206R113-L211 PolarHBondContact NH2-O 3.04Å; Q202-L211 VanDerWaalsContact NE2-CD2 3.33Å; A206-L211 HydrophobicContact CB-CD1 3.86Å; A206-L211 HydrophobicContact CB-CG 4.46Å
212D97.3Very high97.7Very high136 Ų13661.4 Ų61.473%0.72733%0.333SS*.THydrogen-bonded Turntrans-118.517.9-174.2-64.8-53.1000114L210L210-D212 PolarHBondContact O-N 3.06Å
213L96.7Very high97.6Very high5 Ų561.8 Ų61.83%0.02634%0.339CS..  trans-53140.1179.2-68.3175.8000112.6V92 L94 C105 R106 L109 R110 L210V92-L213 HydrophobicContact CG1-CD1 3.82Å; V92-L213 HydrophobicContact CG1-CD2 3.56Å; V92-L213 HydrophobicContact CG1-CG 4.34Å; L94-L213 HydrophobicContact CD2-CD2 3.77Å; C105-L213 HydrophobicContact CB-CD1 3.76Å; R106-L213 HydrophobicContact CB-CB 4.24Å; R106-L213 HydrophobicContact CB-CD1 4.22Å; L109-L213 HydrophobicContact CD2-CB 3.79Å; L109-L213 HydrophobicContact CD2-CG 4.39Å; R110-L213 PolarHBondContact NH1-O 3.08Å; R110-L213 VanDerWaalsContact NH1-O 3.13Å; R110-L213 PolarHBondContact NH2-O 3.4Å; L210-L213 HydrophobicContact CB-CD1 4.06Å; L210-L213 HydrophobicContact CB-CG 4.21Å; L210-L213 HydrophobicContact CD2-CD1 4.28Å; L210-L213 HydrophobicContact CD2-CD2 4.08Å; L210-L213 HydrophobicContact CD2-CG 4.37Å; L210-L213 WeakPolarHBondContact O-CG 3.4Å
214P91.5Very high97.5Very high50 Ų5055.5 Ų55.533%0.32532%0.318SS..  trans-74.90-17333.8-39.9000115.5D93 R97 R106 R110D93-P214 WeakPolarHBondContact O-CD 2.94Å; D93-P214 WeakPolarHBondContact O-CG 3.35Å; R97-P214 HydrophobicContact CG-CB 4Å; R97-P214 HydrophobicContact CG-CG 4.12Å; R106-P214 VanDerWaalsContact CZ-O 3.31Å; R106-P214 PolarHBondContact NE-O 3.03Å; R106-P214 PolarHBondContact NH2-O 3.44Å; R106-P214 PolarHBondContact NH2-OXT 3.06Å; R110-P214 PolarHBondContact NH2-O 2.68Å; R110-P214 PolarHBondContact NH2-OXT 2.82Å

Retrieved 214 of 214 residues in 72.6 ms (Link to these results)

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