A0A087XSC7_POEFO Loading...

Ceramide-1-phosphate transfer protein

AlphaFold DB , UniProt , Accession A0A087XSC7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 215 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
1M33.1Very low58Low252 Ų252112.7 Ų112.7100%1.24160%0.602SS**  082.60-70.3175.7136.300106.8
2A33.9Very low60.9Low100 Ų100109 Ų10983%0.82658%0.579SS**  trans-123.3139.4-174.400000108.1
3D36.2Very low63.4Low133 Ų133106.7 Ų106.771%0.71156%0.563SS**  trans80.580.8162.6-123.61.2000117.8N6D3-N6 WeakPolarHBondContact OD1-CB 3.35Å
4S44.4Very low65.5Low105 Ų10599.4 Ų99.473%0.73452%0.524SS*.SBendtrans-117.9-2.2157.274.20000113.4
5E43.9Very low67.4Low193 Ų19392.9 Ų92.990%0.90249%0.49SS*.SBendtrans-97.1-7.7-175.2-70.6-170.7157.900113.8
6N46.5Very low69.2Low129 Ų12992 Ų9269%0.6948%0.482SS*.  trans-119.411-172.7-147.216.4000115.6D3 K8D3-N6 WeakPolarHBondContact OD1-CB 3.35Å; N6-K8 PolarHBondContact O-N 3.39Å
7Q57.2Low70.8Confident122 Ų12288.2 Ų88.257%0.5747%0.465SS*.  trans-76.8113.5178.3-162169.3-2.900110E13Q7-E13 PolarHBondContact NE2-OE1 3.21Å
8K73.8Confident72Confident171 Ų17183.4 Ų83.474%0.74344%0.44SS*.  trans-52.2143172.6-71.9-176.6178-178.80109.8N6N6-K8 PolarHBondContact O-N 3.39Å
9F85.7Confident73.3Confident11 Ų1183.8 Ų83.85%0.04844%0.438CS..  trans-52.3145.5174.8173-102000111.1L11 V14 G39 K42 L43 V175 N177F9-L11 HydrophobicContact CE1-CB 4.04Å; F9-L11 HydrophobicContact CZ-CB 4.07Å; F9-L11 HydrophobicContact CZ-CD1 4.17Å; F9-V14 HydrophobicContact CE2-CG2 3.5Å; F9-V14 HydrophobicContact CZ-CG2 3.84Å; F9-G39 VanDerWaalsContact CD2-O 3.3Å; F9-G39 WeakPolarHBondContact CD2-O 3.48Å; F9-G39 WeakPolarHBondContact CE2-O 3.45Å; F9-K42 HydrophobicContact CB-CB 4.34Å; F9-K42 HydrophobicContact CD2-CB 3.82Å; F9-K42 HydrophobicContact CG-CB 4.48Å; F9-L43 HydrophobicContact CD1-CB 4.07Å; F9-L43 HydrophobicContact CD1-CD1 3.95Å; F9-L43 HydrophobicContact CD2-CB 4Å; F9-L43 HydrophobicContact CE1-CB 3.74Å; F9-L43 HydrophobicContact CE1-CD1 3.63Å; F9-L43 HydrophobicContact CE1-CD2 4.25Å; F9-L43 HydrophobicContact CE1-CG 4.06Å; F9-L43 HydrophobicContact CE2-CB 3.66Å; F9-L43 HydrophobicContact CG-CB 4.2Å; F9-L43 HydrophobicContact CZ-CB 3.53Å; F9-L43 HydrophobicContact CZ-CD1 4.24Å; F9-L43 HydrophobicContact CZ-CD2 4.12Å; F9-L43 HydrophobicContact CZ-CG 4.16Å; F9-V175 WeakPolarHBondContact CD1-O 3.32Å; F9-N177 WeakPolarHBondContact O-CB 3.24Å; F9-N177 PolarHBondContact O-ND2 2.69Å; F9-N177 VanDerWaalsContact O-ND2 3.09Å
10C90.8Very high74.5Confident22 Ų2282.8 Ų82.815%0.14944%0.437CS..  trans-141.9122.7172.1179.10000109.4Q12 E13C10-Q12 PolarHBondContact O-N 3.43Å; C10-E13 HydrophobicContact CB-CG 4.03Å; C10-E13 PolarHBondContact O-N 3.03Å
11L92.2Very high75.5Confident2 Ų278.8 Ų78.81%0.0142%0.417CS..Hα-helixtrans-64.3-29-179.6-178.566.1000112.3F9 E13 V14 L15 M176 V178 V187 L188F9-L11 HydrophobicContact CE1-CB 4.04Å; F9-L11 HydrophobicContact CZ-CB 4.07Å; F9-L11 HydrophobicContact CZ-CD1 4.17Å; L11-E13 VanDerWaalsContact C-N 3.29Å; L11-E13 PolarHBondContact O-N 3.25Å; L11-V14 HydrophobicContact CD1-CB 4.39Å; L11-V14 WeakPolarHBondContact O-CB 3.46Å; L11-V14 PolarHBondContact O-N 3.44Å; L11-L15 PolarHBondContact O-N 2.89Å; L11-L15 VanDerWaalsContact O-N 3.08Å; L11-M176 HydrophobicContact CB-CB 4.13Å; L11-M176 HydrophobicContact CD2-CB 4.46Å; L11-M176 HydrophobicContact CD2-CG 4.41Å; L11-M176 HydrophobicContact CD2-SD 3.7Å; L11-M176 PolarHBondContact N-O 3.12Å; L11-V178 HydrophobicContact CB-CG1 3.9Å; L11-V187 HydrophobicContact CB-CG1 4.41Å; L11-V187 HydrophobicContact CD2-CB 4.32Å; L11-V187 HydrophobicContact CD2-CG1 3.69Å; L11-V187 HydrophobicContact CG-CG1 3.79Å; L11-L188 HydrophobicContact CD2-CD2 3.63Å; L11-L188 HydrophobicContact CD2-CG 3.89Å
12Q93.4Very high78.6Confident68 Ų6868.2 Ų68.232%0.31837%0.365SS..Hα-helixtrans-61.2-38.8177.2-169.465.935.300111.8C10 V14 L15 E16 V178C10-Q12 PolarHBondContact O-N 3.43Å; Q12-V14 VanDerWaalsContact C-N 3.29Å; Q12-V14 PolarHBondContact O-N 3.37Å; Q12-L15 WeakPolarHBondContact O-CB 3.36Å; Q12-L15 PolarHBondContact O-N 3.16Å; Q12-E16 PolarHBondContact NE2-OE1 3.08Å; Q12-E16 WeakPolarHBondContact O-CG 3.15Å; Q12-E16 PolarHBondContact O-N 2.81Å; Q12-V178 HydrophobicContact CB-CG1 4.28Å
13E92.8Very high81.5Confident79 Ų7963.9 Ų63.937%0.36933%0.328SS..Hα-helixtrans-65.1-34.6178.2-64.9176.9-178.100112Q7 C10 L11 S17Q7-E13 PolarHBondContact NE2-OE1 3.21Å; C10-E13 HydrophobicContact CB-CG 4.03Å; C10-E13 PolarHBondContact O-N 3.03Å; L11-E13 VanDerWaalsContact C-N 3.29Å; L11-E13 PolarHBondContact O-N 3.25Å; E13-S17 WeakPolarHBondContact O-CB 3.19Å; E13-S17 PolarHBondContact O-N 3.2Å; E13-S17 PolarHBondContact O-OG 3.45Å
14V92.9Very high84.3Confident4 Ų463.3 Ų63.32%0.02433%0.332CS..Hα-helixtrans-63.9-48.2173178.70000110.1F9 L11 Q12 E16 S17 F18 L40F9-V14 HydrophobicContact CE2-CG2 3.5Å; F9-V14 HydrophobicContact CZ-CG2 3.84Å; L11-V14 HydrophobicContact CD1-CB 4.39Å; L11-V14 WeakPolarHBondContact O-CB 3.46Å; L11-V14 PolarHBondContact O-N 3.44Å; Q12-V14 VanDerWaalsContact C-N 3.29Å; Q12-V14 PolarHBondContact O-N 3.37Å; V14-E16 PolarHBondContact O-N 3.44Å; V14-S17 WeakPolarHBondContact O-CB 3.07Å; V14-S17 PolarHBondContact O-N 2.75Å; V14-F18 HydrophobicContact CG1-CD2 3.73Å; V14-F18 HydrophobicContact CG1-CE2 3.78Å; V14-F18 WeakPolarHBondContact O-CD2 3.22Å; V14-F18 PolarHBondContact O-N 3.35Å; V14-L40 HydrophobicContact CG1-CD2 3.86Å; V14-L40 HydrophobicContact CG1-CG 3.91Å
15L94.2Very high86.7Confident2 Ų265 Ų651%0.0133%0.328CS..Hα-helixtrans-57-49.4178171.258.9000111.3L11 Q12 S17 F18 K19 V187 K190 A191 L194L11-L15 PolarHBondContact O-N 2.89Å; L11-L15 VanDerWaalsContact O-N 3.08Å; Q12-L15 WeakPolarHBondContact O-CB 3.36Å; Q12-L15 PolarHBondContact O-N 3.16Å; L15-S17 VanDerWaalsContact C-N 3.3Å; L15-S17 PolarHBondContact O-N 2.8Å; L15-F18 PolarHBondContact O-N 3.34Å; L15-K19 HydrophobicContact CD1-CD 4.47Å; L15-K19 HydrophobicContact CD1-CG 4.27Å; L15-K19 HydrophobicContact CG-CD 4.48Å; L15-K19 WeakPolarHBondContact O-CG 3.27Å; L15-K19 PolarHBondContact O-N 2.78Å; L15-V187 HydrophobicContact CD2-CG1 4.2Å; L15-K190 HydrophobicContact CD1-CB 4.41Å; L15-K190 HydrophobicContact CD2-CB 3.99Å; L15-A191 HydrophobicContact CB-CB 4.45Å; L15-A191 HydrophobicContact CD1-CB 4.07Å; L15-L194 HydrophobicContact CD1-CD2 3.87Å
16E95.8Very high89.1Confident79 Ų7961.5 Ų61.537%0.36931%0.31SS..Hα-helixtrans-63.1-37.4178.8-62.6-46.5129.600112.1Q12 V14 F18 K19 S20Q12-E16 PolarHBondContact NE2-OE1 3.08Å; Q12-E16 WeakPolarHBondContact O-CG 3.15Å; Q12-E16 PolarHBondContact O-N 2.81Å; V14-E16 PolarHBondContact O-N 3.44Å; E16-F18 PolarHBondContact O-N 2.9Å; E16-K19 PolarHBondContact O-N 3.38Å; E16-K19 IonicContact OE1-NZ 2.74Å; E16-K19 PolarHBondContact OE1-NZ 3.1Å; E16-K19 WeakPolarHBondContact OE2-CD 3.45Å; E16-K19 IonicContact OE2-NZ 3.41Å; E16-K19 PolarHBondContact OE2-NZ 2.87Å; E16-S20 PolarHBondContact O-N 3.2Å; E16-S20 PolarHBondContact O-OG 3.26Å
17S96.1Very high91.6Very high27 Ų2758.8 Ų58.819%0.18929%0.293CS..Hα-helixtrans-62.4-44.5175.7-60.50000112.2E13 V14 L15 K19 S20 C21E13-S17 WeakPolarHBondContact O-CB 3.19Å; E13-S17 PolarHBondContact O-N 3.2Å; E13-S17 PolarHBondContact O-OG 3.45Å; V14-S17 WeakPolarHBondContact O-CB 3.07Å; V14-S17 PolarHBondContact O-N 2.75Å; L15-S17 VanDerWaalsContact C-N 3.3Å; L15-S17 PolarHBondContact O-N 2.8Å; S17-K19 VanDerWaalsContact C-N 3.31Å; S17-K19 PolarHBondContact O-N 3.16Å; S17-S20 PolarHBondContact O-N 3.43Å; S17-C21 PolarHBondContact O-N 2.86Å
18F93.5Very high93.5Very high2 Ų253 Ų531%0.00927%0.266CS..Hα-helixtrans-71-26.3177-82-76.9000112.8V14 L15 E16 C21 Y33 L40 L116 L194 L195 V198V14-F18 HydrophobicContact CG1-CD2 3.73Å; V14-F18 HydrophobicContact CG1-CE2 3.78Å; V14-F18 WeakPolarHBondContact O-CD2 3.22Å; V14-F18 PolarHBondContact O-N 3.35Å; L15-F18 PolarHBondContact O-N 3.34Å; E16-F18 PolarHBondContact O-N 2.9Å; F18-C21 PolarHBondContact O-N 3.23Å; F18-C21 PolarHBondContact O-SG 3.39Å; F18-Y33 HydrophobicContact CE1-CD2 4.01Å; F18-Y33 HydrophobicContact CE1-CE2 4.19Å; F18-L40 HydrophobicContact CE2-CD1 3.66Å; F18-L40 HydrophobicContact CE2-CG 4.25Å; F18-L40 HydrophobicContact CZ-CD1 3.8Å; F18-L116 HydrophobicContact CE1-CD1 4.47Å; F18-L116 HydrophobicContact CZ-CD1 4.16Å; F18-L194 HydrophobicContact CB-CD2 3.75Å; F18-L194 HydrophobicContact CB-CG 4.19Å; F18-L195 HydrophobicContact CB-CD2 4.31Å; F18-L195 HydrophobicContact CD1-CD2 3.59Å; F18-L195 HydrophobicContact CD2-CD2 3.44Å; F18-L195 VanDerWaalsContact CD2-CD2 3.44Å; F18-L195 HydrophobicContact CE1-CD2 3.62Å; F18-L195 HydrophobicContact CE2-CD2 3.47Å; F18-L195 VanDerWaalsContact CE2-CD2 3.47Å; F18-L195 HydrophobicContact CG-CD2 3.5Å; F18-L195 VanDerWaalsContact CG-CD2 3.5Å; F18-L195 HydrophobicContact CZ-CD2 3.56Å; F18-V198 HydrophobicContact CD1-CG2 4.47Å
19K96Very high94.7Very high92 Ų9249 Ų4940%0.425%0.247SC..Hα-helixtrans-67.2-48173-75.4175.4-176.2166.30110.3L15 E16 S17 C21 L22 L194L15-K19 HydrophobicContact CD1-CD 4.47Å; L15-K19 HydrophobicContact CD1-CG 4.27Å; L15-K19 HydrophobicContact CG-CD 4.48Å; L15-K19 WeakPolarHBondContact O-CG 3.27Å; L15-K19 PolarHBondContact O-N 2.78Å; E16-K19 PolarHBondContact O-N 3.38Å; E16-K19 IonicContact OE1-NZ 2.74Å; E16-K19 PolarHBondContact OE1-NZ 3.1Å; E16-K19 WeakPolarHBondContact OE2-CD 3.45Å; E16-K19 IonicContact OE2-NZ 3.41Å; E16-K19 PolarHBondContact OE2-NZ 2.87Å; S17-K19 VanDerWaalsContact C-N 3.31Å; S17-K19 PolarHBondContact O-N 3.16Å; K19-C21 PolarHBondContact O-N 3.11Å; K19-L22 PolarHBondContact O-N 3.29Å; K19-L194 HydrophobicContact CB-CD2 4.22Å; K19-L194 HydrophobicContact CG-CD2 3.51Å
20S97.2Very high95.3Very high62 Ų6248.5 Ų48.543%0.43425%0.245SC..Hα-helixtrans-65.4-21.6177.8-58.60000112.8E16 S17 L22 H32E16-S20 PolarHBondContact O-N 3.2Å; E16-S20 PolarHBondContact O-OG 3.26Å; S17-S20 PolarHBondContact O-N 3.43Å; S20-L22 VanDerWaalsContact C-N 3.32Å; S20-L22 PolarHBondContact O-N 2.82Å; S20-H32 PolarHBondContact O-CD2 3.48Å
21C96.6Very high95.7Very high0 Ų052.8 Ų52.80%026%0.263CS..Hα-helixtrans-75-19.3179.190.70000114S17 F18 K19 I28 Y29 H32S17-C21 PolarHBondContact O-N 2.86Å; F18-C21 PolarHBondContact O-N 3.23Å; F18-C21 PolarHBondContact O-SG 3.39Å; K19-C21 PolarHBondContact O-N 3.11Å; C21-I28 CarbonylContact O-C 3.44Å; C21-I28 VanDerWaalsContact O-CA 3.24Å; C21-I28 WeakPolarHBondContact O-CA 3.34Å; C21-Y29 PolarHBondContact O-N 3.25Å; C21-H32 VanDerWaalsContact CA-CB 3.5Å; C21-H32 HydrophobicContact CB-CB 3.51Å
22L96.9Very high95.9Very high30 Ų3055.9 Ų55.916%0.15728%0.277CS..BIsolated β-bridgetrans-107120.3-175.9-176.161.5000110.8K19 S20 I28 L194 E197 I201K19-L22 PolarHBondContact O-N 3.29Å; S20-L22 VanDerWaalsContact C-N 3.32Å; S20-L22 PolarHBondContact O-N 2.82Å; L22-I28 HydrophobicContact CD1-CG1 4.39Å; L22-L194 HydrophobicContact CD2-CD1 4.23Å; L22-E197 VanDerWaalsContact CD2-CD 3.49Å; L22-E197 HydrophobicContact CD2-CG 3.83Å; L22-I201 HydrophobicContact CD1-CD1 3.44Å; L22-I201 VanDerWaalsContact CD1-CD1 3.44Å; L22-I201 HydrophobicContact CD2-CD1 4.39Å
23S96.2Very high96.1Very high8 Ų852.7 Ų52.76%0.05626%0.262CS..  trans-80.6161.9174.786.10000112.2E25 K26 E27S23-E25 PolarHBondContact O-N 2.9Å; S23-E25 PolarHBondContact OG-N 3.31Å; S23-E25 PolarHBondContact OG-OE2 2.97Å; S23-K26 PolarHBondContact O-N 2.9Å; S23-K26 PolarHBondContact OG-N 2.96Å; S23-E27 PolarHBondContact N-O 3.41Å; S23-E27 WeakPolarHBondContact OG-CB 3.26Å; S23-E27 PolarHBondContact OG-N 3.37Å
24P93.9Very high96.4Very high122 Ų12248.9 Ų48.979%0.79224%0.244SC*.THydrogen-bonded Turntrans-56.2-30.6171-24.435000113.7K26P24-K26 PolarHBondContact O-N 3.41Å
25E95.2Very high96.5Very high139 Ų13950.9 Ų50.965%0.6526%0.259SS*.THydrogen-bonded Turntrans-83.58.5177.5-59.970.8-150.900113.2S23 E27S23-E25 PolarHBondContact O-N 2.9Å; S23-E25 PolarHBondContact OG-N 3.31Å; S23-E25 PolarHBondContact OG-OE2 2.97Å; E25-E27 VanDerWaalsContact C-N 3.28Å; E25-E27 PolarHBondContact O-N 2.97Å
26K95.1Very high96.6Very high121 Ų12150.8 Ų50.853%0.52626%0.258SS..  trans63.429.4-177.3-58.3-174.4173-171.70114.1S23 P24 Q81 I201S23-K26 PolarHBondContact O-N 2.9Å; S23-K26 PolarHBondContact OG-N 2.96Å; P24-K26 PolarHBondContact O-N 3.41Å; K26-Q81 PolarHBondContact O-NE2 3.42Å; K26-I201 HydrophobicContact CB-CD1 3.84Å; K26-I201 HydrophobicContact CB-CG1 4.37Å; K26-I201 HydrophobicContact CD-CD1 4.29Å; K26-I201 HydrophobicContact CD-CG1 4.47Å; K26-I201 HydrophobicContact CG-CD1 4.15Å; K26-I201 WeakPolarHBondContact O-CG2 3.21Å
27E97.6Very high96.6Very high72 Ų7247.2 Ų47.234%0.33624%0.241SC..  trans-83.8143.8167.2-60.3-162.411900110.8S23 E25 T79S23-E27 PolarHBondContact N-O 3.41Å; S23-E27 WeakPolarHBondContact OG-CB 3.26Å; S23-E27 PolarHBondContact OG-N 3.37Å; E25-E27 VanDerWaalsContact C-N 3.28Å; E25-E27 PolarHBondContact O-N 2.97Å; E27-T79 HydrophobicContact CB-CG2 4.04Å
28I98.5Very high96.4Very high0 Ų050 Ų500%025%0.25CC..BIsolated β-bridgetrans-106.7106.5-179.6-59.9166.9000109C21 L22 I30 Y33 T79 V80 V198 I201 T202C21-I28 CarbonylContact O-C 3.44Å; C21-I28 VanDerWaalsContact O-CA 3.24Å; C21-I28 WeakPolarHBondContact O-CA 3.34Å; L22-I28 HydrophobicContact CD1-CG1 4.39Å; I28-I30 PolarHBondContact O-N 2.74Å; I28-Y33 HydrophobicContact CG2-CD2 4.02Å; I28-Y33 HydrophobicContact CG2-CG 4.39Å; I28-T79 CarbonylContact O-C 3.5Å; I28-T79 WeakPolarHBondContact O-CA 3.4Å; I28-T79 WeakPolarHBondContact O-CB 3.47Å; I28-V80 HydrophobicContact CB-CB 4.13Å; I28-V80 HydrophobicContact CB-CG2 3.75Å; I28-V80 HydrophobicContact CG2-CG2 3.74Å; I28-V80 PolarHBondContact O-N 2.68Å; I28-V198 HydrophobicContact CD1-CG1 4Å; I28-V198 WeakPolarHBondContact CD1-O 3.49Å; I28-V198 HydrophobicContact CG1-CG1 4.46Å; I28-V198 HydrophobicContact CG2-CG1 4.33Å; I28-I201 HydrophobicContact CD1-CB 4.01Å; I28-I201 HydrophobicContact CD1-CG2 3.69Å; I28-I201 HydrophobicContact CG1-CG2 4.13Å; I28-T202 WeakPolarHBondContact CD1-OG1 3.28Å
29Y98.5Very high96.4Very high87 Ų8750.5 Ų50.534%0.34126%0.256SS..BIsolated β-bridgetrans-69.4117.8175.4-65.2-67.8000111.1C21 E31 H32 Y33 A78 T79C21-Y29 PolarHBondContact O-N 3.25Å; Y29-E31 VanDerWaalsContact C-N 3.32Å; Y29-E31 PolarHBondContact O-N 3.19Å; Y29-H32 PolarHBondContact O-N 3.39Å; Y29-Y33 WeakPolarHBondContact O-CB 3.49Å; Y29-Y33 PolarHBondContact O-N 3.16Å; Y29-A78 WeakPolarHBondContact CA-O 3.46Å; Y29-T79 HydrophobicContact CD1-CG2 3.68Å; Y29-T79 HydrophobicContact CE1-CG2 3.77Å
30I98.4Very high96.2Very high0 Ų046.2 Ų46.20%024%0.237CC..Hα-helixtrans-65.6-36.1-173.2-69.6176.6000111.3I28 H32 Y33 V34 L65 L69 Y77 A78 V80 M83I28-I30 PolarHBondContact O-N 2.74Å; I30-H32 PolarHBondContact O-N 2.98Å; I30-Y33 PolarHBondContact O-N 3.41Å; I30-V34 HydrophobicContact CG2-CG2 4.06Å; I30-V34 WeakPolarHBondContact O-CB 3.46Å; I30-V34 VanDerWaalsContact O-CG2 3.3Å; I30-V34 WeakPolarHBondContact O-CG2 3.38Å; I30-V34 PolarHBondContact O-N 2.79Å; I30-L65 HydrophobicContact CG2-CB 4.07Å; I30-L65 HydrophobicContact CG2-CD1 4.38Å; I30-L69 HydrophobicContact CB-CD1 4.19Å; I30-L69 HydrophobicContact CG2-CD1 3.73Å; I30-L69 HydrophobicContact CG2-CG 4.26Å; I30-Y77 VanDerWaalsContact CD1-O 3.31Å; I30-Y77 WeakPolarHBondContact CD1-O 3.44Å; I30-A78 PolarHBondContact N-O 2.9Å; I30-V80 HydrophobicContact CD1-CG2 4.36Å; I30-V80 HydrophobicContact CG1-CG2 3.88Å; I30-M83 HydrophobicContact CD1-CB 4.02Å; I30-M83 HydrophobicContact CD1-CE 4.48Å; I30-M83 HydrophobicContact CD1-CG 4.49Å; I30-M83 HydrophobicContact CD1-SD 3.81Å
31E97.7Very high95.9Very high113 Ų11343.7 Ų43.753%0.52822%0.219SC..Hα-helixtrans-58.5-48.8179.5179.2174.9-160.300112.2Y29 S35 L69Y29-E31 VanDerWaalsContact C-N 3.32Å; Y29-E31 PolarHBondContact O-N 3.19Å; E31-S35 PolarHBondContact O-N 3.15Å; E31-S35 PolarHBondContact O-OG 3.49Å; E31-L69 HydrophobicContact CB-CD1 4.14Å
32H98Very high95.5Very high67 Ų6748 Ų4831%0.3124%0.238SC..Hα-helixtrans-73.2-36.4178.8-65.8-47.2000112.1S20 C21 Y29 I30 V34 S35 G36S20-H32 PolarHBondContact O-CD2 3.48Å; C21-H32 VanDerWaalsContact CA-CB 3.5Å; C21-H32 HydrophobicContact CB-CB 3.51Å; Y29-H32 PolarHBondContact O-N 3.39Å; I30-H32 PolarHBondContact O-N 2.98Å; H32-V34 VanDerWaalsContact C-N 3.35Å; H32-V34 PolarHBondContact O-N 3.31Å; H32-S35 WeakPolarHBondContact O-CB 3.4Å; H32-S35 PolarHBondContact O-N 3.38Å; H32-S35 VanDerWaalsContact O-N 3.15Å; H32-G36 PolarHBondContact O-N 3.3Å
33Y97.9Very high95.1Very high0 Ų046.7 Ų46.70%023%0.231CC..Hα-helixtrans-58.4-46.8172.7180-91.8000111.6F18 I28 Y29 I30 S35 G36 W37 L109 L112 L116 V198F18-Y33 HydrophobicContact CE1-CD2 4.01Å; F18-Y33 HydrophobicContact CE1-CE2 4.19Å; I28-Y33 HydrophobicContact CG2-CD2 4.02Å; I28-Y33 HydrophobicContact CG2-CG 4.39Å; Y29-Y33 WeakPolarHBondContact O-CB 3.49Å; Y29-Y33 PolarHBondContact O-N 3.16Å; I30-Y33 PolarHBondContact O-N 3.41Å; Y33-S35 VanDerWaalsContact C-N 3.32Å; Y33-S35 PolarHBondContact O-N 3.12Å; Y33-G36 PolarHBondContact O-N 3.01Å; Y33-W37 AromaticContact CD1-CD1 3.65Å; Y33-W37 AromaticContact CE1-CD1 3.18Å; Y33-W37 HydrophobicContact CE1-CG 4.44Å; Y33-W37 AromaticContact CE1-NE1 3.21Å; Y33-W37 AromaticContact CE2-NE1 3.9Å; Y33-W37 AromaticContact CZ-CD1 3.51Å; Y33-W37 AromaticContact CZ-NE1 3.08Å; Y33-W37 PolarHBondContact O-N 3.21Å; Y33-W37 PolarHBondContact OH-NE1 3.24Å; Y33-L109 HydrophobicContact CD1-CD1 3.97Å; Y33-L109 HydrophobicContact CE1-CD1 3.41Å; Y33-L109 VanDerWaalsContact CE1-CD1 3.41Å; Y33-L112 HydrophobicContact CE1-CB 4.33Å; Y33-L112 HydrophobicContact CE1-CD1 4.2Å; Y33-L116 HydrophobicContact CE2-CD2 4.17Å; Y33-V198 HydrophobicContact CD2-CG1 3.91Å; Y33-V198 HydrophobicContact CE2-CG1 3.85Å
34V97.4Very high94.5Very high0 Ų046.7 Ų46.70%023%0.23CC..Hα-helixtrans-63.5-39175.1167.60000111.2I30 H32 G36 W37 K38 T62 L65 M66I30-V34 HydrophobicContact CG2-CG2 4.06Å; I30-V34 WeakPolarHBondContact O-CB 3.46Å; I30-V34 VanDerWaalsContact O-CG2 3.3Å; I30-V34 WeakPolarHBondContact O-CG2 3.38Å; I30-V34 PolarHBondContact O-N 2.79Å; H32-V34 VanDerWaalsContact C-N 3.35Å; H32-V34 PolarHBondContact O-N 3.31Å; V34-G36 VanDerWaalsContact C-N 3.35Å; V34-G36 PolarHBondContact O-N 3.25Å; V34-W37 PolarHBondContact O-N 3.43Å; V34-K38 HydrophobicContact CG1-CD 4.24Å; V34-K38 HydrophobicContact CG1-CG 4.42Å; V34-K38 WeakPolarHBondContact O-CG 3.39Å; V34-K38 PolarHBondContact O-N 3.49Å; V34-T62 HydrophobicContact CG1-CG2 4.16Å; V34-L65 HydrophobicContact CG2-CB 3.93Å; V34-L65 HydrophobicContact CG2-CD1 4.13Å; V34-M66 HydrophobicContact CB-CG 4.48Å; V34-M66 HydrophobicContact CB-SD 4.03Å; V34-M66 HydrophobicContact CG1-CG 3.65Å; V34-M66 HydrophobicContact CG1-SD 3.64Å; V34-M66 HydrophobicContact CG2-SD 4.39Å
35S96.4Very high94.1Very high46 Ų4644.2 Ų44.232%0.32221%0.211SC..Hα-helixtrans-61.6-43.1176.2-60.50000111.8E31 H32 Y33 W37 K38 G39E31-S35 PolarHBondContact O-N 3.15Å; E31-S35 PolarHBondContact O-OG 3.49Å; H32-S35 WeakPolarHBondContact O-CB 3.4Å; H32-S35 PolarHBondContact O-N 3.38Å; H32-S35 VanDerWaalsContact O-N 3.15Å; Y33-S35 VanDerWaalsContact C-N 3.32Å; Y33-S35 PolarHBondContact O-N 3.12Å; S35-W37 PolarHBondContact O-N 3.24Å; S35-K38 PolarHBondContact O-N 2.93Å; S35-G39 PolarHBondContact O-N 3.44Å; S35-G39 VanDerWaalsContact O-N 3.12Å
36G95.4Very high93.6Very high0 Ų040.7 Ų40.70%020%0.201CC..Hα-helixtrans-60-44.9172.800000112.4H32 Y33 V34 K38 G39 L40H32-G36 PolarHBondContact O-N 3.3Å; Y33-G36 PolarHBondContact O-N 3.01Å; V34-G36 VanDerWaalsContact C-N 3.35Å; V34-G36 PolarHBondContact O-N 3.25Å; G36-K38 PolarHBondContact O-N 2.93Å; G36-G39 PolarHBondContact O-N 3.37Å; G36-L40 WeakPolarHBondContact O-CG 3.39Å; G36-L40 PolarHBondContact O-N 2.94Å
37W95.3Very high92.7Very high3 Ų335.6 Ų35.61%0.01118%0.18CC..Hα-helixtrans-61.6-40.1174.8-93103.7000114Y33 V34 S35 G39 L40 V41 A58 T62 L112 A115 L116 L119Y33-W37 AromaticContact CD1-CD1 3.65Å; Y33-W37 AromaticContact CE1-CD1 3.18Å; Y33-W37 HydrophobicContact CE1-CG 4.44Å; Y33-W37 AromaticContact CE1-NE1 3.21Å; Y33-W37 AromaticContact CE2-NE1 3.9Å; Y33-W37 AromaticContact CZ-CD1 3.51Å; Y33-W37 AromaticContact CZ-NE1 3.08Å; Y33-W37 PolarHBondContact O-N 3.21Å; Y33-W37 PolarHBondContact OH-NE1 3.24Å; V34-W37 PolarHBondContact O-N 3.43Å; S35-W37 PolarHBondContact O-N 3.24Å; W37-G39 VanDerWaalsContact C-N 3.27Å; W37-G39 PolarHBondContact O-N 3.34Å; W37-L40 HydrophobicContact CD2-CD1 4.38Å; W37-L40 HydrophobicContact CE3-CB 4.4Å; W37-L40 HydrophobicContact CE3-CD1 4.33Å; W37-L40 PolarHBondContact O-N 2.9Å; W37-V41 WeakPolarHBondContact O-CB 3.37Å; W37-V41 WeakPolarHBondContact O-CG2 3.33Å; W37-V41 PolarHBondContact O-N 3.38Å; W37-A58 HydrophobicContact CE3-CB 4.18Å; W37-A58 HydrophobicContact CZ3-CB 4.21Å; W37-T62 HydrophobicContact CB-CG2 3.54Å; W37-T62 HydrophobicContact CG-CG2 4.17Å; W37-L112 HydrophobicContact CD2-CD2 3.98Å; W37-L112 HydrophobicContact CE3-CD2 4.2Å; W37-L112 HydrophobicContact CG-CD2 4.42Å; W37-L112 HydrophobicContact CZ2-CB 4.08Å; W37-L112 HydrophobicContact CZ2-CD2 4.4Å; W37-L112 WeakPolarHBondContact CZ2-O 3.22Å; W37-A115 HydrophobicContact CH2-CB 3.59Å; W37-A115 HydrophobicContact CZ2-CB 4.32Å; W37-A115 HydrophobicContact CZ3-CB 4.4Å; W37-L116 HydrophobicContact CZ2-CB 3.79Å; W37-L116 HydrophobicContact CZ2-CD1 3.81Å; W37-L116 HydrophobicContact CZ2-CG 4.38Å; W37-L119 HydrophobicContact CH2-CD1 3.69Å; W37-L119 HydrophobicContact CZ3-CD1 3.67Å
38K93.6Very high91.6Very high86 Ų8633.6 Ų33.637%0.37418%0.178SC..Hα-helixtrans-60.8-39.8174.8-75.1173.3177.61750111.2V34 S35 G36 V41 K42V34-K38 HydrophobicContact CG1-CD 4.24Å; V34-K38 HydrophobicContact CG1-CG 4.42Å; V34-K38 WeakPolarHBondContact O-CG 3.39Å; V34-K38 PolarHBondContact O-N 3.49Å; S35-K38 PolarHBondContact O-N 2.93Å; G36-K38 PolarHBondContact O-N 2.93Å; K38-V41 PolarHBondContact O-N 3.46Å; K38-K42 WeakPolarHBondContact O-CG 3.19Å; K38-K42 PolarHBondContact O-N 3.26Å
39G92.8Very high90.2Very high13 Ų1339.1 Ų39.113%0.13422%0.217CC..Hα-helixtrans-63.7-46.8172.300000112.4F9 S35 G36 W37 V41 K42 L43F9-G39 VanDerWaalsContact CD2-O 3.3Å; F9-G39 WeakPolarHBondContact CD2-O 3.48Å; F9-G39 WeakPolarHBondContact CE2-O 3.45Å; S35-G39 PolarHBondContact O-N 3.44Å; S35-G39 VanDerWaalsContact O-N 3.12Å; G36-G39 PolarHBondContact O-N 3.37Å; W37-G39 VanDerWaalsContact C-N 3.27Å; W37-G39 PolarHBondContact O-N 3.34Å; G39-V41 VanDerWaalsContact C-N 3.29Å; G39-V41 PolarHBondContact O-N 2.83Å; G39-K42 WeakPolarHBondContact O-CA 3.28Å; G39-K42 WeakPolarHBondContact O-CB 3.3Å; G39-K42 PolarHBondContact O-N 3.21Å; G39-L43 PolarHBondContact O-N 3.22Å
40L91.4Very high88.6Confident2 Ų239.7 Ų39.71%0.0123%0.225CC..Hα-helixtrans-59-38.3175.2-68.8169.7000112.6V14 F18 G36 W37 L43 L44 L116 L119V14-L40 HydrophobicContact CG1-CD2 3.86Å; V14-L40 HydrophobicContact CG1-CG 3.91Å; F18-L40 HydrophobicContact CE2-CD1 3.66Å; F18-L40 HydrophobicContact CE2-CG 4.25Å; F18-L40 HydrophobicContact CZ-CD1 3.8Å; G36-L40 WeakPolarHBondContact O-CG 3.39Å; G36-L40 PolarHBondContact O-N 2.94Å; W37-L40 HydrophobicContact CD2-CD1 4.38Å; W37-L40 HydrophobicContact CE3-CB 4.4Å; W37-L40 HydrophobicContact CE3-CD1 4.33Å; W37-L40 PolarHBondContact O-N 2.9Å; L40-L43 WeakPolarHBondContact O-CB 3.4Å; L40-L43 PolarHBondContact O-N 3.31Å; L40-L44 WeakPolarHBondContact O-CG 3.38Å; L40-L44 PolarHBondContact O-N 2.98Å; L40-L116 HydrophobicContact CD1-CD1 4.19Å; L40-L119 HydrophobicContact CB-CD1 4.27Å; L40-L119 HydrophobicContact CD1-CD1 3.9Å; L40-L119 HydrophobicContact CD2-CD1 4.41Å; L40-L119 HydrophobicContact CG-CD1 4.43Å
41V90.4Very high87.1Confident9 Ų939.7 Ų39.76%0.05523%0.225CC..Hα-helixtrans-62.9-42.6173161.70000111.3W37 K38 G39 L43 L44 N45 A58 V59W37-V41 WeakPolarHBondContact O-CB 3.37Å; W37-V41 WeakPolarHBondContact O-CG2 3.33Å; W37-V41 PolarHBondContact O-N 3.38Å; K38-V41 PolarHBondContact O-N 3.46Å; G39-V41 VanDerWaalsContact C-N 3.29Å; G39-V41 PolarHBondContact O-N 2.83Å; V41-L43 VanDerWaalsContact C-N 3.34Å; V41-L43 PolarHBondContact O-N 3.38Å; V41-L44 PolarHBondContact O-N 2.94Å; V41-N45 WeakPolarHBondContact O-CB 3.46Å; V41-N45 PolarHBondContact O-N 2.96Å; V41-N45 PolarHBondContact O-ND2 3.2Å; V41-A58 HydrophobicContact CG2-CB 3.88Å; V41-V59 HydrophobicContact CB-CG2 4.46Å; V41-V59 HydrophobicContact CG1-CG2 3.55Å; V41-V59 HydrophobicContact CG2-CG2 4.16Å
42K89.9Confident85.6Confident89 Ų8935.2 Ų35.239%0.38721%0.209SC..Hα-helixtrans-59.4-44.8175.5-73.5177.6-180-173.60111F9 K38 G39 L44 N45 S46F9-K42 HydrophobicContact CB-CB 4.34Å; F9-K42 HydrophobicContact CD2-CB 3.82Å; F9-K42 HydrophobicContact CG-CB 4.48Å; K38-K42 WeakPolarHBondContact O-CG 3.19Å; K38-K42 PolarHBondContact O-N 3.26Å; G39-K42 WeakPolarHBondContact O-CA 3.28Å; G39-K42 WeakPolarHBondContact O-CB 3.3Å; G39-K42 PolarHBondContact O-N 3.21Å; K42-L44 PolarHBondContact O-N 3.24Å; K42-N45 PolarHBondContact O-N 3.37Å; K42-S46 PolarHBondContact O-N 2.92Å; K42-S46 PolarHBondContact O-OG 3.4Å; K42-S46 VanDerWaalsContact O-OG 3.09Å
43L87.9Confident83.9Confident4 Ų439.2 Ų39.22%0.02123%0.226CC..Hα-helixtrans-53.4-53.6173.2173.656.6000111.1F9 G39 L40 V41 N45 S46 L47 F172 V175 M176F9-L43 HydrophobicContact CD1-CB 4.07Å; F9-L43 HydrophobicContact CD1-CD1 3.95Å; F9-L43 HydrophobicContact CD2-CB 4Å; F9-L43 HydrophobicContact CE1-CB 3.74Å; F9-L43 HydrophobicContact CE1-CD1 3.63Å; F9-L43 HydrophobicContact CE1-CD2 4.25Å; F9-L43 HydrophobicContact CE1-CG 4.06Å; F9-L43 HydrophobicContact CE2-CB 3.66Å; F9-L43 HydrophobicContact CG-CB 4.2Å; F9-L43 HydrophobicContact CZ-CB 3.53Å; F9-L43 HydrophobicContact CZ-CD1 4.24Å; F9-L43 HydrophobicContact CZ-CD2 4.12Å; F9-L43 HydrophobicContact CZ-CG 4.16Å; G39-L43 PolarHBondContact O-N 3.22Å; L40-L43 WeakPolarHBondContact O-CB 3.4Å; L40-L43 PolarHBondContact O-N 3.31Å; V41-L43 VanDerWaalsContact C-N 3.34Å; V41-L43 PolarHBondContact O-N 3.38Å; L43-N45 VanDerWaalsContact C-N 3.3Å; L43-N45 PolarHBondContact O-N 3.42Å; L43-S46 WeakPolarHBondContact O-CB 3.38Å; L43-S46 PolarHBondContact O-N 3.28Å; L43-S46 VanDerWaalsContact O-N 3.14Å; L43-L47 WeakPolarHBondContact O-CG 3.31Å; L43-L47 PolarHBondContact O-N 2.96Å; L43-F172 HydrophobicContact CD1-CE1 4.04Å; L43-F172 HydrophobicContact CD1-CZ 4.48Å; L43-F172 HydrophobicContact CD2-CE1 4.43Å; L43-V175 HydrophobicContact CD1-CG1 3.81Å; L43-M176 HydrophobicContact CD1-CG 4.34Å
44L84.1Confident82.3Confident8 Ų841.9 Ų41.94%0.04224%0.24CC..Hα-helixtrans-59.8-41.2-178.8-68176.2000112L40 V41 K42 S46 L47 F51 W118 L119L40-L44 WeakPolarHBondContact O-CG 3.38Å; L40-L44 PolarHBondContact O-N 2.98Å; V41-L44 PolarHBondContact O-N 2.94Å; K42-L44 PolarHBondContact O-N 3.24Å; L44-S46 VanDerWaalsContact C-N 3.33Å; L44-S46 PolarHBondContact O-N 3.12Å; L44-L47 HydrophobicContact CD2-CD1 4.28Å; L44-L47 WeakPolarHBondContact O-CB 3.4Å; L44-L47 PolarHBondContact O-N 3.08Å; L44-F51 HydrophobicContact CD2-CD1 4.38Å; L44-F51 WeakPolarHBondContact O-CB 3.45Å; L44-W118 HydrophobicContact CD1-CH2 4.46Å; L44-W118 HydrophobicContact CD1-CZ3 4.28Å; L44-W118 HydrophobicContact CD2-CH2 4.06Å; L44-L119 HydrophobicContact CD2-CD2 4.35Å
45N84.3Confident81.5Confident70 Ų7042 Ų4237%0.37424%0.241SC..Hα-helixtrans-67.6-33.6178.3-68.7-13000112.5V41 K42 L43 L47 G48 G52 S55V41-N45 WeakPolarHBondContact O-CB 3.46Å; V41-N45 PolarHBondContact O-N 2.96Å; V41-N45 PolarHBondContact O-ND2 3.2Å; K42-N45 PolarHBondContact O-N 3.37Å; L43-N45 VanDerWaalsContact C-N 3.3Å; L43-N45 PolarHBondContact O-N 3.42Å; N45-L47 PolarHBondContact O-N 3.19Å; N45-G48 PolarHBondContact O-N 3.39Å; N45-G52 WeakPolarHBondContact OD1-CA 3.4Å; N45-S55 WeakPolarHBondContact OD1-CB 3.32Å; N45-S55 PolarHBondContact OD1-OG 2.96Å
46S84.3Confident80.9Confident64 Ų6446.2 Ų46.245%0.44825%0.253SS..Hα-helixtrans-68.1-16175.3-64.40000113.5K42 L43 L44 G48 V175K42-S46 PolarHBondContact O-N 2.92Å; K42-S46 PolarHBondContact O-OG 3.4Å; K42-S46 VanDerWaalsContact O-OG 3.09Å; L43-S46 WeakPolarHBondContact O-CB 3.38Å; L43-S46 PolarHBondContact O-N 3.28Å; L43-S46 VanDerWaalsContact O-N 3.14Å; L44-S46 VanDerWaalsContact C-N 3.33Å; L44-S46 PolarHBondContact O-N 3.12Å; S46-G48 VanDerWaalsContact C-N 3.31Å; S46-V175 VanDerWaalsContact CB-CG1 3.41Å
47L77.8Confident80.5Confident15 Ų1550.3 Ų50.38%0.07928%0.275CS..THydrogen-bonded Turntrans-83.2-4.5175.2-58.4167.6000113.5L43 L44 N45 F51 L166 P167 F172 V175L43-L47 WeakPolarHBondContact O-CG 3.31Å; L43-L47 PolarHBondContact O-N 2.96Å; L44-L47 HydrophobicContact CD2-CD1 4.28Å; L44-L47 WeakPolarHBondContact O-CB 3.4Å; L44-L47 PolarHBondContact O-N 3.08Å; N45-L47 PolarHBondContact O-N 3.19Å; L47-F51 HydrophobicContact CB-CD2 4.19Å; L47-L166 HydrophobicContact CD1-CD2 3.99Å; L47-P167 HydrophobicContact CD2-CG 3.69Å; L47-F172 HydrophobicContact CD1-CD2 4.21Å; L47-F172 HydrophobicContact CD1-CE1 4.45Å; L47-F172 HydrophobicContact CD1-CE2 3.29Å; L47-F172 HydrophobicContact CD1-CZ 3.44Å; L47-F172 VanDerWaalsContact CD1-CZ 3.44Å; L47-F172 HydrophobicContact CD2-CD1 4.36Å; L47-F172 HydrophobicContact CD2-CD2 3.52Å; L47-F172 HydrophobicContact CD2-CE1 4.3Å; L47-F172 HydrophobicContact CD2-CE2 3.48Å; L47-F172 VanDerWaalsContact CD2-CE2 3.48Å; L47-F172 HydrophobicContact CD2-CG 3.98Å; L47-F172 HydrophobicContact CD2-CZ 3.88Å; L47-F172 HydrophobicContact CG-CE2 4.02Å; L47-F172 HydrophobicContact CG-CZ 4.25Å; L47-V175 HydrophobicContact CD2-CB 4.49Å; L47-V175 HydrophobicContact CD2-CG1 4.35Å; L47-V175 HydrophobicContact CD2-CG2 4.42Å
48G73.4Confident80.4Confident30 Ų3050.7 Ų50.731%0.30928%0.279SS..  trans126.8167.7173.300000114.9N45 S46 L50 F51N45-G48 PolarHBondContact O-N 3.39Å; S46-G48 VanDerWaalsContact C-N 3.31Å; G48-L50 VanDerWaalsContact C-N 3.29Å; G48-L50 PolarHBondContact O-N 3.05Å; G48-F51 PolarHBondContact O-N 3.41Å; G48-F51 VanDerWaalsContact O-N 3.15Å
49S68.6Low80.4Confident115 Ų11549.9 Ų49.980%0.80428%0.281SS*.Hα-helixtrans-63-28.5-171.156.10000114.7F51 G52S49-F51 VanDerWaalsContact C-N 3.32Å; S49-F51 PolarHBondContact O-N 3.11Å; S49-G52 PolarHBondContact O-N 3.28Å
50L65.1Low80.5Confident99 Ų9951.9 Ų51.952%0.51829%0.293SS..Hα-helixtrans-68.5-30.2177.9-72.4169.7000112.6G48 A162G48-L50 VanDerWaalsContact C-N 3.29Å; G48-L50 PolarHBondContact O-N 3.05Å; L50-A162 HydrophobicContact CB-CB 4.49Å
51F68.3Low80.7Confident1 Ų153.2 Ų53.20%0.00430%0.299CS..Hα-helixtrans-77.8-24.1173.8-77.8-82.3000112.7L44 L47 G48 S49 F53 I54 S55 A162 F163 L166L44-F51 HydrophobicContact CD2-CD1 4.38Å; L44-F51 WeakPolarHBondContact O-CB 3.45Å; L47-F51 HydrophobicContact CB-CD2 4.19Å; G48-F51 PolarHBondContact O-N 3.41Å; G48-F51 VanDerWaalsContact O-N 3.15Å; S49-F51 VanDerWaalsContact C-N 3.32Å; S49-F51 PolarHBondContact O-N 3.11Å; F51-F53 PolarHBondContact O-N 3.35Å; F51-I54 HydrophobicContact CD1-CD1 4.11Å; F51-I54 HydrophobicContact CE1-CD1 4.21Å; F51-I54 PolarHBondContact O-N 2.98Å; F51-S55 PolarHBondContact O-N 2.86Å; F51-S55 PolarHBondContact O-OG 3.4Å; F51-A162 WeakPolarHBondContact CE2-O 3.3Å; F51-F163 HydrophobicContact CE1-CD1 4.27Å; F51-F163 HydrophobicContact CE1-CE1 4.49Å; F51-F163 HydrophobicContact CZ-CD1 4.2Å; F51-L166 HydrophobicContact CD2-CD2 4.26Å; F51-L166 HydrophobicContact CE1-CD2 4Å; F51-L166 HydrophobicContact CE1-CG 4.41Å; F51-L166 HydrophobicContact CE2-CD2 3.39Å; F51-L166 HydrophobicContact CE2-CG 3.65Å; F51-L166 HydrophobicContact CZ-CD1 3.94Å; F51-L166 HydrophobicContact CZ-CD2 3.26Å; F51-L166 HydrophobicContact CZ-CG 3.38Å
52G64.8Low81Confident19 Ų1953 Ų5320%0.19630%0.297CS..Hα-helixtrans-58.2-31.3172.900000113.5N45 S49 S55 K56N45-G52 WeakPolarHBondContact OD1-CA 3.4Å; S49-G52 PolarHBondContact O-N 3.28Å; G52-S55 WeakPolarHBondContact CA-OG 3.36Å; G52-S55 PolarHBondContact O-OG 3.3Å; G52-S55 VanDerWaalsContact O-OG 3.12Å; G52-K56 WeakPolarHBondContact O-CG 3.41Å; G52-K56 PolarHBondContact O-N 3.01Å
53F62Low81.3Confident151 Ų15153 Ų5366%0.66230%0.298SS*.Hα-helixtrans-71.5-37.5173.5-179.4-98000112.2F51 K56F51-F53 PolarHBondContact O-N 3.35Å; F53-K56 HydrophobicContact CD2-CD 4.39Å
54I65.5Low81.7Confident55 Ų5553.6 Ų53.628%0.28230%0.302SS..Hα-helixtrans-70.4-37.1179.9-61.3173.7000110.4F51 K56 A162F51-I54 HydrophobicContact CD1-CD1 4.11Å; F51-I54 HydrophobicContact CE1-CD1 4.21Å; F51-I54 PolarHBondContact O-N 2.98Å; I54-K56 VanDerWaalsContact C-N 3.33Å; I54-K56 PolarHBondContact O-N 3.5Å; I54-A162 HydrophobicContact CD1-CB 3.63Å
55S80.5Confident82.4Confident3 Ų353.3 Ų53.32%0.02130%0.3CS..Hα-helixtrans-75.5-18.3-179.369.90000113.8N45 F51 G52 D57 A58 V59N45-S55 WeakPolarHBondContact OD1-CB 3.32Å; N45-S55 PolarHBondContact OD1-OG 2.96Å; F51-S55 PolarHBondContact O-N 2.86Å; F51-S55 PolarHBondContact O-OG 3.4Å; G52-S55 WeakPolarHBondContact CA-OG 3.36Å; G52-S55 PolarHBondContact O-OG 3.3Å; G52-S55 VanDerWaalsContact O-OG 3.12Å; S55-D57 VanDerWaalsContact C-N 3.27Å; S55-D57 PolarHBondContact O-N 3.28Å; S55-A58 PolarHBondContact O-N 3.2Å; S55-A58 VanDerWaalsContact O-N 3.12Å; S55-V59 WeakPolarHBondContact O-CG2 3.39Å; S55-V59 PolarHBondContact O-N 3.3Å
56K83.9Confident83Confident135 Ų13551 Ų5159%0.58729%0.287SS*.Hα-helixtrans-55.3-39.7177.4-83.4173.2-172.8-173.10113.2G52 F53 I54 V59 S60G52-K56 WeakPolarHBondContact O-CG 3.41Å; G52-K56 PolarHBondContact O-N 3.01Å; F53-K56 HydrophobicContact CD2-CD 4.39Å; I54-K56 VanDerWaalsContact C-N 3.33Å; I54-K56 PolarHBondContact O-N 3.5Å; K56-V59 PolarHBondContact O-N 3.08Å; K56-S60 WeakPolarHBondContact O-CB 3.48Å; K56-S60 PolarHBondContact O-N 3.45Å
57D87.3Confident83.7Confident86 Ų8652.2 Ų52.246%0.4629%0.289SS..Hα-helixtrans-63.4-48.1177.8-171.778.2000110.3S55 V59 S60 K61S55-D57 VanDerWaalsContact C-N 3.27Å; S55-D57 PolarHBondContact O-N 3.28Å; D57-V59 VanDerWaalsContact C-N 3.33Å; D57-V59 PolarHBondContact O-N 3.11Å; D57-S60 PolarHBondContact O-N 3.36Å; D57-K61 VanDerWaalsContact O-CG 3.26Å; D57-K61 WeakPolarHBondContact O-CG 3.46Å; D57-K61 PolarHBondContact O-N 2.64Å; D57-K61 IonicContact OD1-NZ 2.7Å; D57-K61 PolarHBondContact OD1-NZ 3.02Å; D57-K61 IonicContact OD2-NZ 2.68Å; D57-K61 PolarHBondContact OD2-NZ 3.47Å
58A92.4Very high84.6Confident10 Ų1053.9 Ų53.98%0.08330%0.296CS..Hα-helixtrans-61.2-39.4176.600000112.5W37 V41 S55 K61 T62 L112W37-A58 HydrophobicContact CE3-CB 4.18Å; W37-A58 HydrophobicContact CZ3-CB 4.21Å; V41-A58 HydrophobicContact CG2-CB 3.88Å; S55-A58 PolarHBondContact O-N 3.2Å; S55-A58 VanDerWaalsContact O-N 3.12Å; A58-K61 PolarHBondContact O-N 2.96Å; A58-T62 WeakPolarHBondContact O-CB 3.5Å; A58-T62 WeakPolarHBondContact O-CG2 3.45Å; A58-T62 PolarHBondContact O-N 3.42Å; A58-T62 PolarHBondContact O-OG1 2.89Å; A58-L112 HydrophobicContact CB-CD2 3.97Å
59V93.4Very high85.7Confident69 Ų6954.3 Ų54.342%0.41829%0.291SS..Hα-helixtrans-60.1-48.1173.9172.40000111.2V41 S55 K56 D57 K61 T62 Q63V41-V59 HydrophobicContact CB-CG2 4.46Å; V41-V59 HydrophobicContact CG1-CG2 3.55Å; V41-V59 HydrophobicContact CG2-CG2 4.16Å; S55-V59 WeakPolarHBondContact O-CG2 3.39Å; S55-V59 PolarHBondContact O-N 3.3Å; K56-V59 PolarHBondContact O-N 3.08Å; D57-V59 VanDerWaalsContact C-N 3.33Å; D57-V59 PolarHBondContact O-N 3.11Å; V59-K61 PolarHBondContact O-N 3.3Å; V59-T62 WeakPolarHBondContact CA-OG1 3.49Å; V59-T62 PolarHBondContact O-OG1 2.94Å; V59-Q63 WeakPolarHBondContact O-CB 3.44Å; V59-Q63 PolarHBondContact O-N 3.23Å
60S94.6Very high87.1Confident56 Ų5656.4 Ų56.439%0.39229%0.285SS..Hα-helixtrans-61.1-46.2178.5171.60000111.6K56 D57 Q63 I64K56-S60 WeakPolarHBondContact O-CB 3.48Å; K56-S60 PolarHBondContact O-N 3.45Å; D57-S60 PolarHBondContact O-N 3.36Å; S60-Q63 WeakPolarHBondContact O-CB 3.37Å; S60-Q63 PolarHBondContact O-N 3.29Å; S60-I64 WeakPolarHBondContact O-CG1 3.41Å; S60-I64 PolarHBondContact O-N 3.5Å
61K95.6Very high88.6Confident30 Ų3054 Ų5413%0.1328%0.277CS..Hα-helixtrans-66.9-41-179-59.4-67158.647.80112.7D57 A58 V59 Q63 I64 L65 T108 R111 L112D57-K61 VanDerWaalsContact O-CG 3.26Å; D57-K61 WeakPolarHBondContact O-CG 3.46Å; D57-K61 PolarHBondContact O-N 2.64Å; D57-K61 IonicContact OD1-NZ 2.7Å; D57-K61 PolarHBondContact OD1-NZ 3.02Å; D57-K61 IonicContact OD2-NZ 2.68Å; D57-K61 PolarHBondContact OD2-NZ 3.47Å; A58-K61 PolarHBondContact O-N 2.96Å; V59-K61 PolarHBondContact O-N 3.3Å; K61-Q63 VanDerWaalsContact C-N 3.28Å; K61-Q63 PolarHBondContact O-N 2.91Å; K61-I64 HydrophobicContact CD-CD1 4.43Å; K61-I64 PolarHBondContact O-N 3.33Å; K61-L65 PolarHBondContact O-N 3.14Å; K61-L65 VanDerWaalsContact O-N 3.11Å; K61-T108 HydrophobicContact CB-CG2 3.75Å; K61-T108 HydrophobicContact CD-CG2 3.81Å; K61-T108 HydrophobicContact CG-CG2 4.32Å; K61-T108 VanDerWaalsContact O-CG2 3.32Å; K61-T108 WeakPolarHBondContact O-CG2 3.29Å; K61-R111 HydrophobicContact CD-CB 4.49Å; K61-R111 HydrophobicContact CG-CB 4.47Å; K61-L112 HydrophobicContact CB-CD1 4.06Å; K61-L112 HydrophobicContact CB-CD2 3.94Å; K61-L112 HydrophobicContact CB-CG 3.85Å
62T96.6Very high89.9Confident4 Ų463.3 Ų63.33%0.02532%0.32CS..Hα-helixtrans-63-37.3174.349.90000111.8V34 W37 A58 V59 L65 M66 L112V34-T62 HydrophobicContact CG1-CG2 4.16Å; W37-T62 HydrophobicContact CB-CG2 3.54Å; W37-T62 HydrophobicContact CG-CG2 4.17Å; A58-T62 WeakPolarHBondContact O-CB 3.5Å; A58-T62 WeakPolarHBondContact O-CG2 3.45Å; A58-T62 PolarHBondContact O-N 3.42Å; A58-T62 PolarHBondContact O-OG1 2.89Å; V59-T62 WeakPolarHBondContact CA-OG1 3.49Å; V59-T62 PolarHBondContact O-OG1 2.94Å; T62-L65 PolarHBondContact O-N 2.86Å; T62-M66 WeakPolarHBondContact O-CG 3.48Å; T62-M66 PolarHBondContact O-N 3.12Å; T62-L112 HydrophobicContact CG2-CD1 3.96Å; T62-L112 HydrophobicContact CG2-CD2 4.29Å
63Q96.9Very high91.4Very high88 Ų8865.9 Ų65.941%0.41133%0.329SS..Hα-helixtrans-65.2-40.5175-172.65949.200112.3V59 S60 K61 M66 N67V59-Q63 WeakPolarHBondContact O-CB 3.44Å; V59-Q63 PolarHBondContact O-N 3.23Å; S60-Q63 WeakPolarHBondContact O-CB 3.37Å; S60-Q63 PolarHBondContact O-N 3.29Å; K61-Q63 VanDerWaalsContact C-N 3.28Å; K61-Q63 PolarHBondContact O-N 2.91Å; Q63-M66 PolarHBondContact O-N 3.37Å; Q63-N67 PolarHBondContact NE2-OD1 3.49Å; Q63-N67 PolarHBondContact O-N 3.42Å; Q63-N67 PolarHBondContact O-OD1 3.42Å
64I97.3Very high93.1Very high18 Ų1859 Ų599%0.09230%0.301CS..Hα-helixtrans-58.5-48.5174.9-69.4164.9000110.6S60 K61 M66 N67 F68 E103 T108S60-I64 WeakPolarHBondContact O-CG1 3.41Å; S60-I64 PolarHBondContact O-N 3.5Å; K61-I64 HydrophobicContact CD-CD1 4.43Å; K61-I64 PolarHBondContact O-N 3.33Å; I64-M66 VanDerWaalsContact C-N 3.33Å; I64-M66 PolarHBondContact O-N 3.09Å; I64-N67 WeakPolarHBondContact O-CB 3.33Å; I64-N67 PolarHBondContact O-N 3.44Å; I64-N67 VanDerWaalsContact O-N 3.09Å; I64-F68 HydrophobicContact CG2-CD2 3.94Å; I64-F68 HydrophobicContact CG2-CE2 3.52Å; I64-F68 HydrophobicContact CG2-CZ 4.48Å; I64-F68 WeakPolarHBondContact O-CD2 3.25Å; I64-F68 PolarHBondContact O-N 3.34Å; I64-F68 VanDerWaalsContact O-N 3.08Å; I64-E103 HydrophobicContact CD1-CB 4.48Å; I64-E103 HydrophobicContact CD1-CG 4.41Å; I64-T108 HydrophobicContact CB-CG2 3.96Å; I64-T108 HydrophobicContact CG2-CG2 3.86Å
65L97.9Very high94.6Very high1 Ų161.3 Ų61.31%0.00532%0.32CS..Hα-helixtrans-61.4-39.5177.5-65.7-179.4000112.6I30 V34 K61 T62 N67 F68 L69 M83 T108 L109 L112I30-L65 HydrophobicContact CG2-CB 4.07Å; I30-L65 HydrophobicContact CG2-CD1 4.38Å; V34-L65 HydrophobicContact CG2-CB 3.93Å; V34-L65 HydrophobicContact CG2-CD1 4.13Å; K61-L65 PolarHBondContact O-N 3.14Å; K61-L65 VanDerWaalsContact O-N 3.11Å; T62-L65 PolarHBondContact O-N 2.86Å; L65-N67 VanDerWaalsContact C-N 3.3Å; L65-N67 PolarHBondContact O-N 2.76Å; L65-F68 PolarHBondContact O-N 3.27Å; L65-L69 PolarHBondContact O-N 3.49Å; L65-M83 HydrophobicContact CD2-SD 4.29Å; L65-T108 HydrophobicContact CD2-CG2 3.96Å; L65-T108 HydrophobicContact CG-CG2 3.88Å; L65-L109 HydrophobicContact CD1-CB 4.42Å; L65-L109 HydrophobicContact CD1-CD1 3.85Å; L65-L112 HydrophobicContact CD1-CD1 3.75Å
66M97.6Very high95.4Very high22 Ų2265.1 Ų65.111%0.10834%0.337CS..Hα-helixtrans-65.2-34174.5-69.4-61.8-59.500112.8V34 T62 Q63 I64 L69 K70V34-M66 HydrophobicContact CB-CG 4.48Å; V34-M66 HydrophobicContact CB-SD 4.03Å; V34-M66 HydrophobicContact CG1-CG 3.65Å; V34-M66 HydrophobicContact CG1-SD 3.64Å; V34-M66 HydrophobicContact CG2-SD 4.39Å; T62-M66 WeakPolarHBondContact O-CG 3.48Å; T62-M66 PolarHBondContact O-N 3.12Å; Q63-M66 PolarHBondContact O-N 3.37Å; I64-M66 VanDerWaalsContact C-N 3.33Å; I64-M66 PolarHBondContact O-N 3.09Å; M66-L69 PolarHBondContact O-N 3.44Å; M66-L69 HydrophobicContact SD-CD1 4Å; M66-K70 WeakPolarHBondContact O-CB 3.26Å; M66-K70 VanDerWaalsContact O-CG 3.3Å; M66-K70 WeakPolarHBondContact O-CG 3.48Å; M66-K70 PolarHBondContact O-N 3.28Å; M66-K70 VanDerWaalsContact O-N 3.1Å
67N97.9Very high96.1Very high90 Ų9059 Ų5948%0.48131%0.31SS..Hα-helixtrans-67.2-40.1176.7-68.2-11.8000110.7Q63 I64 L65 K70 S71Q63-N67 PolarHBondContact NE2-OD1 3.49Å; Q63-N67 PolarHBondContact O-N 3.42Å; Q63-N67 PolarHBondContact O-OD1 3.42Å; I64-N67 WeakPolarHBondContact O-CB 3.33Å; I64-N67 PolarHBondContact O-N 3.44Å; I64-N67 VanDerWaalsContact O-N 3.09Å; L65-N67 VanDerWaalsContact C-N 3.3Å; L65-N67 PolarHBondContact O-N 2.76Å; N67-K70 PolarHBondContact O-N 3.25Å; N67-S71 PolarHBondContact O-N 3.09Å; N67-S71 VanDerWaalsContact O-N 3.08Å
68F97.7Very high96.6Very high50 Ų5056.9 Ų56.922%0.21931%0.305CS..Hα-helixtrans-62.3-46.4173.4-74.9-58.8000112.3I64 L65 K70 S71 G74 Y77 E103I64-F68 HydrophobicContact CG2-CD2 3.94Å; I64-F68 HydrophobicContact CG2-CE2 3.52Å; I64-F68 HydrophobicContact CG2-CZ 4.48Å; I64-F68 WeakPolarHBondContact O-CD2 3.25Å; I64-F68 PolarHBondContact O-N 3.34Å; I64-F68 VanDerWaalsContact O-N 3.08Å; L65-F68 PolarHBondContact O-N 3.27Å; F68-K70 PolarHBondContact O-N 3.5Å; F68-S71 WeakPolarHBondContact O-CB 3.3Å; F68-S71 PolarHBondContact O-N 3.46Å; F68-S71 PolarHBondContact O-OG 2.91Å; F68-G74 WeakPolarHBondContact O-CA 3.41Å; F68-Y77 HydrophobicContact CB-CD1 3.5Å; F68-Y77 HydrophobicContact CB-CD2 3.9Å; F68-Y77 HydrophobicContact CB-CE1 3.71Å; F68-Y77 HydrophobicContact CB-CE2 4.1Å; F68-Y77 HydrophobicContact CB-CG 3.61Å; F68-Y77 AromaticContact CD1-CE1 3.85Å; F68-Y77 HydrophobicContact CD1-CE1 3.85Å; F68-Y77 AromaticContact CD1-CE2 3.95Å; F68-Y77 HydrophobicContact CD1-CE2 3.95Å; F68-Y77 AromaticContact CD1-CZ 3.54Å; F68-Y77 HydrophobicContact CD2-CD1 4.36Å; F68-Y77 AromaticContact CD2-CE1 3.95Å; F68-Y77 HydrophobicContact CD2-CE1 3.95Å; F68-Y77 HydrophobicContact CE1-CE1 4.45Å; F68-Y77 AromaticContact CG-CD1 3.92Å; F68-Y77 HydrophobicContact CG-CD1 3.92Å; F68-Y77 AromaticContact CG-CE1 3.58Å; F68-Y77 HydrophobicContact CG-CE1 3.58Å; F68-Y77 HydrophobicContact CG-CE2 4.26Å; F68-Y77 HydrophobicContact CG-CG 4.39Å; F68-Y77 AromaticContact CG-CZ 3.78Å; F68-E103 WeakPolarHBondContact CE2-O 3.22Å; F68-E103 WeakPolarHBondContact CZ-O 3.4Å
69L96.4Very high96.9Very high39 Ų3956.8 Ų56.820%0.20430%0.303CS..Hα-helixtrans-55.5-34.9174.7-87.5168.4000113.3I30 E31 L65 M66 G74 Y77I30-L69 HydrophobicContact CB-CD1 4.19Å; I30-L69 HydrophobicContact CG2-CD1 3.73Å; I30-L69 HydrophobicContact CG2-CG 4.26Å; E31-L69 HydrophobicContact CB-CD1 4.14Å; L65-L69 PolarHBondContact O-N 3.49Å; M66-L69 PolarHBondContact O-N 3.44Å; M66-L69 HydrophobicContact SD-CD1 4Å; L69-G74 VanDerWaalsContact O-CA 3.29Å; L69-G74 WeakPolarHBondContact O-CA 3.36Å; L69-Y77 WeakPolarHBondContact CD2-O 3.35Å
70K97.1Very high97.2Very high159 Ų15953.5 Ų53.569%0.69128%0.283SS*.THydrogen-bonded Turntrans-90.4-2.5-179.3-68.5177179.8-173.70114.1M66 N67 F68M66-K70 WeakPolarHBondContact O-CB 3.26Å; M66-K70 VanDerWaalsContact O-CG 3.3Å; M66-K70 WeakPolarHBondContact O-CG 3.48Å; M66-K70 PolarHBondContact O-N 3.28Å; M66-K70 VanDerWaalsContact O-N 3.1Å; N67-K70 PolarHBondContact O-N 3.25Å; F68-K70 PolarHBondContact O-N 3.5Å
71S96.6Very high97.3Very high48 Ų4852.8 Ų52.834%0.33627%0.274SS..SBendtrans-81.4174.7-179.776.30000111.7N67 F68 N73 G74N67-S71 PolarHBondContact O-N 3.09Å; N67-S71 VanDerWaalsContact O-N 3.08Å; F68-S71 WeakPolarHBondContact O-CB 3.3Å; F68-S71 PolarHBondContact O-N 3.46Å; F68-S71 PolarHBondContact O-OG 2.91Å; S71-N73 PolarHBondContact O-N 3.45Å; S71-N73 PolarHBondContact OG-N 3.14Å; S71-G74 WeakPolarHBondContact O-CA 3.33Å; S71-G74 PolarHBondContact O-N 2.99Å
72E96.3Very high97.5Very high196 Ų19653 Ų5392%0.91628%0.279SS*.THydrogen-bonded Turntrans-58.1-28.9171.7-63.1-178.5169.300112.5G74E72-G74 VanDerWaalsContact C-N 3.27Å; E72-G74 PolarHBondContact O-N 3.34Å
73N96Very high97.6Very high73 Ų7352.8 Ų52.839%0.3928%0.278SS..THydrogen-bonded Turntrans-85.14.4175.6-64.9-41.3000113.1S71 P75 H76 Y77 F86S71-N73 PolarHBondContact O-N 3.45Å; S71-N73 PolarHBondContact OG-N 3.14Å; N73-P75 VanDerWaalsContact C-N 3.3Å; N73-P75 VanDerWaalsContact O-N 3.09Å; N73-H76 WeakPolarHBondContact O-CA 3.31Å; N73-H76 WeakPolarHBondContact O-CB 3.11Å; N73-H76 PolarHBondContact O-N 2.94Å; N73-Y77 HydrophobicContact CB-CD2 4.26Å; N73-Y77 HydrophobicContact CB-CE2 3.92Å; N73-Y77 WeakPolarHBondContact O-CD2 3.44Å; N73-F86 HydrophobicContact CB-CE1 4.29Å; N73-F86 HydrophobicContact CB-CZ 4.12Å
74G96.7Very high97.6Very high7 Ų748.6 Ų48.67%0.07226%0.258CS..G310 helixtrans-43.9-42.6-175.900000115.9F68 L69 S71 E72 H76 Y77 A78F68-G74 WeakPolarHBondContact O-CA 3.41Å; L69-G74 VanDerWaalsContact O-CA 3.29Å; L69-G74 WeakPolarHBondContact O-CA 3.36Å; S71-G74 WeakPolarHBondContact O-CA 3.33Å; S71-G74 PolarHBondContact O-N 2.99Å; E72-G74 VanDerWaalsContact C-N 3.27Å; E72-G74 PolarHBondContact O-N 3.34Å; G74-H76 PolarHBondContact O-N 2.85Å; G74-Y77 CarbonylContact O-C 3.56Å; G74-Y77 WeakPolarHBondContact O-CA 3.44Å; G74-Y77 PolarHBondContact O-N 3.03Å; G74-A78 PolarHBondContact O-N 2.77Å
75P97.5Very high97.7Very high103 Ų10353.9 Ų53.967%0.66928%0.281SS*.G310 helixtrans-56.9-31175.7-27.736.7000114.4N73 Y77N73-P75 VanDerWaalsContact C-N 3.3Å; N73-P75 VanDerWaalsContact O-N 3.09Å; P75-Y77 VanDerWaalsContact C-N 3.29Å; P75-Y77 PolarHBondContact O-N 3.43Å
76H98.3Very high97.7Very high84 Ų8454.9 Ų54.939%0.38929%0.285SS..G310 helixtrans-77.1-14.1176-62.3-59.8000113.6N73 G74 S82 M83 F86N73-H76 WeakPolarHBondContact O-CA 3.31Å; N73-H76 WeakPolarHBondContact O-CB 3.11Å; N73-H76 PolarHBondContact O-N 2.94Å; G74-H76 PolarHBondContact O-N 2.85Å; H76-S82 CarbonylContact O-C 3.13Å; H76-S82 PolarHBondContact O-OG 3.34Å; H76-S82 VanDerWaalsContact O-OG 3.09Å; H76-M83 WeakPolarHBondContact O-CA 3.45Å; H76-M83 PolarHBondContact O-N 2.76Å; H76-F86 HydrophobicContact CB-CB 3.72Å; H76-F86 HydrophobicContact CB-CD1 3.81Å; H76-F86 HydrophobicContact CB-CD2 3.76Å; H76-F86 HydrophobicContact CB-CE1 4.36Å; H76-F86 HydrophobicContact CB-CE2 4.32Å; H76-F86 HydrophobicContact CB-CG 3.47Å; H76-F86 VanDerWaalsContact CB-CG 3.47Å; H76-F86 AromaticContact CD2-CD2 3.49Å; H76-F86 VanDerWaalsContact CD2-CD2 3.49Å; H76-F86 WeakPolarHBondContact CD2-CD2 3.2Å; H76-F86 AromaticContact CD2-CE2 3.44Å; H76-F86 VanDerWaalsContact CD2-CE2 3.44Å; H76-F86 WeakPolarHBondContact CD2-CE2 3.07Å; H76-F86 AromaticContact CG-CD2 3.38Å; H76-F86 AromaticContact CG-CE2 3.83Å; H76-F86 AromaticContact CG-CG 3.66Å; H76-F86 AromaticContact ND1-CD2 3.73Å; H76-F86 AromaticContact NE2-CD2 3.91Å; H76-F86 AromaticContact NE2-CE2 3.9Å
77Y98.2Very high97.7Very high6 Ų654 Ų542%0.02428%0.28CS..G310 helixtrans-105.715.1177.2-67.4-94000112.1I30 F68 L69 N73 G74 P75 M83 F86 E87I30-Y77 VanDerWaalsContact CD1-O 3.31Å; I30-Y77 WeakPolarHBondContact CD1-O 3.44Å; F68-Y77 HydrophobicContact CB-CD1 3.5Å; F68-Y77 HydrophobicContact CB-CD2 3.9Å; F68-Y77 HydrophobicContact CB-CE1 3.71Å; F68-Y77 HydrophobicContact CB-CE2 4.1Å; F68-Y77 HydrophobicContact CB-CG 3.61Å; F68-Y77 AromaticContact CD1-CE1 3.85Å; F68-Y77 HydrophobicContact CD1-CE1 3.85Å; F68-Y77 AromaticContact CD1-CE2 3.95Å; F68-Y77 HydrophobicContact CD1-CE2 3.95Å; F68-Y77 AromaticContact CD1-CZ 3.54Å; F68-Y77 HydrophobicContact CD2-CD1 4.36Å; F68-Y77 AromaticContact CD2-CE1 3.95Å; F68-Y77 HydrophobicContact CD2-CE1 3.95Å; F68-Y77 HydrophobicContact CE1-CE1 4.45Å; F68-Y77 AromaticContact CG-CD1 3.92Å; F68-Y77 HydrophobicContact CG-CD1 3.92Å; F68-Y77 AromaticContact CG-CE1 3.58Å; F68-Y77 HydrophobicContact CG-CE1 3.58Å; F68-Y77 HydrophobicContact CG-CE2 4.26Å; F68-Y77 HydrophobicContact CG-CG 4.39Å; F68-Y77 AromaticContact CG-CZ 3.78Å; L69-Y77 WeakPolarHBondContact CD2-O 3.35Å; N73-Y77 HydrophobicContact CB-CD2 4.26Å; N73-Y77 HydrophobicContact CB-CE2 3.92Å; N73-Y77 WeakPolarHBondContact O-CD2 3.44Å; G74-Y77 CarbonylContact O-C 3.56Å; G74-Y77 WeakPolarHBondContact O-CA 3.44Å; G74-Y77 PolarHBondContact O-N 3.03Å; P75-Y77 VanDerWaalsContact C-N 3.29Å; P75-Y77 PolarHBondContact O-N 3.43Å; Y77-M83 HydrophobicContact CD1-CB 4.06Å; Y77-M83 HydrophobicContact CD1-CG 3.47Å; Y77-M83 VanDerWaalsContact CD1-CG 3.47Å; Y77-M83 HydrophobicContact CD1-SD 3.78Å; Y77-M83 HydrophobicContact CE1-CG 3.56Å; Y77-M83 HydrophobicContact CE1-SD 4Å; Y77-M83 HydrophobicContact CG-CG 4.46Å; Y77-F86 AromaticContact CE2-CD1 3.98Å; Y77-F86 HydrophobicContact CE2-CD1 3.98Å; Y77-F86 AromaticContact CE2-CE1 3.8Å; Y77-F86 HydrophobicContact CE2-CE1 3.8Å; Y77-E87 HydrophobicContact CE1-CG 4.36Å; Y77-E87 VanDerWaalsContact CE1-OE1 3.31Å; Y77-E87 WeakPolarHBondContact CE1-OE1 3.45Å; Y77-E87 PolarHBondContact OH-OE1 3.21Å
78A97.9Very high97.6Very high42 Ų4252 Ų5235%0.34727%0.27SS..SBendtrans-63.2-42.6178.200000112.1Y29 I30 G74Y29-A78 WeakPolarHBondContact CA-O 3.46Å; I30-A78 PolarHBondContact N-O 2.9Å; G74-A78 PolarHBondContact O-N 2.77Å
79T98.7Very high97.6Very high8 Ų854.5 Ų54.55%0.04929%0.285CS..BIsolated β-bridgetrans-125.1158.7177700000111.1E27 I28 Y29 Q81 S82 M83E27-T79 HydrophobicContact CB-CG2 4.04Å; I28-T79 CarbonylContact O-C 3.5Å; I28-T79 WeakPolarHBondContact O-CA 3.4Å; I28-T79 WeakPolarHBondContact O-CB 3.47Å; Y29-T79 HydrophobicContact CD1-CG2 3.68Å; Y29-T79 HydrophobicContact CE1-CG2 3.77Å; T79-Q81 PolarHBondContact O-N 3.44Å; T79-S82 PolarHBondContact N-OG 3.5Å; T79-S82 VanDerWaalsContact N-OG 3.16Å; T79-S82 PolarHBondContact O-N 2.91Å; T79-S82 PolarHBondContact O-OG 3.28Å; T79-S82 WeakPolarHBondContact OG1-CB 3.2Å; T79-S82 PolarHBondContact OG1-N 3.17Å; T79-S82 PolarHBondContact OG1-OG 3.1Å; T79-M83 WeakPolarHBondContact O-CB 3.36Å; T79-M83 PolarHBondContact O-N 3.12Å
80V98.7Very high97.6Very high0 Ų056.9 Ų56.90%030%0.298CS..Hα-helixtrans-58.8-39.5173.8174.50000110.6I28 I30 M83 V84 L109 L205 Y206I28-V80 HydrophobicContact CB-CB 4.13Å; I28-V80 HydrophobicContact CB-CG2 3.75Å; I28-V80 HydrophobicContact CG2-CG2 3.74Å; I28-V80 PolarHBondContact O-N 2.68Å; I30-V80 HydrophobicContact CD1-CG2 4.36Å; I30-V80 HydrophobicContact CG1-CG2 3.88Å; V80-M83 PolarHBondContact O-N 2.58Å; V80-V84 HydrophobicContact CG1-CG2 4.45Å; V80-V84 VanDerWaalsContact O-CG2 3.31Å; V80-V84 WeakPolarHBondContact O-CG2 3.5Å; V80-V84 PolarHBondContact O-N 3.24Å; V80-L109 HydrophobicContact CB-CD2 4.1Å; V80-L109 HydrophobicContact CG1-CD2 3.38Å; V80-L109 HydrophobicContact CG2-CD2 3.59Å; V80-L205 HydrophobicContact CG1-CD2 3.73Å; V80-Y206 HydrophobicContact CG1-CE2 4.33Å
81Q98.6Very high97.4Very high40 Ų4057.4 Ų57.419%0.18730%0.3CS..Hα-helixtrans-64.5-48.7179.3-68.677.8-1.900111.7K26 T79 M83 V84 K85 L205K26-Q81 PolarHBondContact O-NE2 3.42Å; T79-Q81 PolarHBondContact O-N 3.44Å; Q81-M83 VanDerWaalsContact C-N 3.31Å; Q81-M83 PolarHBondContact O-N 2.99Å; Q81-V84 PolarHBondContact O-N 3.4Å; Q81-K85 WeakPolarHBondContact O-CB 3.43Å; Q81-K85 PolarHBondContact O-N 3.06Å; Q81-L205 HydrophobicContact CG-CD2 4.17Å
82S98.5Very high97.3Very high34 Ų3457 Ų5724%0.23829%0.294CS..Hα-helixtrans-66-36.7178.7660000111.8H76 T79 K85 F86H76-S82 CarbonylContact O-C 3.13Å; H76-S82 PolarHBondContact O-OG 3.34Å; H76-S82 VanDerWaalsContact O-OG 3.09Å; T79-S82 PolarHBondContact N-OG 3.5Å; T79-S82 VanDerWaalsContact N-OG 3.16Å; T79-S82 PolarHBondContact O-N 2.91Å; T79-S82 PolarHBondContact O-OG 3.28Å; T79-S82 WeakPolarHBondContact OG1-CB 3.2Å; T79-S82 PolarHBondContact OG1-N 3.17Å; T79-S82 PolarHBondContact OG1-OG 3.1Å; S82-K85 PolarHBondContact O-N 3.43Å; S82-F86 VanDerWaalsContact O-CB 3.28Å; S82-F86 WeakPolarHBondContact O-CB 3.05Å; S82-F86 PolarHBondContact O-N 3.04Å
83M98.6Very high97Very high0 Ų048.3 Ų48.30%026%0.255CS..Hα-helixtrans-61.1-52.6174.6176.4-17275.900111.3I30 L65 H76 Y77 T79 V80 Q81 K85 F86 E87 G105 L109I30-M83 HydrophobicContact CD1-CB 4.02Å; I30-M83 HydrophobicContact CD1-CE 4.48Å; I30-M83 HydrophobicContact CD1-CG 4.49Å; I30-M83 HydrophobicContact CD1-SD 3.81Å; L65-M83 HydrophobicContact CD2-SD 4.29Å; H76-M83 WeakPolarHBondContact O-CA 3.45Å; H76-M83 PolarHBondContact O-N 2.76Å; Y77-M83 HydrophobicContact CD1-CB 4.06Å; Y77-M83 HydrophobicContact CD1-CG 3.47Å; Y77-M83 VanDerWaalsContact CD1-CG 3.47Å; Y77-M83 HydrophobicContact CD1-SD 3.78Å; Y77-M83 HydrophobicContact CE1-CG 3.56Å; Y77-M83 HydrophobicContact CE1-SD 4Å; Y77-M83 HydrophobicContact CG-CG 4.46Å; T79-M83 WeakPolarHBondContact O-CB 3.36Å; T79-M83 PolarHBondContact O-N 3.12Å; V80-M83 PolarHBondContact O-N 2.58Å; Q81-M83 VanDerWaalsContact C-N 3.31Å; Q81-M83 PolarHBondContact O-N 2.99Å; M83-K85 VanDerWaalsContact C-N 3.3Å; M83-K85 PolarHBondContact O-N 3.01Å; M83-F86 PolarHBondContact O-N 3.24Å; M83-E87 HydrophobicContact CG-CG 4.43Å; M83-E87 PolarHBondContact O-N 3.5Å; M83-G105 VanDerWaalsContact SD-C 3.54Å; M83-L109 HydrophobicContact CE-CB 4.09Å; M83-L109 HydrophobicContact CE-CD2 3.71Å
84V98.4Very high96.6Very high1 Ų145.3 Ų45.31%0.00624%0.238CC..Hα-helixtrans-58-45.7-180166.80000110.5V80 Q81 L88 L205 Y206 H209 L211V80-V84 HydrophobicContact CG1-CG2 4.45Å; V80-V84 VanDerWaalsContact O-CG2 3.31Å; V80-V84 WeakPolarHBondContact O-CG2 3.5Å; V80-V84 PolarHBondContact O-N 3.24Å; Q81-V84 PolarHBondContact O-N 3.4Å; V84-L88 HydrophobicContact CG1-CD1 3.78Å; V84-L88 HydrophobicContact CG1-CG 4.49Å; V84-L88 VanDerWaalsContact O-CB 3.31Å; V84-L88 WeakPolarHBondContact O-CB 3.36Å; V84-L88 VanDerWaalsContact O-CG 3.23Å; V84-L88 WeakPolarHBondContact O-CG 3.48Å; V84-L88 PolarHBondContact O-N 3.47Å; V84-L88 VanDerWaalsContact O-N 3.12Å; V84-L205 HydrophobicContact CB-CD2 4.24Å; V84-L205 HydrophobicContact CG1-CG 4.5Å; V84-L205 HydrophobicContact CG2-CD2 3.86Å; V84-L205 HydrophobicContact CG2-CG 4.42Å; V84-Y206 HydrophobicContact CG2-CE2 4.11Å; V84-H209 HydrophobicContact CG1-CB 4.48Å; V84-L211 HydrophobicContact CG1-CD1 3.89Å; V84-L211 HydrophobicContact CG2-CD1 4.27Å
85K98.3Very high95.7Very high129 Ų12947.9 Ų47.956%0.56125%0.253SS*.Hα-helixtrans-59.6-51.3176.8176.9168.817346.90111.8Q81 S82 M83 L88 D89Q81-K85 WeakPolarHBondContact O-CB 3.43Å; Q81-K85 PolarHBondContact O-N 3.06Å; S82-K85 PolarHBondContact O-N 3.43Å; M83-K85 VanDerWaalsContact C-N 3.3Å; M83-K85 PolarHBondContact O-N 3.01Å; K85-L88 PolarHBondContact O-N 3.2Å; K85-D89 WeakPolarHBondContact CG-OD2 3.38Å; K85-D89 IonicContact NZ-OD1 2.68Å; K85-D89 IonicContact NZ-OD2 3.96Å; K85-D89 PolarHBondContact NZ-OD2 3.49Å; K85-D89 WeakPolarHBondContact O-CB 3.45Å; K85-D89 PolarHBondContact O-N 3.17Å
86F98.4Very high94.5Very high22 Ų2250.3 Ų50.310%0.09626%0.26CS..Hα-helixtrans-60.8-49.4-177.3168.5-104.2000112.4N73 H76 Y77 S82 M83 L88 D89 N90 L92N73-F86 HydrophobicContact CB-CE1 4.29Å; N73-F86 HydrophobicContact CB-CZ 4.12Å; H76-F86 HydrophobicContact CB-CB 3.72Å; H76-F86 HydrophobicContact CB-CD1 3.81Å; H76-F86 HydrophobicContact CB-CD2 3.76Å; H76-F86 HydrophobicContact CB-CE1 4.36Å; H76-F86 HydrophobicContact CB-CE2 4.32Å; H76-F86 HydrophobicContact CB-CG 3.47Å; H76-F86 VanDerWaalsContact CB-CG 3.47Å; H76-F86 AromaticContact CD2-CD2 3.49Å; H76-F86 VanDerWaalsContact CD2-CD2 3.49Å; H76-F86 WeakPolarHBondContact CD2-CD2 3.2Å; H76-F86 AromaticContact CD2-CE2 3.44Å; H76-F86 VanDerWaalsContact CD2-CE2 3.44Å; H76-F86 WeakPolarHBondContact CD2-CE2 3.07Å; H76-F86 AromaticContact CG-CD2 3.38Å; H76-F86 AromaticContact CG-CE2 3.83Å; H76-F86 AromaticContact CG-CG 3.66Å; H76-F86 AromaticContact ND1-CD2 3.73Å; H76-F86 AromaticContact NE2-CD2 3.91Å; H76-F86 AromaticContact NE2-CE2 3.9Å; Y77-F86 AromaticContact CE2-CD1 3.98Å; Y77-F86 HydrophobicContact CE2-CD1 3.98Å; Y77-F86 AromaticContact CE2-CE1 3.8Å; Y77-F86 HydrophobicContact CE2-CE1 3.8Å; S82-F86 VanDerWaalsContact O-CB 3.28Å; S82-F86 WeakPolarHBondContact O-CB 3.05Å; S82-F86 PolarHBondContact O-N 3.04Å; M83-F86 PolarHBondContact O-N 3.24Å; F86-L88 VanDerWaalsContact C-N 3.33Å; F86-L88 PolarHBondContact O-N 3.25Å; F86-D89 PolarHBondContact O-N 3.02Å; F86-N90 WeakPolarHBondContact CD2-ND2 3.04Å; F86-N90 WeakPolarHBondContact O-CB 3.32Å; F86-N90 PolarHBondContact O-N 2.82Å; F86-N90 VanDerWaalsContact O-N 3.14Å; F86-N90 PolarHBondContact O-ND2 3Å; F86-L92 HydrophobicContact CD1-CD1 4.33Å; F86-L92 HydrophobicContact CE1-CD1 3.61Å; F86-L92 HydrophobicContact CZ-CD1 3.95Å
87E97.6Very high93.1Very high2 Ų253.2 Ų53.21%0.00927%0.272CS..Hα-helixtrans-68.4-34.4-176.6-66.4-164.9154.300112Y77 M83 K91 L92 V93 G105 C106Y77-E87 HydrophobicContact CE1-CG 4.36Å; Y77-E87 VanDerWaalsContact CE1-OE1 3.31Å; Y77-E87 WeakPolarHBondContact CE1-OE1 3.45Å; Y77-E87 PolarHBondContact OH-OE1 3.21Å; M83-E87 HydrophobicContact CG-CG 4.43Å; M83-E87 PolarHBondContact O-N 3.5Å; E87-K91 PolarHBondContact O-N 3.23Å; E87-K91 VanDerWaalsContact O-N 3.09Å; E87-L92 HydrophobicContact CB-CB 4.08Å; E87-L92 HydrophobicContact CG-CB 4.31Å; E87-L92 PolarHBondContact O-N 3.09Å; E87-V93 HydrophobicContact CB-CG2 3.53Å; E87-G105 WeakPolarHBondContact OE1-CA 3.39Å; E87-G105 PolarHBondContact OE1-N 2.93Å; E87-G105 PolarHBondContact OE2-N 3.07Å; E87-G105 VanDerWaalsContact OE2-N 3.16Å; E87-C106 WeakPolarHBondContact OE2-CB 3.21Å; E87-C106 PolarHBondContact OE2-N 2.8Å; E87-C106 PolarHBondContact OE2-SG 3.06Å
88L96.1Very high91.6Very high49 Ų4961.5 Ų61.526%0.25731%0.308SS..Hα-helixtrans-69.5-48.5174.8-72.9177.4000112.6V84 K85 F86 N90 K91 V93 H209 L211V84-L88 HydrophobicContact CG1-CD1 3.78Å; V84-L88 HydrophobicContact CG1-CG 4.49Å; V84-L88 VanDerWaalsContact O-CB 3.31Å; V84-L88 WeakPolarHBondContact O-CB 3.36Å; V84-L88 VanDerWaalsContact O-CG 3.23Å; V84-L88 WeakPolarHBondContact O-CG 3.48Å; V84-L88 PolarHBondContact O-N 3.47Å; V84-L88 VanDerWaalsContact O-N 3.12Å; K85-L88 PolarHBondContact O-N 3.2Å; F86-L88 VanDerWaalsContact C-N 3.33Å; F86-L88 PolarHBondContact O-N 3.25Å; L88-N90 PolarHBondContact O-N 3.25Å; L88-K91 PolarHBondContact O-N 3.24Å; L88-K91 VanDerWaalsContact O-N 3.07Å; L88-V93 HydrophobicContact CD2-CG2 4.38Å; L88-H209 HydrophobicContact CD1-CB 3.91Å; L88-L211 HydrophobicContact CD1-CD1 4.47Å; L88-L211 HydrophobicContact CD2-CD2 4.23Å
89D96.9Very high90.2Very high102 Ų10262 Ų6255%0.54532%0.317SS..Hα-helixtrans-59.2-31.7-179.5-73-12.9000111.5K85 F86K85-D89 WeakPolarHBondContact CG-OD2 3.38Å; K85-D89 IonicContact NZ-OD1 2.68Å; K85-D89 IonicContact NZ-OD2 3.96Å; K85-D89 PolarHBondContact NZ-OD2 3.49Å; K85-D89 WeakPolarHBondContact O-CB 3.45Å; K85-D89 PolarHBondContact O-N 3.17Å; F86-D89 PolarHBondContact O-N 3.02Å
90N95.4Very high89.1Confident89 Ų8966.7 Ų66.748%0.47634%0.341SS..THydrogen-bonded Turntrans-99.75.8-179.4-66.8-81.5000114.1F86 L88 L92F86-N90 WeakPolarHBondContact CD2-ND2 3.04Å; F86-N90 WeakPolarHBondContact O-CB 3.32Å; F86-N90 PolarHBondContact O-N 2.82Å; F86-N90 VanDerWaalsContact O-N 3.14Å; F86-N90 PolarHBondContact O-ND2 3Å; L88-N90 PolarHBondContact O-N 3.25Å; N90-L92 VanDerWaalsContact C-N 3.26Å; N90-L92 HydrophobicContact CB-CD1 3.92Å; N90-L92 HydrophobicContact CB-CD2 4.44Å; N90-L92 HydrophobicContact CB-CG 3.78Å; N90-L92 PolarHBondContact O-N 2.99Å
91K93.5Very high88.2Confident171 Ų17171.2 Ų71.274%0.74336%0.358SS*.THydrogen-bonded Turntrans55.238.6179.9-55.9175.8-177.9175.60113.6E87 L88 V93 Y101E87-K91 PolarHBondContact O-N 3.23Å; E87-K91 VanDerWaalsContact O-N 3.09Å; L88-K91 PolarHBondContact O-N 3.24Å; L88-K91 VanDerWaalsContact O-N 3.07Å; K91-V93 VanDerWaalsContact C-N 3.29Å; K91-Y101 WeakPolarHBondContact O-CE2 3.37Å
92L94.1Very high87.3Confident38 Ų3872.4 Ų72.420%0.19937%0.37CS..  trans-90.410.1178.6-54.5177.6000112.7F86 E87 N90 Y101 S104F86-L92 HydrophobicContact CD1-CD1 4.33Å; F86-L92 HydrophobicContact CE1-CD1 3.61Å; F86-L92 HydrophobicContact CZ-CD1 3.95Å; E87-L92 HydrophobicContact CB-CB 4.08Å; E87-L92 HydrophobicContact CG-CB 4.31Å; E87-L92 PolarHBondContact O-N 3.09Å; N90-L92 VanDerWaalsContact C-N 3.26Å; N90-L92 HydrophobicContact CB-CD1 3.92Å; N90-L92 HydrophobicContact CB-CD2 4.44Å; N90-L92 HydrophobicContact CB-CG 3.78Å; N90-L92 PolarHBondContact O-N 2.99Å; L92-Y101 HydrophobicContact CD2-CD1 4.49Å; L92-Y101 HydrophobicContact CD2-CE1 3.79Å; L92-Y101 VanDerWaalsContact O-CB 3.24Å; L92-Y101 WeakPolarHBondContact O-CB 3.42Å; L92-S104 WeakPolarHBondContact O-CB 3.37Å
93V91.6Very high86.8Confident15 Ų1576.3 Ų76.39%0.09138%0.384CS..SBendtrans-119.3126.4179-169.30000110.2E87 L88 K91 V95 C106 L211 L214E87-V93 HydrophobicContact CB-CG2 3.53Å; L88-V93 HydrophobicContact CD2-CG2 4.38Å; K91-V93 VanDerWaalsContact C-N 3.29Å; V93-V95 VanDerWaalsContact C-N 3.3Å; V93-V95 HydrophobicContact CB-CG2 4.26Å; V93-V95 HydrophobicContact CG1-CG2 4.06Å; V93-V95 PolarHBondContact O-N 3.08Å; V93-C106 HydrophobicContact CG1-CB 4.19Å; V93-C106 HydrophobicContact CG2-CB 3.94Å; V93-L211 HydrophobicContact CG1-CD2 4.41Å; V93-L214 HydrophobicContact CG1-CD1 3.77Å; V93-L214 HydrophobicContact CG1-CD2 3.49Å; V93-L214 VanDerWaalsContact CG1-CD2 3.49Å; V93-L214 HydrophobicContact CG1-CG 4.29Å
94D86.3Confident86.6Confident9 Ų976.6 Ų76.65%0.04839%0.386CS..  trans-75.174.3174.6-87.11.2000111.2K97 G99 I100 Y101 P215D94-K97 WeakPolarHBondContact CB-O 3.25Å; D94-G99 WeakPolarHBondContact OD2-CA 3.28Å; D94-G99 PolarHBondContact OD2-N 3.45Å; D94-I100 WeakPolarHBondContact OD1-CB 3.43Å; D94-I100 PolarHBondContact OD2-N 3.22Å; D94-Y101 VanDerWaalsContact CG-N 3.29Å; D94-Y101 PolarHBondContact OD1-N 3.04Å; D94-Y101 PolarHBondContact OD2-N 3.21Å; D94-P215 WeakPolarHBondContact O-CD 3.36Å; D94-P215 WeakPolarHBondContact O-CG 3.13Å
95V79.1Confident86.6Confident61 Ų6176.6 Ų76.637%0.3739%0.386SS..SBendtrans-74.7-52.1179.9-174.30000111.2V93 L211 L214V93-V95 VanDerWaalsContact C-N 3.3Å; V93-V95 HydrophobicContact CB-CG2 4.26Å; V93-V95 HydrophobicContact CG1-CG2 4.06Å; V93-V95 PolarHBondContact O-N 3.08Å; V95-L211 HydrophobicContact CG2-CD2 4.4Å; V95-L214 HydrophobicContact CG2-CD2 4.25Å
96D71.3Confident86.5Confident155 Ų15570.4 Ų70.483%0.82936%0.359SS*.SBendtrans-111.2-1.5-173.8-58.7-48.6000114.1
97K68Low86.4Confident145 Ų14572.2 Ų72.263%0.6337%0.365SS*.SBendtrans-136.3138.8-175.2-64-178.4-176.8177.10109.2D94 I100D94-K97 WeakPolarHBondContact CB-O 3.25Å; K97-I100 HydrophobicContact CD-CD1 4.42Å
98K68.5Low86.4Confident180 Ų18072.3 Ų72.378%0.78337%0.366SS*.SBendtrans-93.2128.1177.9-67.2-175.1177.1179.50110.7P215K98-P215 HydrophobicContact CD-CB 4.25Å; K98-P215 HydrophobicContact CG-CB 3.87Å; K98-P215 HydrophobicContact CG-CG 4.18Å
99G67Low86.5Confident53 Ų5370 Ų7055%0.54635%0.354SS..SBendtrans100.814.3154.900000116.7D94D94-G99 WeakPolarHBondContact OD2-CA 3.28Å; D94-G99 PolarHBondContact OD2-N 3.45Å
100I75.3Confident86.5Confident105 Ų10565.1 Ų65.154%0.53833%0.328SS..SBendtrans-86.5-44.4170-53.6176.8000109.3D94 K97 P102D94-I100 WeakPolarHBondContact OD1-CB 3.43Å; D94-I100 PolarHBondContact OD2-N 3.22Å; K97-I100 HydrophobicContact CD-CD1 4.42Å; I100-P102 VanDerWaalsContact C-CD 3.42Å; I100-P102 WeakPolarHBondContact O-CD 3.42Å
101Y80.6Confident86.5Confident95 Ų9562.9 Ų62.937%0.37331%0.313SS..SBendtrans-122.968.4176.1-57.8-75.1000110.4K91 L92 D94 E103 S104K91-Y101 WeakPolarHBondContact O-CE2 3.37Å; L92-Y101 HydrophobicContact CD2-CD1 4.49Å; L92-Y101 HydrophobicContact CD2-CE1 3.79Å; L92-Y101 VanDerWaalsContact O-CB 3.24Å; L92-Y101 WeakPolarHBondContact O-CB 3.42Å; D94-Y101 VanDerWaalsContact CG-N 3.29Å; D94-Y101 PolarHBondContact OD1-N 3.04Å; D94-Y101 PolarHBondContact OD2-N 3.21Å; Y101-E103 PolarHBondContact O-N 3.15Å; Y101-E103 VanDerWaalsContact O-N 3.09Å; Y101-S104 PolarHBondContact O-N 3.34Å
102P80.5Confident86.7Confident65 Ų6554.8 Ų54.842%0.42228%0.278SS..THydrogen-bonded Turntrans-66.4-15-173.928.6-36.1000113.4I100 R107I100-P102 VanDerWaalsContact C-CD 3.42Å; I100-P102 WeakPolarHBondContact O-CD 3.42Å; P102-R107 VanDerWaalsContact CA-NH1 3.34Å; P102-R107 VanDerWaalsContact O-CD 3.28Å; P102-R107 WeakPolarHBondContact O-CD 3.49Å; P102-R107 PolarHBondContact O-NH1 3.38Å
103E87.2Confident86.8Confident117 Ų11753 Ų5355%0.54727%0.268SS..THydrogen-bonded Turntrans-128.632.6-178.7-60.9-168.7136.700112.3I64 F68 Y101I64-E103 HydrophobicContact CD1-CB 4.48Å; I64-E103 HydrophobicContact CD1-CG 4.41Å; F68-E103 WeakPolarHBondContact CE2-O 3.22Å; F68-E103 WeakPolarHBondContact CZ-O 3.4Å; Y101-E103 PolarHBondContact O-N 3.15Å; Y101-E103 VanDerWaalsContact O-N 3.09Å
104S95.4Very high87Confident6 Ų654 Ų544%0.04227%0.271CS..  trans-54.4150.7172.161.60000111.7L92 Y101 C106 R107 T108L92-S104 WeakPolarHBondContact O-CB 3.37Å; Y101-S104 PolarHBondContact O-N 3.34Å; S104-C106 VanDerWaalsContact C-N 3.3Å; S104-C106 PolarHBondContact O-N 2.81Å; S104-R107 PolarHBondContact O-N 3.27Å; S104-R107 WeakPolarHBondContact OG-CB 3.26Å; S104-R107 PolarHBondContact OG-N 3.45Å; S104-T108 VanDerWaalsContact O-CB 3.26Å; S104-T108 WeakPolarHBondContact O-CB 3.45Å; S104-T108 PolarHBondContact O-N 3.06Å; S104-T108 PolarHBondContact O-OG1 3.23Å
105G97.1Very high87.4Confident0 Ų054.4 Ų54.40%028%0.275CS..Hα-helixtrans-57.9-43.7177.500000111.6M83 E87 R107 T108 L109M83-G105 VanDerWaalsContact SD-C 3.54Å; E87-G105 WeakPolarHBondContact OE1-CA 3.39Å; E87-G105 PolarHBondContact OE1-N 2.93Å; E87-G105 PolarHBondContact OE2-N 3.07Å; E87-G105 VanDerWaalsContact OE2-N 3.16Å; G105-R107 PolarHBondContact O-N 2.7Å; G105-T108 PolarHBondContact O-N 2.91Å; G105-L109 VanDerWaalsContact O-CB 3.32Å; G105-L109 WeakPolarHBondContact O-CB 3.49Å; G105-L109 PolarHBondContact O-N 2.89Å
106C97.6Very high88.2Confident0 Ų051.5 Ų51.50%026%0.257CS..Hα-helixtrans-58.7-47.9176.8-68.20000112E87 V93 S104 L110 Y206 L211 L214E87-C106 WeakPolarHBondContact OE2-CB 3.21Å; E87-C106 PolarHBondContact OE2-N 2.8Å; E87-C106 PolarHBondContact OE2-SG 3.06Å; V93-C106 HydrophobicContact CG1-CB 4.19Å; V93-C106 HydrophobicContact CG2-CB 3.94Å; S104-C106 VanDerWaalsContact C-N 3.3Å; S104-C106 PolarHBondContact O-N 2.81Å; C106-L110 PolarHBondContact O-N 3.36Å; C106-L110 VanDerWaalsContact O-N 3.13Å; C106-Y206 WeakPolarHBondContact CA-OH 3.31Å; C106-Y206 WeakPolarHBondContact O-CE1 3.41Å; C106-Y206 PolarHBondContact O-OH 3.39Å; C106-L211 HydrophobicContact CB-CD1 4.42Å; C106-L214 HydrophobicContact CB-CD1 3.93Å
107R95.9Very high89.3Confident59 Ų5948 Ų4822%0.22323%0.233CC..Hα-helixtrans-64.5-45.8178.3-172.9-173178.9-173.416.9110.3P102 S104 G105 L110 R111 L214 P215P102-R107 VanDerWaalsContact CA-NH1 3.34Å; P102-R107 VanDerWaalsContact O-CD 3.28Å; P102-R107 WeakPolarHBondContact O-CD 3.49Å; P102-R107 PolarHBondContact O-NH1 3.38Å; S104-R107 PolarHBondContact O-N 3.27Å; S104-R107 WeakPolarHBondContact OG-CB 3.26Å; S104-R107 PolarHBondContact OG-N 3.45Å; G105-R107 PolarHBondContact O-N 2.7Å; R107-L110 WeakPolarHBondContact O-CB 3.26Å; R107-L110 PolarHBondContact O-N 3Å; R107-R111 WeakPolarHBondContact O-CD 3.38Å; R107-R111 PolarHBondContact O-NE 2.73Å; R107-R111 PolarHBondContact O-NH1 3.18Å; R107-L214 HydrophobicContact CB-CD1 4.33Å; R107-P215 WeakPolarHBondContact CD-O 3.35Å; R107-P215 PolarHBondContact NE-O 2.82Å; R107-P215 PolarHBondContact NH2-O 2.83Å; R107-P215 PolarHBondContact NH2-OXT 2.89Å
108T96.9Very high90.6Very high4 Ų441.5 Ų41.53%0.02520%0.204CC..Hα-helixtrans-60.4-51.7-178.9-65.70000111.6K61 I64 L65 S104 G105 L110 R111K61-T108 HydrophobicContact CB-CG2 3.75Å; K61-T108 HydrophobicContact CD-CG2 3.81Å; K61-T108 HydrophobicContact CG-CG2 4.32Å; K61-T108 VanDerWaalsContact O-CG2 3.32Å; K61-T108 WeakPolarHBondContact O-CG2 3.29Å; I64-T108 HydrophobicContact CB-CG2 3.96Å; I64-T108 HydrophobicContact CG2-CG2 3.86Å; L65-T108 HydrophobicContact CD2-CG2 3.96Å; L65-T108 HydrophobicContact CG-CG2 3.88Å; S104-T108 VanDerWaalsContact O-CB 3.26Å; S104-T108 WeakPolarHBondContact O-CB 3.45Å; S104-T108 PolarHBondContact O-N 3.06Å; S104-T108 PolarHBondContact O-OG1 3.23Å; G105-T108 PolarHBondContact O-N 2.91Å; T108-L110 VanDerWaalsContact C-N 3.29Å; T108-L110 PolarHBondContact O-N 3.35Å; T108-R111 PolarHBondContact O-N 3.38Å; T108-R111 VanDerWaalsContact O-N 3.16Å
109L98Very high91.8Very high0 Ų033.1 Ų33.10%017%0.168CC..Hα-helixtrans-62-35.9179.2-177.376.2000111.5Y33 L65 V80 M83 G105 R111 L112 H113 T202 Y206Y33-L109 HydrophobicContact CD1-CD1 3.97Å; Y33-L109 HydrophobicContact CE1-CD1 3.41Å; Y33-L109 VanDerWaalsContact CE1-CD1 3.41Å; L65-L109 HydrophobicContact CD1-CB 4.42Å; L65-L109 HydrophobicContact CD1-CD1 3.85Å; V80-L109 HydrophobicContact CB-CD2 4.1Å; V80-L109 HydrophobicContact CG1-CD2 3.38Å; V80-L109 HydrophobicContact CG2-CD2 3.59Å; M83-L109 HydrophobicContact CE-CB 4.09Å; M83-L109 HydrophobicContact CE-CD2 3.71Å; G105-L109 VanDerWaalsContact O-CB 3.32Å; G105-L109 WeakPolarHBondContact O-CB 3.49Å; G105-L109 PolarHBondContact O-N 2.89Å; L109-R111 PolarHBondContact O-N 3.13Å; L109-R111 VanDerWaalsContact O-N 3.15Å; L109-L112 CarbonylContact O-C 3.6Å; L109-L112 WeakPolarHBondContact O-CB 3.48Å; L109-L112 PolarHBondContact O-N 3.2Å; L109-L112 VanDerWaalsContact O-N 3.12Å; L109-H113 WeakPolarHBondContact O-CB 3.47Å; L109-H113 PolarHBondContact O-N 3.36Å; L109-T202 HydrophobicContact CD2-CG2 4.37Å; L109-Y206 WeakPolarHBondContact CB-OH 3.34Å; L109-Y206 HydrophobicContact CD2-CE2 4.04Å; L109-Y206 WeakPolarHBondContact CD2-OH 3.32Å
110L97.4Very high93Very high1 Ų130.8 Ų30.81%0.00514%0.143CC..Hα-helixtrans-56.4-33.7176.7-175.858000113.2C106 R107 T108 H113 R114 Y206 L211 L214C106-L110 PolarHBondContact O-N 3.36Å; C106-L110 VanDerWaalsContact O-N 3.13Å; R107-L110 WeakPolarHBondContact O-CB 3.26Å; R107-L110 PolarHBondContact O-N 3Å; T108-L110 VanDerWaalsContact C-N 3.29Å; T108-L110 PolarHBondContact O-N 3.35Å; L110-H113 PolarHBondContact O-N 3.11Å; L110-R114 HydrophobicContact CD1-CG 4.42Å; L110-R114 VanDerWaalsContact O-CG 3.3Å; L110-R114 WeakPolarHBondContact O-CG 3.44Å; L110-R114 PolarHBondContact O-N 2.93Å; L110-Y206 HydrophobicContact CB-CD1 4.47Å; L110-Y206 HydrophobicContact CB-CE1 3.82Å; L110-Y206 HydrophobicContact CD1-CD1 3.81Å; L110-Y206 HydrophobicContact CD1-CE1 4.02Å; L110-Y206 HydrophobicContact CG-CE1 4.38Å; L110-L211 VanDerWaalsContact CD2-O 3.27Å; L110-L211 WeakPolarHBondContact CD2-O 3.39Å; L110-L214 HydrophobicContact CD2-CB 3.84Å; L110-L214 HydrophobicContact CD2-CG 4.48Å
111R95.8Very high94Very high41 Ų4127 Ų2716%0.15512%0.123CC..Hα-helixtrans-72.6-41.9-179.6-77.373.7-176.2139.912.1110.4K61 R107 T108 L109 A115 L214 P215K61-R111 HydrophobicContact CD-CB 4.49Å; K61-R111 HydrophobicContact CG-CB 4.47Å; R107-R111 WeakPolarHBondContact O-CD 3.38Å; R107-R111 PolarHBondContact O-NE 2.73Å; R107-R111 PolarHBondContact O-NH1 3.18Å; T108-R111 PolarHBondContact O-N 3.38Å; T108-R111 VanDerWaalsContact O-N 3.16Å; L109-R111 PolarHBondContact O-N 3.13Å; L109-R111 VanDerWaalsContact O-N 3.15Å; R111-A115 PolarHBondContact O-N 2.78Å; R111-A115 VanDerWaalsContact O-N 3.13Å; R111-L214 PolarHBondContact NH1-O 3.3Å; R111-L214 PolarHBondContact NH2-O 3.19Å; R111-P215 PolarHBondContact NH2-O 3.01Å; R111-P215 PolarHBondContact NH2-OXT 3.24Å
112L96.4Very high94.7Very high1 Ų122.6 Ų22.61%0.00511%0.106CC..Hα-helixtrans-61.9-47.9171.9-66.2176.8000110.1Y33 W37 A58 K61 T62 L65 L109 R114 A115 L116Y33-L112 HydrophobicContact CE1-CB 4.33Å; Y33-L112 HydrophobicContact CE1-CD1 4.2Å; W37-L112 HydrophobicContact CD2-CD2 3.98Å; W37-L112 HydrophobicContact CE3-CD2 4.2Å; W37-L112 HydrophobicContact CG-CD2 4.42Å; W37-L112 HydrophobicContact CZ2-CB 4.08Å; W37-L112 HydrophobicContact CZ2-CD2 4.4Å; W37-L112 WeakPolarHBondContact CZ2-O 3.22Å; A58-L112 HydrophobicContact CB-CD2 3.97Å; K61-L112 HydrophobicContact CB-CD1 4.06Å; K61-L112 HydrophobicContact CB-CD2 3.94Å; K61-L112 HydrophobicContact CB-CG 3.85Å; T62-L112 HydrophobicContact CG2-CD1 3.96Å; T62-L112 HydrophobicContact CG2-CD2 4.29Å; L65-L112 HydrophobicContact CD1-CD1 3.75Å; L109-L112 CarbonylContact O-C 3.6Å; L109-L112 WeakPolarHBondContact O-CB 3.48Å; L109-L112 PolarHBondContact O-N 3.2Å; L109-L112 VanDerWaalsContact O-N 3.12Å; L112-R114 PolarHBondContact O-N 3.37Å; L112-A115 CarbonylContact O-C 3.44Å; L112-A115 WeakPolarHBondContact O-CA 3.45Å; L112-A115 WeakPolarHBondContact O-CB 3.14Å; L112-A115 PolarHBondContact O-N 2.96Å; L112-L116 PolarHBondContact O-N 3.3Å
113H97.3Very high95.4Very high1 Ų119.6 Ų19.61%0.0059%0.087CC..Hα-helixtrans-52.9-49.5177.5-179.460.5000113.2L109 L110 A115 L116 R117 Y199 T202 E203L109-H113 WeakPolarHBondContact O-CB 3.47Å; L109-H113 PolarHBondContact O-N 3.36Å; L110-H113 PolarHBondContact O-N 3.11Å; H113-A115 VanDerWaalsContact C-N 3.32Å; H113-A115 PolarHBondContact O-N 3.34Å; H113-L116 VanDerWaalsContact O-CB 3.26Å; H113-L116 WeakPolarHBondContact O-CB 3.04Å; H113-L116 PolarHBondContact O-N 3.06Å; H113-L116 VanDerWaalsContact O-N 3.11Å; H113-R117 PolarHBondContact O-N 2.9Å; H113-Y199 AromaticContact CE1-CD2 3.07Å; H113-Y199 WeakPolarHBondContact CE1-CD2 3.42Å; H113-Y199 AromaticContact CE1-CE2 3.11Å; H113-Y199 WeakPolarHBondContact CE1-CE2 3.29Å; H113-Y199 AromaticContact CE1-CG 3.6Å; H113-Y199 AromaticContact CE1-CZ 3.71Å; H113-Y199 PolarHBondContact CE1-O 2.84Å; H113-Y199 VanDerWaalsContact CE1-O 3.27Å; H113-Y199 AromaticContact ND1-CD2 3.44Å; H113-Y199 WeakPolarHBondContact ND1-CD2 3.5Å; H113-Y199 AromaticContact ND1-CE2 3.7Å; H113-Y199 AromaticContact NE2-CD2 3.79Å; H113-Y199 AromaticContact NE2-CE2 3.31Å; H113-Y199 VanDerWaalsContact NE2-CE2 3.31Å; H113-Y199 WeakPolarHBondContact NE2-CE2 3.3Å; H113-Y199 AromaticContact NE2-CZ 3.66Å; H113-T202 HydrophobicContact CB-CG2 4.33Å; H113-E203 IonicContact CD2-OE2 2.76Å; H113-E203 IonicContact CE1-OE2 3.86Å; H113-E203 IonicContact NE2-OE2 2.66Å; H113-E203 PolarHBondContact NE2-OE2 3.3Å
114R96Very high95.9Very high36 Ų3617.1 Ų17.114%0.1368%0.075CC..Hα-helixtrans-60.8-39.2175-71.4165.5172.8177.30.1112.5L110 L112 L116 R117 L147 H150 L212L110-R114 HydrophobicContact CD1-CG 4.42Å; L110-R114 VanDerWaalsContact O-CG 3.3Å; L110-R114 WeakPolarHBondContact O-CG 3.44Å; L110-R114 PolarHBondContact O-N 2.93Å; L112-R114 PolarHBondContact O-N 3.37Å; R114-L116 VanDerWaalsContact C-N 3.35Å; R114-R117 PolarHBondContact O-N 3.02Å; R114-L147 HydrophobicContact CB-CD1 3.85Å; R114-H150 VanDerWaalsContact CD-CD2 3.46Å; R114-H150 WeakPolarHBondContact CD-CD2 3.49Å; R114-H150 PolarHBondContact NE-CE1 2.95Å; R114-H150 PolarHBondContact NE-ND1 3.43Å; R114-L212 PolarHBondContact NH2-O 2.93Å
115A94.4Very high95.9Very high17 Ų1719.5 Ų19.514%0.148%0.083CC..Hα-helixtrans-71.1-30.417600000112.5W37 R111 L112 H113 R117 W118 L119 L147W37-A115 HydrophobicContact CH2-CB 3.59Å; W37-A115 HydrophobicContact CZ2-CB 4.32Å; W37-A115 HydrophobicContact CZ3-CB 4.4Å; R111-A115 PolarHBondContact O-N 2.78Å; R111-A115 VanDerWaalsContact O-N 3.13Å; L112-A115 CarbonylContact O-C 3.44Å; L112-A115 WeakPolarHBondContact O-CA 3.45Å; L112-A115 WeakPolarHBondContact O-CB 3.14Å; L112-A115 PolarHBondContact O-N 2.96Å; H113-A115 VanDerWaalsContact C-N 3.32Å; H113-A115 PolarHBondContact O-N 3.34Å; A115-R117 VanDerWaalsContact C-N 3.29Å; A115-R117 PolarHBondContact O-N 3.15Å; A115-W118 WeakPolarHBondContact O-CB 3.14Å; A115-W118 PolarHBondContact O-N 3.36Å; A115-L119 PolarHBondContact O-N 3.31Å; A115-L119 VanDerWaalsContact O-N 3.1Å; A115-L147 HydrophobicContact CB-CD1 4.42Å; A115-L147 HydrophobicContact CB-CD2 4.31Å
116L94.8Very high95.8Very high0 Ų019.5 Ų19.50%08%0.083CC..Hα-helixtrans-61.2-41.5175.5-161.659.1000110.5F18 Y33 W37 L40 L112 H113 R114 W118 L119 Q120 L195 V198F18-L116 HydrophobicContact CE1-CD1 4.47Å; F18-L116 HydrophobicContact CZ-CD1 4.16Å; Y33-L116 HydrophobicContact CE2-CD2 4.17Å; W37-L116 HydrophobicContact CZ2-CB 3.79Å; W37-L116 HydrophobicContact CZ2-CD1 3.81Å; W37-L116 HydrophobicContact CZ2-CG 4.38Å; L40-L116 HydrophobicContact CD1-CD1 4.19Å; L112-L116 PolarHBondContact O-N 3.3Å; H113-L116 VanDerWaalsContact O-CB 3.26Å; H113-L116 WeakPolarHBondContact O-CB 3.04Å; H113-L116 PolarHBondContact O-N 3.06Å; H113-L116 VanDerWaalsContact O-N 3.11Å; R114-L116 VanDerWaalsContact C-N 3.35Å; L116-W118 VanDerWaalsContact C-N 3.32Å; L116-W118 PolarHBondContact O-N 3.47Å; L116-L119 PolarHBondContact O-N 3.22Å; L116-Q120 VanDerWaalsContact O-CG 3.32Å; L116-Q120 WeakPolarHBondContact O-CG 3.46Å; L116-Q120 PolarHBondContact O-N 3.42Å; L116-L195 HydrophobicContact CD1-CD2 4.17Å; L116-V198 HydrophobicContact CD2-CG1 4.49Å
117R96Very high95.8Very high82 Ų8223 Ų2331%0.30910%0.096SC..Hα-helixtrans-56.8-47176.5-175.956.7-177174.21.1112.1H113 R114 A115 L119 Q120 L121 Y199H113-R117 PolarHBondContact O-N 2.9Å; R114-R117 PolarHBondContact O-N 3.02Å; A115-R117 VanDerWaalsContact C-N 3.29Å; A115-R117 PolarHBondContact O-N 3.15Å; R117-L119 VanDerWaalsContact C-N 3.35Å; R117-L119 PolarHBondContact O-N 3.07Å; R117-Q120 PolarHBondContact O-N 2.87Å; R117-L121 HydrophobicContact CG-CD1 4.37Å; R117-L121 WeakPolarHBondContact O-CG 3.38Å; R117-L121 PolarHBondContact O-N 3.26Å; R117-L121 VanDerWaalsContact O-N 3.15Å; R117-Y199 HydrophobicContact CB-CD2 4.17Å; R117-Y199 HydrophobicContact CB-CE2 3.55Å; R117-Y199 HydrophobicContact CG-CE2 4.18Å
118W94.9Very high95.8Very high9 Ų924.2 Ų24.23%0.03411%0.11CC..Hα-helixtrans-59.5-46.5176.6163.659000111.6L44 A115 L116 Q120 L121 F122 C139 Y143 S146 L147 F163L44-W118 HydrophobicContact CD1-CH2 4.46Å; L44-W118 HydrophobicContact CD1-CZ3 4.28Å; L44-W118 HydrophobicContact CD2-CH2 4.06Å; A115-W118 WeakPolarHBondContact O-CB 3.14Å; A115-W118 PolarHBondContact O-N 3.36Å; L116-W118 VanDerWaalsContact C-N 3.32Å; L116-W118 PolarHBondContact O-N 3.47Å; W118-Q120 PolarHBondContact O-N 3.01Å; W118-L121 PolarHBondContact O-N 3.45Å; W118-F122 WeakPolarHBondContact O-CB 3.24Å; W118-F122 PolarHBondContact O-N 3.35Å; W118-C139 PolarHBondContact NE1-O 3.4Å; W118-Y143 VanDerWaalsContact CD1-CA 3.41Å; W118-Y143 VanDerWaalsContact CD1-N 3.3Å; W118-S146 VanDerWaalsContact CA-OG 3.26Å; W118-S146 WeakPolarHBondContact CA-OG 3.44Å; W118-S146 WeakPolarHBondContact CB-OG 3.49Å; W118-L147 HydrophobicContact CB-CB 4.03Å; W118-L147 HydrophobicContact CE3-CD2 4.48Å; W118-F163 HydrophobicContact CZ2-CE1 4.27Å
119L92.5Very high95.8Very high4 Ų424.7 Ų24.72%0.02111%0.114CC..Hα-helixtrans-62.9-42.5179.4-74.5173.7000112.3W37 L40 L44 A115 L116 R117 L121 F122 L123W37-L119 HydrophobicContact CH2-CD1 3.69Å; W37-L119 HydrophobicContact CZ3-CD1 3.67Å; L40-L119 HydrophobicContact CB-CD1 4.27Å; L40-L119 HydrophobicContact CD1-CD1 3.9Å; L40-L119 HydrophobicContact CD2-CD1 4.41Å; L40-L119 HydrophobicContact CG-CD1 4.43Å; L44-L119 HydrophobicContact CD2-CD2 4.35Å; A115-L119 PolarHBondContact O-N 3.31Å; A115-L119 VanDerWaalsContact O-N 3.1Å; L116-L119 PolarHBondContact O-N 3.22Å; R117-L119 VanDerWaalsContact C-N 3.35Å; R117-L119 PolarHBondContact O-N 3.07Å; L119-L121 PolarHBondContact O-N 3.33Å; L119-F122 PolarHBondContact O-N 3.21Å; L119-L123 VanDerWaalsContact O-CB 3.3Å; L119-L123 WeakPolarHBondContact O-CB 3.41Å; L119-L123 WeakPolarHBondContact O-CG 3.4Å; L119-L123 PolarHBondContact O-N 3.36Å
120Q94.1Very high95.6Very high3 Ų331.8 Ų31.81%0.01415%0.145CC..Hα-helixtrans-57-51.6175.7-71.4161.3-1.800111.8L116 R117 W118 F122 L123 E124 L195L116-Q120 VanDerWaalsContact O-CG 3.32Å; L116-Q120 WeakPolarHBondContact O-CG 3.46Å; L116-Q120 PolarHBondContact O-N 3.42Å; R117-Q120 PolarHBondContact O-N 2.87Å; W118-Q120 PolarHBondContact O-N 3.01Å; Q120-F122 VanDerWaalsContact C-N 3.29Å; Q120-F122 PolarHBondContact O-N 3.3Å; Q120-L123 PolarHBondContact O-N 2.83Å; Q120-E124 VanDerWaalsContact O-CB 3.28Å; Q120-E124 WeakPolarHBondContact O-CB 3.39Å; Q120-E124 PolarHBondContact O-N 3.05Å; Q120-L195 HydrophobicContact CG-CB 3.77Å; Q120-L195 PolarHBondContact NE2-O 3.23Å
121L96.2Very high95.3Very high25 Ų2538.2 Ų38.213%0.13118%0.175CC..Hα-helixtrans-60.2-42.2-179.8-69.7173.9000111.1R117 W118 L119 R125 A142 E145R117-L121 HydrophobicContact CG-CD1 4.37Å; R117-L121 WeakPolarHBondContact O-CG 3.38Å; R117-L121 PolarHBondContact O-N 3.26Å; R117-L121 VanDerWaalsContact O-N 3.15Å; W118-L121 PolarHBondContact O-N 3.45Å; L119-L121 PolarHBondContact O-N 3.33Å; L121-R125 WeakPolarHBondContact O-CD 3.45Å; L121-R125 WeakPolarHBondContact O-CG 3.42Å; L121-R125 PolarHBondContact O-N 3.45Å; L121-R125 VanDerWaalsContact O-N 3.16Å; L121-A142 HydrophobicContact CB-CB 3.78Å; L121-E145 HydrophobicContact CD1-CB 4.22Å; L121-E145 HydrophobicContact CD1-CG 4.19Å
122F94.7Very high95.2Very high3 Ų342.7 Ų42.71%0.01320%0.202CC..Hα-helixtrans-68.2-47.1179.2175.8-130.4000112.5W118 L119 Q120 E124 R125 L126 M138 C139 A142 F172W118-F122 WeakPolarHBondContact O-CB 3.24Å; W118-F122 PolarHBondContact O-N 3.35Å; L119-F122 PolarHBondContact O-N 3.21Å; Q120-F122 VanDerWaalsContact C-N 3.29Å; Q120-F122 PolarHBondContact O-N 3.3Å; F122-E124 VanDerWaalsContact C-N 3.33Å; F122-E124 PolarHBondContact O-N 3.48Å; F122-R125 PolarHBondContact O-N 3.23Å; F122-L126 WeakPolarHBondContact O-CB 3.5Å; F122-L126 PolarHBondContact O-N 3.34Å; F122-M138 HydrophobicContact CD2-CB 4.26Å; F122-M138 HydrophobicContact CE2-CB 4.26Å; F122-C139 HydrophobicContact CD2-CB 3.74Å; F122-C139 HydrophobicContact CE2-CB 3.61Å; F122-C139 HydrophobicContact CG-CB 4.33Å; F122-C139 HydrophobicContact CZ-CB 4.07Å; F122-A142 HydrophobicContact CB-CB 3.97Å; F122-F172 AromaticContact CE1-CE2 3.66Å; F122-F172 HydrophobicContact CE1-CE2 3.66Å; F122-F172 AromaticContact CE1-CZ 3.53Å; F122-F172 HydrophobicContact CE1-CZ 3.53Å; F122-F172 HydrophobicContact CZ-CD2 4.32Å; F122-F172 AromaticContact CZ-CE2 3.58Å; F122-F172 HydrophobicContact CZ-CE2 3.58Å; F122-F172 AromaticContact CZ-CZ 3.87Å; F122-F172 HydrophobicContact CZ-CZ 3.87Å
123L94.6Very high95.2Very high3 Ų345.7 Ų45.72%0.01622%0.218CC..Hα-helixtrans-64.3-37.4179.4-70.2177.1000112L119 Q120 L126 R127 M176 L188 V192 L195L119-L123 VanDerWaalsContact O-CB 3.3Å; L119-L123 WeakPolarHBondContact O-CB 3.41Å; L119-L123 WeakPolarHBondContact O-CG 3.4Å; L119-L123 PolarHBondContact O-N 3.36Å; Q120-L123 PolarHBondContact O-N 2.83Å; L123-L126 PolarHBondContact O-N 3.4Å; L123-R127 WeakPolarHBondContact O-CB 3.15Å; L123-R127 PolarHBondContact O-N 3.36Å; L123-M176 HydrophobicContact CD2-CE 3.85Å; L123-L188 HydrophobicContact CB-CD2 4.18Å; L123-L188 HydrophobicContact CD2-CD2 3.96Å; L123-L188 HydrophobicContact CG-CD2 4.46Å; L123-V192 HydrophobicContact CB-CG2 3.88Å; L123-L195 HydrophobicContact CD1-CD1 4.08Å
124E97Very high95Very high64 Ų6452.8 Ų52.830%0.29925%0.249SC..Hα-helixtrans-65.8-41.7176.1-178.155.7-168.800112.2Q120 F122 R127 T128 V192Q120-E124 VanDerWaalsContact O-CB 3.28Å; Q120-E124 WeakPolarHBondContact O-CB 3.39Å; Q120-E124 PolarHBondContact O-N 3.05Å; F122-E124 VanDerWaalsContact C-N 3.33Å; F122-E124 PolarHBondContact O-N 3.48Å; E124-R127 WeakPolarHBondContact O-CB 3.46Å; E124-R127 PolarHBondContact O-N 3.49Å; E124-R127 IonicContact OE1-CZ 3.55Å; E124-R127 IonicContact OE1-NE 3.61Å; E124-R127 IonicContact OE1-NH2 2.69Å; E124-R127 PolarHBondContact OE1-NH2 3.5Å; E124-R127 IonicContact OE2-CZ 3.53Å; E124-R127 IonicContact OE2-NE 2.81Å; E124-R127 PolarHBondContact OE2-NE 2.9Å; E124-R127 IonicContact OE2-NH2 3.39Å; E124-R127 PolarHBondContact OE2-NH2 3.28Å; E124-T128 PolarHBondContact O-N 3.12Å; E124-T128 VanDerWaalsContact O-N 3.08Å; E124-T128 PolarHBondContact O-OG1 3.47Å; E124-V192 HydrophobicContact CB-CG1 4Å; E124-V192 HydrophobicContact CG-CG1 4.46Å
125R97.1Very high94.9Very high57 Ų5751.2 Ų51.222%0.21524%0.243CC..Hα-helixtrans-63.8-44.3174.4-70.7167.1-171.9-166.60.8110.9L121 F122 R127 T128 S129 M138 E145L121-R125 WeakPolarHBondContact O-CD 3.45Å; L121-R125 WeakPolarHBondContact O-CG 3.42Å; L121-R125 PolarHBondContact O-N 3.45Å; L121-R125 VanDerWaalsContact O-N 3.16Å; F122-R125 PolarHBondContact O-N 3.23Å; R125-R127 VanDerWaalsContact C-N 3.29Å; R125-R127 PolarHBondContact O-N 3.26Å; R125-T128 PolarHBondContact O-N 3.15Å; R125-T128 PolarHBondContact O-OG1 2.93Å; R125-S129 WeakPolarHBondContact O-CB 3.42Å; R125-S129 PolarHBondContact O-N 3.18Å; R125-M138 HydrophobicContact CB-CB 4.15Å; R125-M138 HydrophobicContact CB-CG 4.24Å; R125-M138 HydrophobicContact CB-SD 3.92Å; R125-M138 PolarHBondContact NH1-O 3Å; R125-E145 IonicContact CZ-OE2 3.61Å; R125-E145 IonicContact NH2-OE2 3.69Å; R125-E145 PolarHBondContact NH2-OE2 3.34Å
126L94.9Very high94.8Very high0 Ų051.9 Ų51.90%025%0.247CC..Hα-helixtrans-62.2-37.8177.7-166.675.2000112.5F122 L123 T128 S129 T135 M138 R169 F172 F173 M176F122-L126 WeakPolarHBondContact O-CB 3.5Å; F122-L126 PolarHBondContact O-N 3.34Å; L123-L126 PolarHBondContact O-N 3.4Å; L126-T128 VanDerWaalsContact C-N 3.35Å; L126-S129 PolarHBondContact O-OG 3.48Å; L126-T135 HydrophobicContact CD1-CG2 3.77Å; L126-M138 HydrophobicContact CD1-CE 3.86Å; L126-R169 HydrophobicContact CD1-CB 4.39Å; L126-R169 HydrophobicContact CD1-CG 3.97Å; L126-R169 PolarHBondContact O-NE 3.45Å; L126-F172 HydrophobicContact CD2-CD1 3.46Å; L126-F172 VanDerWaalsContact CD2-CD1 3.46Å; L126-F172 HydrophobicContact CD2-CE1 3.7Å; L126-F172 HydrophobicContact CD2-CG 4.05Å; L126-F172 HydrophobicContact CD2-CZ 4.42Å; L126-F173 HydrophobicContact CD1-CE1 4.45Å; L126-F173 HydrophobicContact CD2-CD1 4.1Å; L126-F173 HydrophobicContact CD2-CE1 3.72Å; L126-F173 HydrophobicContact CG-CD1 4.39Å; L126-F173 HydrophobicContact CG-CE1 3.67Å; L126-M176 HydrophobicContact CD2-CE 3.46Å; L126-M176 VanDerWaalsContact CD2-CE 3.46Å
127R96Very high94.8Very high72 Ų7254.3 Ų54.327%0.27226%0.262SS..Hα-helixtrans-63.1-40.4175.7-172.6-174.172.279.1-1.2112L123 E124 R125 V185 L188 G189L123-R127 WeakPolarHBondContact O-CB 3.15Å; L123-R127 PolarHBondContact O-N 3.36Å; E124-R127 WeakPolarHBondContact O-CB 3.46Å; E124-R127 PolarHBondContact O-N 3.49Å; E124-R127 IonicContact OE1-CZ 3.55Å; E124-R127 IonicContact OE1-NE 3.61Å; E124-R127 IonicContact OE1-NH2 2.69Å; E124-R127 PolarHBondContact OE1-NH2 3.5Å; E124-R127 IonicContact OE2-CZ 3.53Å; E124-R127 IonicContact OE2-NE 2.81Å; E124-R127 PolarHBondContact OE2-NE 2.9Å; E124-R127 IonicContact OE2-NH2 3.39Å; E124-R127 PolarHBondContact OE2-NH2 3.28Å; R125-R127 VanDerWaalsContact C-N 3.29Å; R125-R127 PolarHBondContact O-N 3.26Å; R127-V185 HydrophobicContact CG-CG1 4.03Å; R127-L188 HydrophobicContact CB-CB 3.97Å; R127-L188 HydrophobicContact CB-CD1 4.05Å; R127-L188 HydrophobicContact CG-CB 3.77Å; R127-L188 HydrophobicContact CG-CD1 4.49Å; R127-G189 VanDerWaalsContact CD-N 3.35Å
128T96.8Very high94.8Very high85 Ų8551.4 Ų51.452%0.52125%0.252SS..Hα-helixtrans-97.1-5.4-172.854.20000114.2E124 R125 L126E124-T128 PolarHBondContact O-N 3.12Å; E124-T128 VanDerWaalsContact O-N 3.08Å; E124-T128 PolarHBondContact O-OG1 3.47Å; R125-T128 PolarHBondContact O-N 3.15Å; R125-T128 PolarHBondContact O-OG1 2.93Å; L126-T128 VanDerWaalsContact C-N 3.35Å
129S96.4Very high94.7Very high14 Ų1451 Ų5110%0.09825%0.25CC..SBendtrans-79.4160.8-179.573.20000113.2R125 L126 D133 M138 R169R125-S129 WeakPolarHBondContact O-CB 3.42Å; R125-S129 PolarHBondContact O-N 3.18Å; L126-S129 PolarHBondContact O-OG 3.48Å; S129-D133 WeakPolarHBondContact CA-OD2 3.3Å; S129-D133 WeakPolarHBondContact CB-OD2 3.5Å; S129-M138 WeakPolarHBondContact CB-SD 3.46Å; S129-R169 PolarHBondContact O-NE 3.46Å; S129-R169 PolarHBondContact O-NH2 3Å; S129-R169 WeakPolarHBondContact OG-CD 3.36Å; S129-R169 PolarHBondContact OG-NE 3.03Å; S129-R169 VanDerWaalsContact OG-NE 3.1Å
130K95.1Very high94.7Very high150 Ų15054.8 Ų54.865%0.65226%0.264SS*.  trans-78.8169.7169-60.9179.2-176.6176.30111D132 D133 R169K130-D132 VanDerWaalsContact C-N 3.34Å; K130-D132 WeakPolarHBondContact CB-OD1 3.49Å; K130-D132 PolarHBondContact O-N 3.03Å; K130-D133 PolarHBondContact N-OD2 3.14Å; K130-D133 PolarHBondContact O-N 3.09Å; K130-R169 WeakPolarHBondContact O-CD 3.47Å
131E91.3Very high94.9Very high136 Ų13657.8 Ų57.864%0.63628%0.28SS*.THydrogen-bonded Turntrans-64.2-37.2-177.7-164.8179.1157.700113.3P170E131-P170 HydrophobicContact CG-CG 3.67Å
132D93.2Very high94.9Very high134 Ų13456.6 Ų56.672%0.71727%0.274SS*.THydrogen-bonded Turntrans-86.7-5.9-177.561.1-39.6000114K130K130-D132 VanDerWaalsContact C-N 3.34Å; K130-D132 WeakPolarHBondContact CB-OD1 3.49Å; K130-D132 PolarHBondContact O-N 3.03Å
133D95.1Very high94.9Very high65 Ų6556.8 Ų56.835%0.34828%0.275SS..SBendtrans-65.8139.4177.7-75.7-27.2000111.7S129 K130 T135 M138S129-D133 WeakPolarHBondContact CA-OD2 3.3Å; S129-D133 WeakPolarHBondContact CB-OD2 3.5Å; K130-D133 PolarHBondContact N-OD2 3.14Å; K130-D133 PolarHBondContact O-N 3.09Å; D133-T135 PolarHBondContact O-N 3.49Å; D133-M138 HydrophobicContact CB-CE 4.33Å
134K94.3Very high94.9Very high149 Ų14960.8 Ų60.865%0.64830%0.296SS*.  trans-80.7108.2-174.9-64.8-177.1-178.5178.70111.3S136 V137 M138K134-S136 PolarHBondContact O-N 2.94Å; K134-V137 HydrophobicContact CB-CB 4.15Å; K134-V137 HydrophobicContact CB-CG2 3.78Å; K134-V137 HydrophobicContact CD-CG2 4.26Å; K134-V137 WeakPolarHBondContact O-CB 3.36Å; K134-V137 PolarHBondContact O-N 3.26Å; K134-M138 PolarHBondContact O-N 3.22Å; K134-M138 VanDerWaalsContact O-N 3.12Å
135T92.9Very high94.9Very high4 Ų462.3 Ų62.33%0.02530%0.303CS..Hα-helixtrans-52.1-37.6172.752.60000113.3L126 D133 V137 M138 C139 P167 R169L126-T135 HydrophobicContact CD1-CG2 3.77Å; D133-T135 PolarHBondContact O-N 3.49Å; T135-V137 VanDerWaalsContact C-N 3.34Å; T135-V137 PolarHBondContact O-N 3.25Å; T135-M138 HydrophobicContact CG2-CE 4.04Å; T135-M138 PolarHBondContact O-N 2.7Å; T135-C139 WeakPolarHBondContact O-CB 3.45Å; T135-C139 PolarHBondContact O-N 3.45Å; T135-P167 WeakPolarHBondContact CB-O 3.45Å; T135-P167 WeakPolarHBondContact CG2-O 3.44Å; T135-P167 PolarHBondContact OG1-O 3.48Å; T135-R169 HydrophobicContact CG2-CB 4.02Å
136S92.6Very high94.8Very high30 Ų3060.1 Ų60.121%0.2130%0.296CS..Hα-helixtrans-60.7-39.9175.957.80000113.2K134 R140 F163K134-S136 PolarHBondContact O-N 2.94Å; S136-R140 VanDerWaalsContact O-CB 3.25Å; S136-R140 WeakPolarHBondContact O-CB 3.42Å; S136-R140 PolarHBondContact O-N 3.45Å; S136-R140 VanDerWaalsContact O-N 3.09Å; S136-F163 WeakPolarHBondContact CB-O 3.27Å
137V94.9Very high94.7Very high52 Ų5261 Ų6132%0.31530%0.301SS..Hα-helixtrans-70-50.6176.8177.20000109.7K134 T135 C139 R140 D141K134-V137 HydrophobicContact CB-CB 4.15Å; K134-V137 HydrophobicContact CB-CG2 3.78Å; K134-V137 HydrophobicContact CD-CG2 4.26Å; K134-V137 WeakPolarHBondContact O-CB 3.36Å; K134-V137 PolarHBondContact O-N 3.26Å; T135-V137 VanDerWaalsContact C-N 3.34Å; T135-V137 PolarHBondContact O-N 3.25Å; V137-C139 VanDerWaalsContact C-N 3.3Å; V137-C139 PolarHBondContact O-N 3.22Å; V137-R140 PolarHBondContact O-N 3.38Å; V137-D141 WeakPolarHBondContact CG1-OD2 3.35Å; V137-D141 WeakPolarHBondContact O-CB 3.42Å; V137-D141 PolarHBondContact O-N 3.48Å
138M95.4Very high94.6Very high20 Ų2057.9 Ų57.910%0.09929%0.291CS..Hα-helixtrans-56-44.4179.4-65.7-171.7-76.800112.5F122 R125 L126 S129 D133 K134 T135 A142F122-M138 HydrophobicContact CD2-CB 4.26Å; F122-M138 HydrophobicContact CE2-CB 4.26Å; R125-M138 HydrophobicContact CB-CB 4.15Å; R125-M138 HydrophobicContact CB-CG 4.24Å; R125-M138 HydrophobicContact CB-SD 3.92Å; R125-M138 PolarHBondContact NH1-O 3Å; L126-M138 HydrophobicContact CD1-CE 3.86Å; S129-M138 WeakPolarHBondContact CB-SD 3.46Å; D133-M138 HydrophobicContact CB-CE 4.33Å; K134-M138 PolarHBondContact O-N 3.22Å; K134-M138 VanDerWaalsContact O-N 3.12Å; T135-M138 HydrophobicContact CG2-CE 4.04Å; T135-M138 PolarHBondContact O-N 2.7Å; M138-A142 WeakPolarHBondContact O-CB 3.45Å; M138-A142 PolarHBondContact O-N 3.01Å
139C92.9Very high94.5Very high0 Ų060.7 Ų60.70%030%0.298CS..Hα-helixtrans-66.9-44.9179.7-172.80000112.4W118 F122 T135 V137 A142 Y143 F163 L166W118-C139 PolarHBondContact NE1-O 3.4Å; F122-C139 HydrophobicContact CD2-CB 3.74Å; F122-C139 HydrophobicContact CE2-CB 3.61Å; F122-C139 HydrophobicContact CG-CB 4.33Å; F122-C139 HydrophobicContact CZ-CB 4.07Å; T135-C139 WeakPolarHBondContact O-CB 3.45Å; T135-C139 PolarHBondContact O-N 3.45Å; V137-C139 VanDerWaalsContact C-N 3.3Å; V137-C139 PolarHBondContact O-N 3.22Å; C139-A142 PolarHBondContact O-N 3.48Å; C139-Y143 WeakPolarHBondContact O-CB 3.41Å; C139-Y143 PolarHBondContact O-N 3.41Å; C139-F163 HydrophobicContact CB-CD1 4.36Å; C139-F163 WeakPolarHBondContact SG-CD1 3.37Å; C139-F163 VanDerWaalsContact SG-CE1 3.52Å; C139-L166 HydrophobicContact CB-CD1 3.33Å
140R94.3Very high94.3Very high84 Ų8464.1 Ų64.132%0.31731%0.312SS..Hα-helixtrans-62-44.6176.6179.8177.664.3-170.3-1.3111.8S136 V137 A142 Y143 N144 F163S136-R140 VanDerWaalsContact O-CB 3.25Å; S136-R140 WeakPolarHBondContact O-CB 3.42Å; S136-R140 PolarHBondContact O-N 3.45Å; S136-R140 VanDerWaalsContact O-N 3.09Å; V137-R140 PolarHBondContact O-N 3.38Å; R140-A142 VanDerWaalsContact C-N 3.29Å; R140-A142 PolarHBondContact O-N 3.3Å; R140-Y143 WeakPolarHBondContact O-CB 3.46Å; R140-Y143 PolarHBondContact O-N 3.26Å; R140-N144 WeakPolarHBondContact O-CB 3.39Å; R140-N144 VanDerWaalsContact O-CG 3.31Å; R140-N144 PolarHBondContact O-N 3.1Å; R140-N144 PolarHBondContact O-ND2 3.29Å; R140-F163 HydrophobicContact CB-CD2 3.68Å; R140-F163 HydrophobicContact CB-CE2 4.26Å; R140-F163 HydrophobicContact CB-CG 4.43Å; R140-F163 HydrophobicContact CG-CD2 4.09Å; R140-F163 HydrophobicContact CG-CE2 4.49Å
141D96.7Very high94.1Very high66 Ų6659.7 Ų59.735%0.35329%0.294SS..Hα-helixtrans-67-37.4-178.8-67.5-6.9000110V137 Y143 N144 E145V137-D141 WeakPolarHBondContact CG1-OD2 3.35Å; V137-D141 WeakPolarHBondContact O-CB 3.42Å; V137-D141 PolarHBondContact O-N 3.48Å; D141-Y143 VanDerWaalsContact C-N 3.32Å; D141-Y143 PolarHBondContact O-N 3.45Å; D141-N144 PolarHBondContact O-N 2.88Å; D141-E145 WeakPolarHBondContact O-CB 3.48Å; D141-E145 PolarHBondContact O-N 3.11Å; D141-E145 VanDerWaalsContact O-N 3.08Å
142A96.1Very high94.1Very high0 Ų057.3 Ų57.30%029%0.289CS..Hα-helixtrans-67-40178.200000110L121 F122 M138 C139 R140 S146L121-A142 HydrophobicContact CB-CB 3.78Å; F122-A142 HydrophobicContact CB-CB 3.97Å; M138-A142 WeakPolarHBondContact O-CB 3.45Å; M138-A142 PolarHBondContact O-N 3.01Å; C139-A142 PolarHBondContact O-N 3.48Å; R140-A142 VanDerWaalsContact C-N 3.29Å; R140-A142 PolarHBondContact O-N 3.3Å; A142-S146 PolarHBondContact O-N 3.13Å; A142-S146 PolarHBondContact O-OG 3.15Å
143Y94.8Very high94Very high7 Ų758.5 Ų58.53%0.02728%0.283CS..Hα-helixtrans-63.4-46.1176.9175-96.5000111.7W118 C139 R140 D141 E145 S146 L147 A148 H151 R156 A159 F163W118-Y143 VanDerWaalsContact CD1-CA 3.41Å; W118-Y143 VanDerWaalsContact CD1-N 3.3Å; C139-Y143 WeakPolarHBondContact O-CB 3.41Å; C139-Y143 PolarHBondContact O-N 3.41Å; R140-Y143 WeakPolarHBondContact O-CB 3.46Å; R140-Y143 PolarHBondContact O-N 3.26Å; D141-Y143 VanDerWaalsContact C-N 3.32Å; D141-Y143 PolarHBondContact O-N 3.45Å; Y143-E145 VanDerWaalsContact C-N 3.33Å; Y143-E145 PolarHBondContact O-N 2.75Å; Y143-S146 CarbonylContact O-C 3.46Å; Y143-S146 PolarHBondContact O-N 3.36Å; Y143-L147 HydrophobicContact CD2-CB 4.02Å; Y143-L147 HydrophobicContact CD2-CD2 4.33Å; Y143-L147 HydrophobicContact CE2-CB 4.16Å; Y143-L147 HydrophobicContact CE2-CD2 4.18Å; Y143-L147 HydrophobicContact CE2-CG 4.27Å; Y143-L147 PolarHBondContact O-N 3.49Å; Y143-A148 HydrophobicContact CD1-CB 3.79Å; Y143-A148 HydrophobicContact CE1-CB 3.58Å; Y143-A148 VanDerWaalsContact O-CB 3.22Å; Y143-A148 WeakPolarHBondContact O-CB 3.28Å; Y143-A148 PolarHBondContact O-N 3.27Å; Y143-H151 AromaticContact CE2-CE1 3.97Å; Y143-H151 AromaticContact CE2-ND1 3.45Å; Y143-H151 WeakPolarHBondContact CE2-ND1 3.48Å; Y143-H151 AromaticContact CZ-ND1 3.51Å; Y143-H151 PolarHBondContact OH-ND1 2.9Å; Y143-R156 HydrophobicContact CE1-CB 4.35Å; Y143-R156 HydrophobicContact CE1-CG 4.06Å; Y143-R156 WeakPolarHBondContact OH-CA 3.3Å; Y143-A159 HydrophobicContact CE1-CB 4.1Å; Y143-A159 HydrophobicContact CE2-CB 3.96Å; Y143-F163 AromaticContact CD1-CE2 3.88Å; Y143-F163 HydrophobicContact CD1-CE2 3.88Å; Y143-F163 HydrophobicContact CD1-CZ 4.12Å; Y143-F163 HydrophobicContact CD2-CE2 4.42Å; Y143-F163 AromaticContact CD2-CZ 3.82Å; Y143-F163 HydrophobicContact CD2-CZ 3.82Å; Y143-F163 HydrophobicContact CE2-CZ 4.49Å; Y143-F163 AromaticContact CG-CE2 3.77Å; Y143-F163 HydrophobicContact CG-CE2 3.77Å; Y143-F163 AromaticContact CG-CZ 3.58Å; Y143-F163 HydrophobicContact CG-CZ 3.58Å
144N96.1Very high93.8Very high87 Ų8760.8 Ų60.847%0.46530%0.295SS..Hα-helixtrans-64.2-36.6180-74.2-24.6000112.7R140 D141 S146R140-N144 WeakPolarHBondContact O-CB 3.39Å; R140-N144 VanDerWaalsContact O-CG 3.31Å; R140-N144 PolarHBondContact O-N 3.1Å; R140-N144 PolarHBondContact O-ND2 3.29Å; D141-N144 PolarHBondContact O-N 2.88Å; N144-S146 VanDerWaalsContact C-N 3.26Å; N144-S146 PolarHBondContact O-N 2.91Å
145E96.9Very high93.6Very high97 Ų9757.5 Ų57.545%0.45328%0.284SS..Hα-helixtrans-69.4-24.2177-170.3-179.2136.500112.8L121 R125 D141 Y143 Q149L121-E145 HydrophobicContact CD1-CB 4.22Å; L121-E145 HydrophobicContact CD1-CG 4.19Å; R125-E145 IonicContact CZ-OE2 3.61Å; R125-E145 IonicContact NH2-OE2 3.69Å; R125-E145 PolarHBondContact NH2-OE2 3.34Å; D141-E145 WeakPolarHBondContact O-CB 3.48Å; D141-E145 PolarHBondContact O-N 3.11Å; D141-E145 VanDerWaalsContact O-N 3.08Å; Y143-E145 VanDerWaalsContact C-N 3.33Å; Y143-E145 PolarHBondContact O-N 2.75Å; E145-Q149 PolarHBondContact O-NE2 3.04Å
146S95.2Very high93.6Very high10 Ų1062.6 Ų62.67%0.0730%0.302CS..THydrogen-bonded Turntrans-126.8-95.2-170.560.80000112.3W118 A142 Y143 N144 A148 Q149W118-S146 VanDerWaalsContact CA-OG 3.26Å; W118-S146 WeakPolarHBondContact CA-OG 3.44Å; W118-S146 WeakPolarHBondContact CB-OG 3.49Å; A142-S146 PolarHBondContact O-N 3.13Å; A142-S146 PolarHBondContact O-OG 3.15Å; Y143-S146 CarbonylContact O-C 3.46Å; Y143-S146 PolarHBondContact O-N 3.36Å; N144-S146 VanDerWaalsContact C-N 3.26Å; N144-S146 PolarHBondContact O-N 2.91Å; S146-A148 PolarHBondContact O-N 3.16Å; S146-Q149 WeakPolarHBondContact O-CB 3.31Å; S146-Q149 WeakPolarHBondContact O-CG 3.32Å; S146-Q149 PolarHBondContact O-N 2.66Å; S146-Q149 VanDerWaalsContact O-N 3.08Å
147L92.6Very high93.4Very high18 Ų1866.7 Ų66.79%0.09432%0.316CS..G310 helixtrans-62.1-24.8-166.2-167.562.4000113.9R114 A115 W118 Y143 Q149 H150 H151R114-L147 HydrophobicContact CB-CD1 3.85Å; A115-L147 HydrophobicContact CB-CD1 4.42Å; A115-L147 HydrophobicContact CB-CD2 4.31Å; W118-L147 HydrophobicContact CB-CB 4.03Å; W118-L147 HydrophobicContact CE3-CD2 4.48Å; Y143-L147 HydrophobicContact CD2-CB 4.02Å; Y143-L147 HydrophobicContact CD2-CD2 4.33Å; Y143-L147 HydrophobicContact CE2-CB 4.16Å; Y143-L147 HydrophobicContact CE2-CD2 4.18Å; Y143-L147 HydrophobicContact CE2-CG 4.27Å; Y143-L147 PolarHBondContact O-N 3.49Å; L147-Q149 PolarHBondContact O-N 3.46Å; L147-H150 PolarHBondContact O-N 3.38Å; L147-H150 VanDerWaalsContact O-N 3.1Å; L147-H151 WeakPolarHBondContact CG-CE1 3.14Å; L147-H151 PolarHBondContact O-ND1 3.07Å
148A93.9Very high93.1Very high7 Ų766.6 Ų66.66%0.05832%0.318CS..G310 helixtrans-58-29.6175.900000113.3Y143 S146 H150 H151 R156Y143-A148 HydrophobicContact CD1-CB 3.79Å; Y143-A148 HydrophobicContact CE1-CB 3.58Å; Y143-A148 VanDerWaalsContact O-CB 3.22Å; Y143-A148 WeakPolarHBondContact O-CB 3.28Å; Y143-A148 PolarHBondContact O-N 3.27Å; S146-A148 PolarHBondContact O-N 3.16Å; A148-H150 PolarHBondContact O-N 3.09Å; A148-H151 PolarHBondContact O-N 3.22Å; A148-R156 HydrophobicContact CB-CG 4.33Å; A148-R156 WeakPolarHBondContact O-CD 3.47Å
149Q94.3Very high92.7Very high145 Ų14566.1 Ų66.168%0.67832%0.317SS*.G310 helixtrans-64.7-22179.6-58.9179.915.900112.4E145 S146 L147E145-Q149 PolarHBondContact O-NE2 3.04Å; S146-Q149 WeakPolarHBondContact O-CB 3.31Å; S146-Q149 WeakPolarHBondContact O-CG 3.32Å; S146-Q149 PolarHBondContact O-N 2.66Å; S146-Q149 VanDerWaalsContact O-N 3.08Å; L147-Q149 PolarHBondContact O-N 3.46Å
150H91.5Very high92.4Very high85 Ų8567 Ų6739%0.39433%0.327SS..G310 helixtrans-104.60.5-178-51.7-63.2000113.4R114 L147 A148R114-H150 VanDerWaalsContact CD-CD2 3.46Å; R114-H150 WeakPolarHBondContact CD-CD2 3.49Å; R114-H150 PolarHBondContact NE-CE1 2.95Å; R114-H150 PolarHBondContact NE-ND1 3.43Å; L147-H150 PolarHBondContact O-N 3.38Å; L147-H150 VanDerWaalsContact O-N 3.1Å; A148-H150 PolarHBondContact O-N 3.09Å
151H90.6Very high92.1Very high57 Ų5769.2 Ų69.226%0.26434%0.342SS..SBendtrans-109.8140.9-174.2-76.2159000112.5Y143 L147 A148 I155 R156Y143-H151 AromaticContact CE2-CE1 3.97Å; Y143-H151 AromaticContact CE2-ND1 3.45Å; Y143-H151 WeakPolarHBondContact CE2-ND1 3.48Å; Y143-H151 AromaticContact CZ-ND1 3.51Å; Y143-H151 PolarHBondContact OH-ND1 2.9Å; L147-H151 WeakPolarHBondContact CG-CE1 3.14Å; L147-H151 PolarHBondContact O-ND1 3.07Å; A148-H151 PolarHBondContact O-N 3.22Å; H151-I155 HydrophobicContact CB-CB 4.04Å; H151-I155 HydrophobicContact CB-CG2 3.84Å; H151-R156 HydrophobicContact CB-CG 3.92Å; H151-R156 PolarHBondContact O-NE 2.99Å
152T91.8Very high91.5Very high87 Ų8766.4 Ų66.453%0.53433%0.328SS..  trans-62.2159.4172.664.80000110.6L154 I155 R156T152-L154 PolarHBondContact O-N 3.48Å; T152-I155 PolarHBondContact O-N 3.47Å; T152-I155 VanDerWaalsContact O-N 3.15Å; T152-I155 WeakPolarHBondContact OG1-CG1 3.32Å; T152-R156 WeakPolarHBondContact O-CG 3.35Å; T152-R156 PolarHBondContact O-N 2.78Å
153W92Very high91.2Very high159 Ų15966.6 Ų66.660%0.60233%0.329SS*.Hα-helixtrans-53-39.9177.7178.490.9000112.8R156 K157W153-R156 PolarHBondContact O-N 3.12Å; W153-K157 HydrophobicContact CD2-CG 4.05Å; W153-K157 HydrophobicContact CE3-CG 4.3Å; W153-K157 HydrophobicContact CH2-CG 4.08Å; W153-K157 HydrophobicContact CZ2-CD 4.2Å; W153-K157 VanDerWaalsContact CZ2-CE 3.41Å; W153-K157 HydrophobicContact CZ2-CG 3.82Å; W153-K157 HydrophobicContact CZ3-CG 4.3Å; W153-K157 WeakPolarHBondContact O-CG 3.46Å; W153-K157 PolarHBondContact O-N 2.91Å
154L90.6Very high90.9Very high113 Ų11374.1 Ų74.159%0.59236%0.359SS*.Hα-helixtrans-63.3-46.5179-176.961.6000111.8T152 R156 K157 S158T152-L154 PolarHBondContact O-N 3.48Å; L154-R156 VanDerWaalsContact C-N 3.33Å; L154-R156 PolarHBondContact O-N 2.94Å; L154-K157 PolarHBondContact O-N 3.16Å; L154-S158 PolarHBondContact O-N 3.47Å; L154-S158 PolarHBondContact O-OG 3.4Å
155I89.7Confident90.4Very high79 Ų7972.2 Ų72.241%0.40535%0.352SS..Hα-helixtrans-62.9-42178-64.5170.7000110.4H151 T152 K157 S158 A159H151-I155 HydrophobicContact CB-CB 4.04Å; H151-I155 HydrophobicContact CB-CG2 3.84Å; T152-I155 PolarHBondContact O-N 3.47Å; T152-I155 VanDerWaalsContact O-N 3.15Å; T152-I155 WeakPolarHBondContact OG1-CG1 3.32Å; I155-K157 VanDerWaalsContact C-N 3.33Å; I155-K157 PolarHBondContact O-N 3.09Å; I155-S158 PolarHBondContact O-N 3.48Å; I155-A159 WeakPolarHBondContact O-CB 3.31Å; I155-A159 PolarHBondContact O-N 3.15Å
156R91.9Very high90Very high112 Ų11268.3 Ų68.342%0.42333%0.334SS..Hα-helixtrans-59.6-41.1176.5-69.7-173-73173.6-0.9112.6Y143 A148 H151 T152 W153 L154 G160Y143-R156 HydrophobicContact CE1-CB 4.35Å; Y143-R156 HydrophobicContact CE1-CG 4.06Å; Y143-R156 WeakPolarHBondContact OH-CA 3.3Å; A148-R156 HydrophobicContact CB-CG 4.33Å; A148-R156 WeakPolarHBondContact O-CD 3.47Å; H151-R156 HydrophobicContact CB-CG 3.92Å; H151-R156 PolarHBondContact O-NE 2.99Å; T152-R156 WeakPolarHBondContact O-CG 3.35Å; T152-R156 PolarHBondContact O-N 2.78Å; W153-R156 PolarHBondContact O-N 3.12Å; L154-R156 VanDerWaalsContact C-N 3.33Å; L154-R156 PolarHBondContact O-N 2.94Å; R156-G160 PolarHBondContact O-N 2.63Å
157K90Very high89.7Confident115 Ų11569.5 Ų69.550%0.534%0.341SS..Hα-helixtrans-65.1-46.4176.3-72.7-65.4-172.5179.50111.9W153 L154 I155 G160 M161W153-K157 HydrophobicContact CD2-CG 4.05Å; W153-K157 HydrophobicContact CE3-CG 4.3Å; W153-K157 HydrophobicContact CH2-CG 4.08Å; W153-K157 HydrophobicContact CZ2-CD 4.2Å; W153-K157 VanDerWaalsContact CZ2-CE 3.41Å; W153-K157 HydrophobicContact CZ2-CG 3.82Å; W153-K157 HydrophobicContact CZ3-CG 4.3Å; W153-K157 WeakPolarHBondContact O-CG 3.46Å; W153-K157 PolarHBondContact O-N 2.91Å; L154-K157 PolarHBondContact O-N 3.16Å; I155-K157 VanDerWaalsContact C-N 3.33Å; I155-K157 PolarHBondContact O-N 3.09Å; K157-G160 PolarHBondContact O-N 3.23Å; K157-M161 PolarHBondContact O-N 3.14Å; K157-M161 VanDerWaalsContact O-N 3.11Å
158S87.3Confident89.7Confident51 Ų5173.4 Ų73.436%0.35737%0.366SS..Hα-helixtrans-61.9-44.4177.7-60.40000112.4L154 I155 G160 M161 A162L154-S158 PolarHBondContact O-N 3.47Å; L154-S158 PolarHBondContact O-OG 3.4Å; I155-S158 PolarHBondContact O-N 3.48Å; S158-G160 PolarHBondContact O-N 3.26Å; S158-M161 PolarHBondContact O-N 3.35Å; S158-A162 PolarHBondContact O-N 3.26Å; S158-A162 VanDerWaalsContact O-N 3.09Å
159A87Confident89.8Confident9 Ų974.3 Ų74.37%0.07437%0.368CS..Hα-helixtrans-60.2-45.2175.300000111.7Y143 I155 M161 A162 F163Y143-A159 HydrophobicContact CE1-CB 4.1Å; Y143-A159 HydrophobicContact CE2-CB 3.96Å; I155-A159 WeakPolarHBondContact O-CB 3.31Å; I155-A159 PolarHBondContact O-N 3.15Å; A159-M161 VanDerWaalsContact C-N 3.26Å; A159-M161 PolarHBondContact O-N 3.12Å; A159-A162 WeakPolarHBondContact O-CB 3.45Å; A159-A162 PolarHBondContact O-N 3.41Å; A159-A162 VanDerWaalsContact O-N 3.07Å; A159-F163 HydrophobicContact CB-CE2 4.16Å; A159-F163 HydrophobicContact CB-CZ 3.9Å; A159-F163 WeakPolarHBondContact O-CD1 3.42Å; A159-F163 VanDerWaalsContact O-CD2 3.29Å; A159-F163 WeakPolarHBondContact O-CD2 3.47Å; A159-F163 VanDerWaalsContact O-CG 3.26Å; A159-F163 WeakPolarHBondContact O-CG 3.4Å; A159-F163 PolarHBondContact O-N 3.23Å
160G87.5Confident89.7Confident20 Ų2069.4 Ų69.421%0.20635%0.348CS..Hα-helixtrans-56.8-37.2175.900000113.7R156 K157 S158 Y164R156-G160 PolarHBondContact O-N 2.63Å; K157-G160 PolarHBondContact O-N 3.23Å; S158-G160 PolarHBondContact O-N 3.26Å; G160-Y164 VanDerWaalsContact O-CD2 3.22Å; G160-Y164 WeakPolarHBondContact O-CD2 3.09Å; G160-Y164 WeakPolarHBondContact O-CE2 3.39Å
161M87.3Confident89.8Confident129 Ų12966.9 Ų66.964%0.63534%0.343SS*.Hα-helixtrans-69-42.3174.3-68.4-171.2-64.500112.2K157 S158 A159 F163 Y164K157-M161 PolarHBondContact O-N 3.14Å; K157-M161 VanDerWaalsContact O-N 3.11Å; S158-M161 PolarHBondContact O-N 3.35Å; A159-M161 VanDerWaalsContact C-N 3.26Å; A159-M161 PolarHBondContact O-N 3.12Å; M161-F163 VanDerWaalsContact C-N 3.27Å; M161-F163 PolarHBondContact O-N 3.4Å; M161-Y164 PolarHBondContact O-N 3Å
162A85.4Confident89.8Confident7 Ų764.2 Ų64.26%0.05833%0.33CS..Hα-helixtrans-62.3-32.9178.300000112.6L50 F51 I54 S158 A159 Y164 S165L50-A162 HydrophobicContact CB-CB 4.49Å; F51-A162 WeakPolarHBondContact CE2-O 3.3Å; I54-A162 HydrophobicContact CD1-CB 3.63Å; S158-A162 PolarHBondContact O-N 3.26Å; S158-A162 VanDerWaalsContact O-N 3.09Å; A159-A162 WeakPolarHBondContact O-CB 3.45Å; A159-A162 PolarHBondContact O-N 3.41Å; A159-A162 VanDerWaalsContact O-N 3.07Å; A162-Y164 PolarHBondContact O-N 2.84Å; A162-S165 PolarHBondContact O-N 2.91Å; A162-S165 PolarHBondContact O-OG 2.89Å
163F89Confident89.9Confident5 Ų560.4 Ų60.42%0.02231%0.306CS..Hα-helixtrans-63.6-24.3178.9-56.6-33.7000113.9F51 W118 S136 C139 R140 Y143 A159 M161 S165 L166F51-F163 HydrophobicContact CE1-CD1 4.27Å; F51-F163 HydrophobicContact CE1-CE1 4.49Å; F51-F163 HydrophobicContact CZ-CD1 4.2Å; W118-F163 HydrophobicContact CZ2-CE1 4.27Å; S136-F163 WeakPolarHBondContact CB-O 3.27Å; C139-F163 HydrophobicContact CB-CD1 4.36Å; C139-F163 WeakPolarHBondContact SG-CD1 3.37Å; C139-F163 VanDerWaalsContact SG-CE1 3.52Å; R140-F163 HydrophobicContact CB-CD2 3.68Å; R140-F163 HydrophobicContact CB-CE2 4.26Å; R140-F163 HydrophobicContact CB-CG 4.43Å; R140-F163 HydrophobicContact CG-CD2 4.09Å; R140-F163 HydrophobicContact CG-CE2 4.49Å; Y143-F163 AromaticContact CD1-CE2 3.88Å; Y143-F163 HydrophobicContact CD1-CE2 3.88Å; Y143-F163 HydrophobicContact CD1-CZ 4.12Å; Y143-F163 HydrophobicContact CD2-CE2 4.42Å; Y143-F163 AromaticContact CD2-CZ 3.82Å; Y143-F163 HydrophobicContact CD2-CZ 3.82Å; Y143-F163 HydrophobicContact CE2-CZ 4.49Å; Y143-F163 AromaticContact CG-CE2 3.77Å; Y143-F163 HydrophobicContact CG-CE2 3.77Å; Y143-F163 AromaticContact CG-CZ 3.58Å; Y143-F163 HydrophobicContact CG-CZ 3.58Å; A159-F163 HydrophobicContact CB-CE2 4.16Å; A159-F163 HydrophobicContact CB-CZ 3.9Å; A159-F163 WeakPolarHBondContact O-CD1 3.42Å; A159-F163 VanDerWaalsContact O-CD2 3.29Å; A159-F163 WeakPolarHBondContact O-CD2 3.47Å; A159-F163 VanDerWaalsContact O-CG 3.26Å; A159-F163 WeakPolarHBondContact O-CG 3.4Å; A159-F163 PolarHBondContact O-N 3.23Å; M161-F163 VanDerWaalsContact C-N 3.27Å; M161-F163 PolarHBondContact O-N 3.4Å; F163-S165 PolarHBondContact O-N 3.04Å; F163-L166 HydrophobicContact CB-CD1 4.43Å; F163-L166 HydrophobicContact CD1-CD1 4.44Å; F163-L166 WeakPolarHBondContact O-CB 3.39Å; F163-L166 PolarHBondContact O-N 2.86Å
164Y87.6Confident90Very high165 Ų16559.9 Ų59.965%0.64731%0.311SS*.THydrogen-bonded Turntrans-69.8-18.5174.4-69.2-74.4000113.4G160 M161 A162 L166G160-Y164 VanDerWaalsContact O-CD2 3.22Å; G160-Y164 WeakPolarHBondContact O-CD2 3.09Å; G160-Y164 WeakPolarHBondContact O-CE2 3.39Å; M161-Y164 PolarHBondContact O-N 3Å; A162-Y164 PolarHBondContact O-N 2.84Å; Y164-L166 VanDerWaalsContact C-N 3.31Å
165S86.5Confident90Very high46 Ų4656.4 Ų56.432%0.32229%0.294SS..THydrogen-bonded Turntrans-89.34.4177790000113.2A162 F163A162-S165 PolarHBondContact O-N 2.91Å; A162-S165 PolarHBondContact O-OG 2.89Å; F163-S165 PolarHBondContact O-N 3.04Å
166L87.4Confident90.2Very high16 Ų1652.6 Ų52.68%0.08427%0.274CS..PPolyproline II helixtrans-66.9136.7176.8-78.1168.9000110.8L47 F51 C139 F163 Y164 F172L47-L166 HydrophobicContact CD1-CD2 3.99Å; F51-L166 HydrophobicContact CD2-CD2 4.26Å; F51-L166 HydrophobicContact CE1-CD2 4Å; F51-L166 HydrophobicContact CE1-CG 4.41Å; F51-L166 HydrophobicContact CE2-CD2 3.39Å; F51-L166 HydrophobicContact CE2-CG 3.65Å; F51-L166 HydrophobicContact CZ-CD1 3.94Å; F51-L166 HydrophobicContact CZ-CD2 3.26Å; F51-L166 HydrophobicContact CZ-CG 3.38Å; C139-L166 HydrophobicContact CB-CD1 3.33Å; F163-L166 HydrophobicContact CB-CD1 4.43Å; F163-L166 HydrophobicContact CD1-CD1 4.44Å; F163-L166 WeakPolarHBondContact O-CB 3.39Å; F163-L166 PolarHBondContact O-N 2.86Å; Y164-L166 VanDerWaalsContact C-N 3.31Å; L166-F172 HydrophobicContact CD2-CE2 4.06Å
167P90.3Very high90.2Very high34 Ų3451.3 Ų51.322%0.22128%0.276CS..PPolyproline II helixtrans-66.5157.517330.3-34.8000110.3L47 T135 A171 F172L47-P167 HydrophobicContact CD2-CG 3.69Å; T135-P167 WeakPolarHBondContact CB-O 3.45Å; T135-P167 WeakPolarHBondContact CG2-O 3.44Å; T135-P167 PolarHBondContact OG1-O 3.48Å; P167-A171 HydrophobicContact CB-CB 3.86Å; P167-F172 HydrophobicContact CG-CB 4.3Å; P167-F172 HydrophobicContact CG-CD2 4.06Å
168V92.8Very high90.4Very high101 Ų10147.2 Ų47.261%0.61226%0.26SS*.PPolyproline II helixtrans-60.6160.9169.3-65.50000111A171 F172V168-A171 HydrophobicContact CG2-CB 4.28Å; V168-A171 PolarHBondContact O-N 3.01Å; V168-F172 PolarHBondContact O-N 3.02Å
169R94.3Very high90.6Very high25 Ų2547.3 Ų47.39%0.09427%0.27CS..Hα-helixtrans-55.1-45-172.4178.5-178.9-178.9-92.18.6114.3L126 S129 K130 T135 A171 F172 F173L126-R169 HydrophobicContact CD1-CB 4.39Å; L126-R169 HydrophobicContact CD1-CG 3.97Å; L126-R169 PolarHBondContact O-NE 3.45Å; S129-R169 PolarHBondContact O-NE 3.46Å; S129-R169 PolarHBondContact O-NH2 3Å; S129-R169 WeakPolarHBondContact OG-CD 3.36Å; S129-R169 PolarHBondContact OG-NE 3.03Å; S129-R169 VanDerWaalsContact OG-NE 3.1Å; K130-R169 WeakPolarHBondContact O-CD 3.47Å; T135-R169 HydrophobicContact CG2-CB 4.02Å; R169-A171 PolarHBondContact O-N 3.2Å; R169-F172 WeakPolarHBondContact O-CB 3.46Å; R169-F172 PolarHBondContact O-N 3.34Å; R169-F172 VanDerWaalsContact O-N 3.12Å; R169-F173 HydrophobicContact CG-CD1 4.29Å; R169-F173 HydrophobicContact CG-CE1 4.18Å; R169-F173 HydrophobicContact CG-CZ 4.3Å; R169-F173 VanDerWaalsContact CZ-CZ 3.4Å; R169-F173 VanDerWaalsContact NH2-CE2 3.3Å; R169-F173 VanDerWaalsContact NH2-CZ 3.31Å; R169-F173 PolarHBondContact O-N 3.15Å
170P94.2Very high91.1Very high42 Ų4250 Ų5027%0.27329%0.285SS..Hα-helixtrans-56.4-48.8177.4-27.836000113E131 F172 F173 E174E131-P170 HydrophobicContact CG-CG 3.67Å; P170-F172 VanDerWaalsContact C-N 3.29Å; P170-F172 PolarHBondContact O-N 3.45Å; P170-F173 WeakPolarHBondContact O-CB 3.31Å; P170-F173 PolarHBondContact O-N 2.59Å; P170-F173 VanDerWaalsContact O-N 3.11Å; P170-E174 WeakPolarHBondContact O-CG 3.42Å; P170-E174 PolarHBondContact O-N 2.96Å
171A91.7Very high91.5Very high33 Ų3352 Ų5227%0.27329%0.294SS..Hα-helixtrans-65.3-32.6177.300000112.3P167 V168 R169 E174 V175P167-A171 HydrophobicContact CB-CB 3.86Å; V168-A171 HydrophobicContact CG2-CB 4.28Å; V168-A171 PolarHBondContact O-N 3.01Å; R169-A171 PolarHBondContact O-N 3.2Å; A171-E174 PolarHBondContact O-N 3.48Å; A171-V175 WeakPolarHBondContact O-CG2 2.87Å; A171-V175 PolarHBondContact O-N 3.18Å
172F91.8Very high91.9Very high1 Ų151.6 Ų51.60%0.00429%0.291CS..Hα-helixtrans-63.6-43.1172-157.1-65.8000111.4L43 L47 F122 L126 L166 P167 V168 R169 P170 V175 M176L43-F172 HydrophobicContact CD1-CE1 4.04Å; L43-F172 HydrophobicContact CD1-CZ 4.48Å; L43-F172 HydrophobicContact CD2-CE1 4.43Å; L47-F172 HydrophobicContact CD1-CD2 4.21Å; L47-F172 HydrophobicContact CD1-CE1 4.45Å; L47-F172 HydrophobicContact CD1-CE2 3.29Å; L47-F172 HydrophobicContact CD1-CZ 3.44Å; L47-F172 VanDerWaalsContact CD1-CZ 3.44Å; L47-F172 HydrophobicContact CD2-CD1 4.36Å; L47-F172 HydrophobicContact CD2-CD2 3.52Å; L47-F172 HydrophobicContact CD2-CE1 4.3Å; L47-F172 HydrophobicContact CD2-CE2 3.48Å; L47-F172 VanDerWaalsContact CD2-CE2 3.48Å; L47-F172 HydrophobicContact CD2-CG 3.98Å; L47-F172 HydrophobicContact CD2-CZ 3.88Å; L47-F172 HydrophobicContact CG-CE2 4.02Å; L47-F172 HydrophobicContact CG-CZ 4.25Å; F122-F172 AromaticContact CE1-CE2 3.66Å; F122-F172 HydrophobicContact CE1-CE2 3.66Å; F122-F172 AromaticContact CE1-CZ 3.53Å; F122-F172 HydrophobicContact CE1-CZ 3.53Å; F122-F172 HydrophobicContact CZ-CD2 4.32Å; F122-F172 AromaticContact CZ-CE2 3.58Å; F122-F172 HydrophobicContact CZ-CE2 3.58Å; F122-F172 AromaticContact CZ-CZ 3.87Å; F122-F172 HydrophobicContact CZ-CZ 3.87Å; L126-F172 HydrophobicContact CD2-CD1 3.46Å; L126-F172 VanDerWaalsContact CD2-CD1 3.46Å; L126-F172 HydrophobicContact CD2-CE1 3.7Å; L126-F172 HydrophobicContact CD2-CG 4.05Å; L126-F172 HydrophobicContact CD2-CZ 4.42Å; L166-F172 HydrophobicContact CD2-CE2 4.06Å; P167-F172 HydrophobicContact CG-CB 4.3Å; P167-F172 HydrophobicContact CG-CD2 4.06Å; V168-F172 PolarHBondContact O-N 3.02Å; R169-F172 WeakPolarHBondContact O-CB 3.46Å; R169-F172 PolarHBondContact O-N 3.34Å; R169-F172 VanDerWaalsContact O-N 3.12Å; P170-F172 VanDerWaalsContact C-N 3.29Å; P170-F172 PolarHBondContact O-N 3.45Å; F172-V175 WeakPolarHBondContact O-CB 3.23Å; F172-V175 PolarHBondContact O-N 2.93Å; F172-M176 HydrophobicContact CD1-CE 3.68Å; F172-M176 HydrophobicContact CD1-CG 4.46Å; F172-M176 HydrophobicContact CE1-CE 3.44Å; F172-M176 VanDerWaalsContact CE1-CE 3.44Å; F172-M176 PolarHBondContact O-N 3.34Å
173F94.7Very high92.4Very high6 Ų655.8 Ų55.83%0.02631%0.31CS..Hα-helixtrans-65.2-38.5177.8-82.811.9000112.6L126 R169 P170 V175 M176 P181 V184 V185 L188L126-F173 HydrophobicContact CD1-CE1 4.45Å; L126-F173 HydrophobicContact CD2-CD1 4.1Å; L126-F173 HydrophobicContact CD2-CE1 3.72Å; L126-F173 HydrophobicContact CG-CD1 4.39Å; L126-F173 HydrophobicContact CG-CE1 3.67Å; R169-F173 HydrophobicContact CG-CD1 4.29Å; R169-F173 HydrophobicContact CG-CE1 4.18Å; R169-F173 HydrophobicContact CG-CZ 4.3Å; R169-F173 VanDerWaalsContact CZ-CZ 3.4Å; R169-F173 VanDerWaalsContact NH2-CE2 3.3Å; R169-F173 VanDerWaalsContact NH2-CZ 3.31Å; R169-F173 PolarHBondContact O-N 3.15Å; P170-F173 WeakPolarHBondContact O-CB 3.31Å; P170-F173 PolarHBondContact O-N 2.59Å; P170-F173 VanDerWaalsContact O-N 3.11Å; F173-V175 VanDerWaalsContact C-N 3.3Å; F173-V175 PolarHBondContact O-N 3.27Å; F173-M176 HydrophobicContact CD1-SD 4.3Å; F173-M176 WeakPolarHBondContact O-CB 3.16Å; F173-M176 PolarHBondContact O-N 3.06Å; F173-P181 HydrophobicContact CD2-CB 3.77Å; F173-P181 HydrophobicContact CD2-CG 4.42Å; F173-P181 HydrophobicContact CE2-CB 4.08Å; F173-V184 HydrophobicContact CB-CG1 4.34Å; F173-V184 HydrophobicContact CB-CG2 4.08Å; F173-V184 HydrophobicContact CD1-CB 4.45Å; F173-V184 HydrophobicContact CD1-CG1 3.6Å; F173-V184 HydrophobicContact CD2-CB 4Å; F173-V184 HydrophobicContact CD2-CG1 4.01Å; F173-V184 HydrophobicContact CD2-CG2 4.31Å; F173-V184 HydrophobicContact CE1-CG1 3.66Å; F173-V184 HydrophobicContact CE2-CB 4.19Å; F173-V184 HydrophobicContact CE2-CG1 4.09Å; F173-V184 HydrophobicContact CG-CB 4.12Å; F173-V184 HydrophobicContact CG-CG1 3.74Å; F173-V184 HydrophobicContact CG-CG2 4.21Å; F173-V184 HydrophobicContact CZ-CB 4.48Å; F173-V184 HydrophobicContact CZ-CG1 3.93Å; F173-V185 HydrophobicContact CE2-CG2 3.91Å; F173-V185 HydrophobicContact CZ-CG2 3.94Å; F173-L188 HydrophobicContact CE1-CD1 4.15Å; F173-L188 HydrophobicContact CZ-CD1 4.46Å
174E92.8Very high92.8Very high149 Ų14955.6 Ų55.670%0.69631%0.309SS*.Hα-helixtrans-58.6-42.3173-71.6176-179.200111.9P170 A171 M176 N177P170-E174 WeakPolarHBondContact O-CG 3.42Å; P170-E174 PolarHBondContact O-N 2.96Å; A171-E174 PolarHBondContact O-N 3.48Å; E174-M176 PolarHBondContact O-N 3.45Å; E174-N177 PolarHBondContact O-N 3.1Å; E174-N177 VanDerWaalsContact O-N 3.11Å
175V91.4Very high93.3Very high39 Ų3949.5 Ų49.524%0.23629%0.289CS..Hα-helixtrans-60.1-32.2176.3171.90000111.5F9 L43 S46 L47 A171 F172 F173 N177F9-V175 WeakPolarHBondContact CD1-O 3.32Å; L43-V175 HydrophobicContact CD1-CG1 3.81Å; S46-V175 VanDerWaalsContact CB-CG1 3.41Å; L47-V175 HydrophobicContact CD2-CB 4.49Å; L47-V175 HydrophobicContact CD2-CG1 4.35Å; L47-V175 HydrophobicContact CD2-CG2 4.42Å; A171-V175 WeakPolarHBondContact O-CG2 2.87Å; A171-V175 PolarHBondContact O-N 3.18Å; F172-V175 WeakPolarHBondContact O-CB 3.23Å; F172-V175 PolarHBondContact O-N 2.93Å; F173-V175 VanDerWaalsContact C-N 3.3Å; F173-V175 PolarHBondContact O-N 3.27Å; V175-N177 PolarHBondContact O-N 3.07Å
176M92.8Very high93.8Very high0 Ų052.1 Ų52.10%030%0.299CS..Hα-helixtrans-66.9-19179.7-65.3-174.8170.700114L11 L43 L123 L126 F172 F173 E174 V178 V184 L188L11-M176 HydrophobicContact CB-CB 4.13Å; L11-M176 HydrophobicContact CD2-CB 4.46Å; L11-M176 HydrophobicContact CD2-CG 4.41Å; L11-M176 HydrophobicContact CD2-SD 3.7Å; L11-M176 PolarHBondContact N-O 3.12Å; L43-M176 HydrophobicContact CD1-CG 4.34Å; L123-M176 HydrophobicContact CD2-CE 3.85Å; L126-M176 HydrophobicContact CD2-CE 3.46Å; L126-M176 VanDerWaalsContact CD2-CE 3.46Å; F172-M176 HydrophobicContact CD1-CE 3.68Å; F172-M176 HydrophobicContact CD1-CG 4.46Å; F172-M176 HydrophobicContact CE1-CE 3.44Å; F172-M176 VanDerWaalsContact CE1-CE 3.44Å; F172-M176 PolarHBondContact O-N 3.34Å; F173-M176 HydrophobicContact CD1-SD 4.3Å; F173-M176 WeakPolarHBondContact O-CB 3.16Å; F173-M176 PolarHBondContact O-N 3.06Å; E174-M176 PolarHBondContact O-N 3.45Å; M176-V178 VanDerWaalsContact C-N 3.33Å; M176-V178 HydrophobicContact CB-CG2 4.42Å; M176-V178 PolarHBondContact O-N 3.47Å; M176-V184 HydrophobicContact CB-CG1 4.36Å; M176-V184 HydrophobicContact CG-CG1 4.44Å; M176-V184 HydrophobicContact SD-CG1 3.28Å; M176-V184 WeakPolarHBondContact SD-CG1 3.39Å; M176-L188 HydrophobicContact CE-CD1 4.12Å; M176-L188 HydrophobicContact CE-CD2 4.02Å; M176-L188 HydrophobicContact SD-CD1 4.12Å; M176-L188 HydrophobicContact SD-CD2 4.33Å; M176-L188 HydrophobicContact SD-CG 4.36Å
177N92.9Very high94.2Very high85 Ų8552 Ų5246%0.45530%0.299SS..  trans53.943.5168.8-16937000114.1F9 E174 V175F9-N177 WeakPolarHBondContact O-CB 3.24Å; F9-N177 PolarHBondContact O-ND2 2.69Å; F9-N177 VanDerWaalsContact O-ND2 3.09Å; E174-N177 PolarHBondContact O-N 3.1Å; E174-N177 VanDerWaalsContact O-N 3.11Å; V175-N177 PolarHBondContact O-N 3.07Å
178V92.8Very high94.5Very high28 Ų2850.4 Ų50.417%0.1729%0.288CS..SBendtrans-118.27.5176.5-65.70000113.2L11 Q12 M176 V184 V187L11-V178 HydrophobicContact CB-CG1 3.9Å; Q12-V178 HydrophobicContact CB-CG1 4.28Å; M176-V178 VanDerWaalsContact C-N 3.33Å; M176-V178 HydrophobicContact CB-CG2 4.42Å; M176-V178 PolarHBondContact O-N 3.47Å; V178-V184 HydrophobicContact CG2-CB 3.91Å; V178-V184 HydrophobicContact CG2-CG1 4.39Å; V178-V184 HydrophobicContact CG2-CG2 3.35Å; V178-V187 HydrophobicContact CB-CG2 4.36Å; V178-V187 HydrophobicContact CG1-CG2 4.41Å; V178-V187 HydrophobicContact CG2-CG2 4.45Å
179G93.4Very high94.7Very high54 Ų5447 Ų4756%0.55727%0.274SS*.SBendtrans106.7-134.9176.800000113.1Q183G179-Q183 VanDerWaalsContact CA-OE1 3.31Å
180T96.1Very high94.8Very high64 Ų6452.1 Ų52.139%0.39330%0.297SS..SBendtrans-68.7160.6-174.978.40000112.1E182 Q183 V184T180-E182 VanDerWaalsContact CB-OE2 3.24Å; T180-E182 WeakPolarHBondContact CB-OE2 3.44Å; T180-E182 PolarHBondContact O-N 2.82Å; T180-E182 VanDerWaalsContact O-N 3.16Å; T180-E182 PolarHBondContact OG1-OE2 3.27Å; T180-Q183 WeakPolarHBondContact O-CB 3.35Å; T180-Q183 PolarHBondContact O-N 3.35Å; T180-Q183 PolarHBondContact OG1-N 2.92Å; T180-V184 WeakPolarHBondContact O-CG2 3.32Å; T180-V184 PolarHBondContact O-N 2.85Å
181P95.4Very high94.8Very high62 Ų6250.4 Ų50.440%0.40329%0.286SS..Hα-helixtrans-51.5-36.5174.9-30.738.8000114.4F173 V184 V185F173-P181 HydrophobicContact CD2-CB 3.77Å; F173-P181 HydrophobicContact CD2-CG 4.42Å; F173-P181 HydrophobicContact CE2-CB 4.08Å; P181-V184 WeakPolarHBondContact O-CB 3.26Å; P181-V184 PolarHBondContact O-N 3.24Å; P181-V185 VanDerWaalsContact O-CG2 3.26Å; P181-V185 WeakPolarHBondContact O-CG2 3.26Å; P181-V185 PolarHBondContact O-N 2.8Å
182E96.4Very high95Very high122 Ų12249.2 Ų49.257%0.5728%0.276SS*.Hα-helixtrans-66.8-43.1177.8-58.569.6-147.800110.9T180 V184 V185 D186T180-E182 VanDerWaalsContact CB-OE2 3.24Å; T180-E182 WeakPolarHBondContact CB-OE2 3.44Å; T180-E182 PolarHBondContact O-N 2.82Å; T180-E182 VanDerWaalsContact O-N 3.16Å; T180-E182 PolarHBondContact OG1-OE2 3.27Å; E182-V184 VanDerWaalsContact C-N 3.31Å; E182-V184 PolarHBondContact O-N 3.46Å; E182-V185 PolarHBondContact O-N 3.45Å; E182-D186 PolarHBondContact O-N 3.16Å
183Q96.9Very high95.2Very high95 Ų9552.8 Ų52.844%0.44430%0.299SS..Hα-helixtrans-64.1-38.4175.7-65.1176.5-5300111.4G179 T180 D186 V187G179-Q183 VanDerWaalsContact CA-OE1 3.31Å; T180-Q183 WeakPolarHBondContact O-CB 3.35Å; T180-Q183 PolarHBondContact O-N 3.35Å; T180-Q183 PolarHBondContact OG1-N 2.92Å; Q183-D186 PolarHBondContact O-N 2.76Å; Q183-V187 WeakPolarHBondContact O-CG2 3.49Å; Q183-V187 PolarHBondContact O-N 2.86Å
184V96.4Very high95.2Very high0 Ų053.6 Ų53.60%030%0.303CS..Hα-helixtrans-59.9-48.5172.8178.10000111F173 M176 V178 T180 P181 E182 D186 V187 L188F173-V184 HydrophobicContact CB-CG1 4.34Å; F173-V184 HydrophobicContact CB-CG2 4.08Å; F173-V184 HydrophobicContact CD1-CB 4.45Å; F173-V184 HydrophobicContact CD1-CG1 3.6Å; F173-V184 HydrophobicContact CD2-CB 4Å; F173-V184 HydrophobicContact CD2-CG1 4.01Å; F173-V184 HydrophobicContact CD2-CG2 4.31Å; F173-V184 HydrophobicContact CE1-CG1 3.66Å; F173-V184 HydrophobicContact CE2-CB 4.19Å; F173-V184 HydrophobicContact CE2-CG1 4.09Å; F173-V184 HydrophobicContact CG-CB 4.12Å; F173-V184 HydrophobicContact CG-CG1 3.74Å; F173-V184 HydrophobicContact CG-CG2 4.21Å; F173-V184 HydrophobicContact CZ-CB 4.48Å; F173-V184 HydrophobicContact CZ-CG1 3.93Å; M176-V184 HydrophobicContact CB-CG1 4.36Å; M176-V184 HydrophobicContact CG-CG1 4.44Å; M176-V184 HydrophobicContact SD-CG1 3.28Å; M176-V184 WeakPolarHBondContact SD-CG1 3.39Å; V178-V184 HydrophobicContact CG2-CB 3.91Å; V178-V184 HydrophobicContact CG2-CG1 4.39Å; V178-V184 HydrophobicContact CG2-CG2 3.35Å; T180-V184 WeakPolarHBondContact O-CG2 3.32Å; T180-V184 PolarHBondContact O-N 2.85Å; P181-V184 WeakPolarHBondContact O-CB 3.26Å; P181-V184 PolarHBondContact O-N 3.24Å; E182-V184 VanDerWaalsContact C-N 3.31Å; E182-V184 PolarHBondContact O-N 3.46Å; V184-D186 VanDerWaalsContact C-N 3.32Å; V184-D186 PolarHBondContact O-N 2.83Å; V184-V187 PolarHBondContact O-N 3.27Å; V184-L188 HydrophobicContact CG1-CD1 3.93Å; V184-L188 HydrophobicContact CG1-CG 4.38Å; V184-L188 WeakPolarHBondContact O-CB 3.44Å; V184-L188 WeakPolarHBondContact O-CG 3.33Å; V184-L188 PolarHBondContact O-N 2.85Å
185V97.4Very high95.3Very high38 Ų3846.7 Ų46.723%0.2327%0.271CS..Hα-helixtrans-60.4-41.2178.2169.40000111.4R127 F173 P181 E182 L188 G189R127-V185 HydrophobicContact CG-CG1 4.03Å; F173-V185 HydrophobicContact CE2-CG2 3.91Å; F173-V185 HydrophobicContact CZ-CG2 3.94Å; P181-V185 VanDerWaalsContact O-CG2 3.26Å; P181-V185 WeakPolarHBondContact O-CG2 3.26Å; P181-V185 PolarHBondContact O-N 2.8Å; E182-V185 PolarHBondContact O-N 3.45Å; V185-L188 PolarHBondContact O-N 3.42Å; V185-G189 PolarHBondContact O-N 2.68Å
186D97.1Very high95.5Very high101 Ų10147 Ų4754%0.5427%0.274SS..Hα-helixtrans-64.7-43.5177.3-77.3-13.7000112.5E182 Q183 V184 G189 K190E182-D186 PolarHBondContact O-N 3.16Å; Q183-D186 PolarHBondContact O-N 2.76Å; V184-D186 VanDerWaalsContact C-N 3.32Å; V184-D186 PolarHBondContact O-N 2.83Å; D186-G189 PolarHBondContact O-N 3.12Å; D186-K190 PolarHBondContact O-N 3.37Å
187V96.5Very high95.7Very high13 Ų1350.9 Ų50.98%0.07929%0.293CS..Hα-helixtrans-65.4-44176.3173.90000110.3L11 L15 V178 Q183 V184 G189 K190 A191L11-V187 HydrophobicContact CB-CG1 4.41Å; L11-V187 HydrophobicContact CD2-CB 4.32Å; L11-V187 HydrophobicContact CD2-CG1 3.69Å; L11-V187 HydrophobicContact CG-CG1 3.79Å; L15-V187 HydrophobicContact CD2-CG1 4.2Å; V178-V187 HydrophobicContact CB-CG2 4.36Å; V178-V187 HydrophobicContact CG1-CG2 4.41Å; V178-V187 HydrophobicContact CG2-CG2 4.45Å; Q183-V187 WeakPolarHBondContact O-CG2 3.49Å; Q183-V187 PolarHBondContact O-N 2.86Å; V184-V187 PolarHBondContact O-N 3.27Å; V187-G189 VanDerWaalsContact C-N 3.28Å; V187-G189 PolarHBondContact O-N 3.19Å; V187-K190 PolarHBondContact O-N 2.96Å; V187-K190 VanDerWaalsContact O-N 3.11Å; V187-A191 WeakPolarHBondContact O-CB 3.5Å; V187-A191 PolarHBondContact O-N 3.02Å
188L96.5Very high96Very high0 Ų046.9 Ų46.90%027%0.271CS..Hα-helixtrans-60.6-38.2174-72.4172000111.9L11 L123 R127 F173 M176 V184 V185 K190 A191 V192L11-L188 HydrophobicContact CD2-CD2 3.63Å; L11-L188 HydrophobicContact CD2-CG 3.89Å; L123-L188 HydrophobicContact CB-CD2 4.18Å; L123-L188 HydrophobicContact CD2-CD2 3.96Å; L123-L188 HydrophobicContact CG-CD2 4.46Å; R127-L188 HydrophobicContact CB-CB 3.97Å; R127-L188 HydrophobicContact CB-CD1 4.05Å; R127-L188 HydrophobicContact CG-CB 3.77Å; R127-L188 HydrophobicContact CG-CD1 4.49Å; F173-L188 HydrophobicContact CE1-CD1 4.15Å; F173-L188 HydrophobicContact CZ-CD1 4.46Å; M176-L188 HydrophobicContact CE-CD1 4.12Å; M176-L188 HydrophobicContact CE-CD2 4.02Å; M176-L188 HydrophobicContact SD-CD1 4.12Å; M176-L188 HydrophobicContact SD-CD2 4.33Å; M176-L188 HydrophobicContact SD-CG 4.36Å; V184-L188 HydrophobicContact CG1-CD1 3.93Å; V184-L188 HydrophobicContact CG1-CG 4.38Å; V184-L188 WeakPolarHBondContact O-CB 3.44Å; V184-L188 WeakPolarHBondContact O-CG 3.33Å; V184-L188 PolarHBondContact O-N 2.85Å; V185-L188 PolarHBondContact O-N 3.42Å; L188-K190 PolarHBondContact O-N 3.28Å; L188-A191 PolarHBondContact O-N 3.5Å; L188-V192 WeakPolarHBondContact O-CB 3.5Å; L188-V192 WeakPolarHBondContact O-CG2 3.44Å; L188-V192 PolarHBondContact O-N 2.76Å
189G97.1Very high96.2Very high30 Ų3047 Ų4731%0.30927%0.269SS..Hα-helixtrans-63.3-21.6176.500000113.9R127 V185 D186 V187 P193R127-G189 VanDerWaalsContact CD-N 3.35Å; V185-G189 PolarHBondContact O-N 2.68Å; D186-G189 PolarHBondContact O-N 3.12Å; V187-G189 VanDerWaalsContact C-N 3.28Å; V187-G189 PolarHBondContact O-N 3.19Å; G189-P193 VanDerWaalsContact O-CD 3.22Å; G189-P193 WeakPolarHBondContact O-CD 3.47Å; G189-P193 VanDerWaalsContact O-CG 3.27Å; G189-P193 WeakPolarHBondContact O-CG 3.42Å
190K96.6Very high96.4Very high133 Ų13349 Ų4958%0.57826%0.263SS*.Hα-helixtrans-94.4-38.3172.9-64.5168.1-172.4169.30112.1L15 D186 V187 L188L15-K190 HydrophobicContact CD1-CB 4.41Å; L15-K190 HydrophobicContact CD2-CB 3.99Å; D186-K190 PolarHBondContact O-N 3.37Å; V187-K190 PolarHBondContact O-N 2.96Å; V187-K190 VanDerWaalsContact O-N 3.11Å; L188-K190 PolarHBondContact O-N 3.28Å
191A94.3Very high96.5Very high6 Ų646.8 Ų46.85%0.0525%0.249CC..Hα-helixtrans-71.6-46.8-17700000112.8L15 V187 L188 L194 L195L15-A191 HydrophobicContact CB-CB 4.45Å; L15-A191 HydrophobicContact CD1-CB 4.07Å; V187-A191 WeakPolarHBondContact O-CB 3.5Å; V187-A191 PolarHBondContact O-N 3.02Å; L188-A191 PolarHBondContact O-N 3.5Å; A191-L194 PolarHBondContact O-N 3.11Å; A191-L195 VanDerWaalsContact O-CG 3.31Å; A191-L195 WeakPolarHBondContact O-CG 3.41Å; A191-L195 PolarHBondContact O-N 3.44Å
192V95.4Very high96.7Very high8 Ų843.9 Ų43.95%0.04823%0.23CC..Hα-helixtrans-59.1-48.3-176.3172.20000112.2L123 E124 L188 L194 L195 C196L123-V192 HydrophobicContact CB-CG2 3.88Å; E124-V192 HydrophobicContact CB-CG1 4Å; E124-V192 HydrophobicContact CG-CG1 4.46Å; L188-V192 WeakPolarHBondContact O-CB 3.5Å; L188-V192 WeakPolarHBondContact O-CG2 3.44Å; L188-V192 PolarHBondContact O-N 2.76Å; V192-L194 VanDerWaalsContact C-N 3.31Å; V192-L194 PolarHBondContact O-N 2.91Å; V192-L195 PolarHBondContact O-N 3.42Å; V192-C196 PolarHBondContact O-N 3.04Å; V192-C196 PolarHBondContact O-SG 3.43Å
193P95.9Very high96.8Very high75 Ų7540 Ų4049%0.48721%0.212SC..Hα-helixtrans-58.5-40.9177.5-27.236.6000113.5G189 C196 E197G189-P193 VanDerWaalsContact O-CD 3.22Å; G189-P193 WeakPolarHBondContact O-CD 3.47Å; G189-P193 VanDerWaalsContact O-CG 3.27Å; G189-P193 WeakPolarHBondContact O-CG 3.42Å; P193-C196 WeakPolarHBondContact O-CB 3.46Å; P193-C196 PolarHBondContact O-N 2.92Å; P193-E197 PolarHBondContact O-N 3.02Å
194L95.4Very high96.8Very high23 Ų2340.4 Ų40.412%0.1221%0.214CC..Hα-helixtrans-65.7-43.3177.9179.264.9000112.1L15 F18 K19 L22 A191 V192 C196 E197 V198L15-L194 HydrophobicContact CD1-CD2 3.87Å; F18-L194 HydrophobicContact CB-CD2 3.75Å; F18-L194 HydrophobicContact CB-CG 4.19Å; K19-L194 HydrophobicContact CB-CD2 4.22Å; K19-L194 HydrophobicContact CG-CD2 3.51Å; L22-L194 HydrophobicContact CD2-CD1 4.23Å; A191-L194 PolarHBondContact O-N 3.11Å; V192-L194 VanDerWaalsContact C-N 3.31Å; V192-L194 PolarHBondContact O-N 2.91Å; L194-C196 VanDerWaalsContact C-N 3.28Å; L194-C196 PolarHBondContact O-N 3.27Å; L194-E197 PolarHBondContact O-N 2.88Å; L194-V198 WeakPolarHBondContact O-CG2 3.46Å; L194-V198 PolarHBondContact O-N 2.94Å
195L95.1Very high96.9Very high4 Ų441.7 Ų41.72%0.02122%0.221CC..Hα-helixtrans-59.2-43.7173.5-65.9177.7000110.6F18 L116 Q120 L123 A191 V192 E197 V198 Y199F18-L195 HydrophobicContact CB-CD2 4.31Å; F18-L195 HydrophobicContact CD1-CD2 3.59Å; F18-L195 HydrophobicContact CD2-CD2 3.44Å; F18-L195 VanDerWaalsContact CD2-CD2 3.44Å; F18-L195 HydrophobicContact CE1-CD2 3.62Å; F18-L195 HydrophobicContact CE2-CD2 3.47Å; F18-L195 VanDerWaalsContact CE2-CD2 3.47Å; F18-L195 HydrophobicContact CG-CD2 3.5Å; F18-L195 VanDerWaalsContact CG-CD2 3.5Å; F18-L195 HydrophobicContact CZ-CD2 3.56Å; L116-L195 HydrophobicContact CD1-CD2 4.17Å; Q120-L195 HydrophobicContact CG-CB 3.77Å; Q120-L195 PolarHBondContact NE2-O 3.23Å; L123-L195 HydrophobicContact CD1-CD1 4.08Å; A191-L195 VanDerWaalsContact O-CG 3.31Å; A191-L195 WeakPolarHBondContact O-CG 3.41Å; A191-L195 PolarHBondContact O-N 3.44Å; V192-L195 PolarHBondContact O-N 3.42Å; L195-E197 VanDerWaalsContact C-N 3.33Å; L195-E197 PolarHBondContact O-N 2.88Å; L195-V198 PolarHBondContact O-N 3.38Å; L195-Y199 WeakPolarHBondContact O-CB 3.37Å; L195-Y199 PolarHBondContact O-N 3.39Å
196C95.9Very high97Very high46 Ų4639.9 Ų39.931%0.31121%0.21SC..Hα-helixtrans-61-40.2177.2-71.90000112V192 P193 L194 Y199 Q200V192-C196 PolarHBondContact O-N 3.04Å; V192-C196 PolarHBondContact O-SG 3.43Å; P193-C196 WeakPolarHBondContact O-CB 3.46Å; P193-C196 PolarHBondContact O-N 2.92Å; L194-C196 VanDerWaalsContact C-N 3.28Å; L194-C196 PolarHBondContact O-N 3.27Å; C196-Y199 PolarHBondContact O-N 3.49Å; C196-Q200 WeakPolarHBondContact O-CB 3.48Å; C196-Q200 PolarHBondContact O-N 3.27Å
197E96.9Very high97Very high82 Ų8240.9 Ų40.938%0.38321%0.211SC..Hα-helixtrans-64.4-49176.2-176.9169.5-159.900112L22 P193 L194 L195 Y199 Q200 I201L22-E197 VanDerWaalsContact CD2-CD 3.49Å; L22-E197 HydrophobicContact CD2-CG 3.83Å; P193-E197 PolarHBondContact O-N 3.02Å; L194-E197 PolarHBondContact O-N 2.88Å; L195-E197 VanDerWaalsContact C-N 3.33Å; L195-E197 PolarHBondContact O-N 2.88Å; E197-Y199 VanDerWaalsContact C-N 3.27Å; E197-Y199 PolarHBondContact O-N 3.18Å; E197-Q200 PolarHBondContact O-N 3.03Å; E197-Q200 VanDerWaalsContact O-N 3.14Å; E197-I201 HydrophobicContact CG-CD1 3.93Å; E197-I201 WeakPolarHBondContact O-CG1 3.07Å; E197-I201 PolarHBondContact O-N 2.98Å
198V97.3Very high97.1Very high0 Ų047.8 Ų47.80%024%0.24CC..Hα-helixtrans-58.3-41.2176.11720000111.2F18 I28 Y33 L116 L194 L195 T202F18-V198 HydrophobicContact CD1-CG2 4.47Å; I28-V198 HydrophobicContact CD1-CG1 4Å; I28-V198 WeakPolarHBondContact CD1-O 3.49Å; I28-V198 HydrophobicContact CG1-CG1 4.46Å; I28-V198 HydrophobicContact CG2-CG1 4.33Å; Y33-V198 HydrophobicContact CD2-CG1 3.91Å; Y33-V198 HydrophobicContact CE2-CG1 3.85Å; L116-V198 HydrophobicContact CD2-CG1 4.49Å; L194-V198 WeakPolarHBondContact O-CG2 3.46Å; L194-V198 PolarHBondContact O-N 2.94Å; L195-V198 PolarHBondContact O-N 3.38Å; V198-T202 WeakPolarHBondContact O-CB 3.39Å; V198-T202 PolarHBondContact O-N 2.89Å; V198-T202 VanDerWaalsContact O-N 3.14Å; V198-T202 PolarHBondContact O-OG1 2.91Å
199Y97.8Very high97.1Very high32 Ų3251 Ų5113%0.12526%0.255CS..Hα-helixtrans-63.7-48.7174.5175.4-83.9000111.7H113 R117 L195 C196 E197 I201 T202 E203H113-Y199 AromaticContact CE1-CD2 3.07Å; H113-Y199 WeakPolarHBondContact CE1-CD2 3.42Å; H113-Y199 AromaticContact CE1-CE2 3.11Å; H113-Y199 WeakPolarHBondContact CE1-CE2 3.29Å; H113-Y199 AromaticContact CE1-CG 3.6Å; H113-Y199 AromaticContact CE1-CZ 3.71Å; H113-Y199 PolarHBondContact CE1-O 2.84Å; H113-Y199 VanDerWaalsContact CE1-O 3.27Å; H113-Y199 AromaticContact ND1-CD2 3.44Å; H113-Y199 WeakPolarHBondContact ND1-CD2 3.5Å; H113-Y199 AromaticContact ND1-CE2 3.7Å; H113-Y199 AromaticContact NE2-CD2 3.79Å; H113-Y199 AromaticContact NE2-CE2 3.31Å; H113-Y199 VanDerWaalsContact NE2-CE2 3.31Å; H113-Y199 WeakPolarHBondContact NE2-CE2 3.3Å; H113-Y199 AromaticContact NE2-CZ 3.66Å; R117-Y199 HydrophobicContact CB-CD2 4.17Å; R117-Y199 HydrophobicContact CB-CE2 3.55Å; R117-Y199 HydrophobicContact CG-CE2 4.18Å; L195-Y199 WeakPolarHBondContact O-CB 3.37Å; L195-Y199 PolarHBondContact O-N 3.39Å; C196-Y199 PolarHBondContact O-N 3.49Å; E197-Y199 VanDerWaalsContact C-N 3.27Å; E197-Y199 PolarHBondContact O-N 3.18Å; Y199-I201 VanDerWaalsContact C-N 3.32Å; Y199-I201 PolarHBondContact O-N 3.48Å; Y199-T202 CarbonylContact O-C 3.6Å; Y199-T202 PolarHBondContact O-N 3.05Å; Y199-T202 VanDerWaalsContact O-N 3.12Å; Y199-E203 HydrophobicContact CD1-CB 4.42Å; Y199-E203 HydrophobicContact CE1-CB 4.08Å; Y199-E203 HydrophobicContact CE1-CG 4.24Å; Y199-E203 WeakPolarHBondContact O-CB 3.42Å; Y199-E203 PolarHBondContact O-N 3.1Å; Y199-E203 PolarHBondContact OH-OE2 2.8Å
200Q98.3Very high97Very high94 Ų9456 Ų5644%0.43927%0.274SS..Hα-helixtrans-60.8-43.2-177.3-174.261.127.800111.7C196 E197 T202 E203 E204C196-Q200 WeakPolarHBondContact O-CB 3.48Å; C196-Q200 PolarHBondContact O-N 3.27Å; E197-Q200 PolarHBondContact O-N 3.03Å; E197-Q200 VanDerWaalsContact O-N 3.14Å; Q200-T202 VanDerWaalsContact C-N 3.33Å; Q200-T202 PolarHBondContact O-N 3.32Å; Q200-E203 PolarHBondContact O-N 3.45Å; Q200-E204 HydrophobicContact CG-CG 4.49Å; Q200-E204 WeakPolarHBondContact CG-OE1 3.24Å; Q200-E204 PolarHBondContact NE2-OE1 2.72Å; Q200-E204 WeakPolarHBondContact O-CB 3.17Å; Q200-E204 VanDerWaalsContact O-CG 3.3Å; Q200-E204 WeakPolarHBondContact O-CG 3.2Å; Q200-E204 PolarHBondContact O-N 3.09Å
201I98.4Very high97Very high19 Ų1949.6 Ų49.610%0.09725%0.247CC..Hα-helixtrans-60.6-43.9175.9-67.9162.8000110.9L22 K26 I28 E197 Y199 L205L22-I201 HydrophobicContact CD1-CD1 3.44Å; L22-I201 VanDerWaalsContact CD1-CD1 3.44Å; L22-I201 HydrophobicContact CD2-CD1 4.39Å; K26-I201 HydrophobicContact CB-CD1 3.84Å; K26-I201 HydrophobicContact CB-CG1 4.37Å; K26-I201 HydrophobicContact CD-CD1 4.29Å; K26-I201 HydrophobicContact CD-CG1 4.47Å; K26-I201 HydrophobicContact CG-CD1 4.15Å; K26-I201 WeakPolarHBondContact O-CG2 3.21Å; I28-I201 HydrophobicContact CD1-CB 4.01Å; I28-I201 HydrophobicContact CD1-CG2 3.69Å; I28-I201 HydrophobicContact CG1-CG2 4.13Å; E197-I201 HydrophobicContact CG-CD1 3.93Å; E197-I201 WeakPolarHBondContact O-CG1 3.07Å; E197-I201 PolarHBondContact O-N 2.98Å; Y199-I201 VanDerWaalsContact C-N 3.32Å; Y199-I201 PolarHBondContact O-N 3.48Å; I201-L205 WeakPolarHBondContact O-CB 3.33Å; I201-L205 PolarHBondContact O-N 2.57Å; I201-L205 VanDerWaalsContact O-N 3.09Å
202T98.4Very high97.1Very high0 Ų051.2 Ų51.20%025%0.254CS..Hα-helixtrans-67.1-44.2178.1-54.70000111.4I28 L109 H113 V198 Y199 Q200 L205 Y206I28-T202 WeakPolarHBondContact CD1-OG1 3.28Å; L109-T202 HydrophobicContact CD2-CG2 4.37Å; H113-T202 HydrophobicContact CB-CG2 4.33Å; V198-T202 WeakPolarHBondContact O-CB 3.39Å; V198-T202 PolarHBondContact O-N 2.89Å; V198-T202 VanDerWaalsContact O-N 3.14Å; V198-T202 PolarHBondContact O-OG1 2.91Å; Y199-T202 CarbonylContact O-C 3.6Å; Y199-T202 PolarHBondContact O-N 3.05Å; Y199-T202 VanDerWaalsContact O-N 3.12Å; Q200-T202 VanDerWaalsContact C-N 3.33Å; Q200-T202 PolarHBondContact O-N 3.32Å; T202-L205 PolarHBondContact O-N 3.38Å; T202-Y206 HydrophobicContact CG2-CD2 3.79Å; T202-Y206 HydrophobicContact CG2-CE2 3.81Å; T202-Y206 WeakPolarHBondContact O-CB 3.28Å; T202-Y206 WeakPolarHBondContact O-CD2 3.45Å; T202-Y206 PolarHBondContact O-N 2.69Å
203E98.4Very high96.9Very high42 Ų4257.8 Ų57.820%0.19629%0.289CS..Hα-helixtrans-59.2-49.7178.5-173.775.4-158.300110.7H113 Y199 Q200 L205 Y206 Q207 L212H113-E203 IonicContact CD2-OE2 2.76Å; H113-E203 IonicContact CE1-OE2 3.86Å; H113-E203 IonicContact NE2-OE2 2.66Å; H113-E203 PolarHBondContact NE2-OE2 3.3Å; Y199-E203 HydrophobicContact CD1-CB 4.42Å; Y199-E203 HydrophobicContact CE1-CB 4.08Å; Y199-E203 HydrophobicContact CE1-CG 4.24Å; Y199-E203 WeakPolarHBondContact O-CB 3.42Å; Y199-E203 PolarHBondContact O-N 3.1Å; Y199-E203 PolarHBondContact OH-OE2 2.8Å; Q200-E203 PolarHBondContact O-N 3.45Å; E203-L205 PolarHBondContact O-N 2.82Å; E203-Y206 PolarHBondContact O-N 3.14Å; E203-Q207 VanDerWaalsContact O-CB 3.28Å; E203-Q207 WeakPolarHBondContact O-CB 3.34Å; E203-Q207 PolarHBondContact O-N 3.46Å; E203-L212 WeakPolarHBondContact OE1-CD2 3.45Å
204E98.5Very high96.7Very high103 Ų10354.5 Ų54.548%0.48127%0.267SS..Hα-helixtrans-61.4-43.1178.5-74.4173.4-17100112Q200 K208Q200-E204 HydrophobicContact CG-CG 4.49Å; Q200-E204 WeakPolarHBondContact CG-OE1 3.24Å; Q200-E204 PolarHBondContact NE2-OE1 2.72Å; Q200-E204 WeakPolarHBondContact O-CB 3.17Å; Q200-E204 VanDerWaalsContact O-CG 3.3Å; Q200-E204 WeakPolarHBondContact O-CG 3.2Å; Q200-E204 PolarHBondContact O-N 3.09Å; E204-K208 VanDerWaalsContact O-CB 3.25Å; E204-K208 WeakPolarHBondContact O-CB 3.43Å; E204-K208 PolarHBondContact O-N 3.23Å
205L98.5Very high96.1Very high27 Ų2756 Ų5614%0.14128%0.279CS..Hα-helixtrans-62-48175.9179.869.5000111.1V80 Q81 V84 I201 T202 E203 K208 H209V80-L205 HydrophobicContact CG1-CD2 3.73Å; Q81-L205 HydrophobicContact CG-CD2 4.17Å; V84-L205 HydrophobicContact CB-CD2 4.24Å; V84-L205 HydrophobicContact CG1-CG 4.5Å; V84-L205 HydrophobicContact CG2-CD2 3.86Å; V84-L205 HydrophobicContact CG2-CG 4.42Å; I201-L205 WeakPolarHBondContact O-CB 3.33Å; I201-L205 PolarHBondContact O-N 2.57Å; I201-L205 VanDerWaalsContact O-N 3.09Å; T202-L205 PolarHBondContact O-N 3.38Å; E203-L205 PolarHBondContact O-N 2.82Å; L205-K208 PolarHBondContact O-N 3.21Å; L205-H209 PolarHBondContact O-CD2 3.09Å; L205-H209 VanDerWaalsContact O-CD2 3.23Å; L205-H209 PolarHBondContact O-N 2.7Å
206Y98.4Very high96.1Very high0 Ų058.6 Ų58.60%029%0.292CS..Hα-helixtrans-66-39.9-179.5-88.8-117.1000111.8V80 V84 C106 L109 L110 T202 E203 H209 N210 L211V80-Y206 HydrophobicContact CG1-CE2 4.33Å; V84-Y206 HydrophobicContact CG2-CE2 4.11Å; C106-Y206 WeakPolarHBondContact CA-OH 3.31Å; C106-Y206 WeakPolarHBondContact O-CE1 3.41Å; C106-Y206 PolarHBondContact O-OH 3.39Å; L109-Y206 WeakPolarHBondContact CB-OH 3.34Å; L109-Y206 HydrophobicContact CD2-CE2 4.04Å; L109-Y206 WeakPolarHBondContact CD2-OH 3.32Å; L110-Y206 HydrophobicContact CB-CD1 4.47Å; L110-Y206 HydrophobicContact CB-CE1 3.82Å; L110-Y206 HydrophobicContact CD1-CD1 3.81Å; L110-Y206 HydrophobicContact CD1-CE1 4.02Å; L110-Y206 HydrophobicContact CG-CE1 4.38Å; T202-Y206 HydrophobicContact CG2-CD2 3.79Å; T202-Y206 HydrophobicContact CG2-CE2 3.81Å; T202-Y206 WeakPolarHBondContact O-CB 3.28Å; T202-Y206 WeakPolarHBondContact O-CD2 3.45Å; T202-Y206 PolarHBondContact O-N 2.69Å; E203-Y206 PolarHBondContact O-N 3.14Å; Y206-H209 CarbonylContact O-C 3.55Å; Y206-H209 PolarHBondContact O-N 3.07Å; Y206-N210 PolarHBondContact O-N 3.08Å; Y206-L211 HydrophobicContact CD1-CB 3.43Å; Y206-L211 VanDerWaalsContact CD1-CB 3.43Å; Y206-L211 HydrophobicContact CD1-CD1 4.49Å; Y206-L211 HydrophobicContact CE1-CB 3.96Å; Y206-L211 HydrophobicContact CG-CB 3.97Å; Y206-L211 PolarHBondContact O-N 3.09Å
207Q98Very high96.1Very high121 Ų12159.3 Ų59.357%0.56529%0.291SS*.Hα-helixtrans-62.1-47.7175.3-170.6176.65.200111E203 H209 N210 L212E203-Q207 VanDerWaalsContact O-CB 3.28Å; E203-Q207 WeakPolarHBondContact O-CB 3.34Å; E203-Q207 PolarHBondContact O-N 3.46Å; Q207-H209 PolarHBondContact O-N 3.08Å; Q207-H209 VanDerWaalsContact O-N 3.15Å; Q207-N210 PolarHBondContact O-N 2.91Å; Q207-N210 VanDerWaalsContact O-N 3.07Å; Q207-L212 HydrophobicContact CB-CD1 3.82Å; Q207-L212 HydrophobicContact CB-CG 4.49Å; Q207-L212 HydrophobicContact CG-CD1 4.12Å
208K97.6Very high96.1Very high159 Ų15958 Ų5869%0.69129%0.285SS*.Hα-helixtrans-55.4-33.6178.4178.1-178.5175.5-175.80112.8E204 L205E204-K208 VanDerWaalsContact O-CB 3.25Å; E204-K208 WeakPolarHBondContact O-CB 3.43Å; E204-K208 PolarHBondContact O-N 3.23Å; L205-K208 PolarHBondContact O-N 3.21Å
209H96.3Very high96Very high68 Ų6861.4 Ų61.432%0.31530%0.302SS..THydrogen-bonded Turntrans-102.49.3-178.3-68.7-74.6000114V84 L88 L205 Y206 Q207 L211V84-H209 HydrophobicContact CG1-CB 4.48Å; L88-H209 HydrophobicContact CD1-CB 3.91Å; L205-H209 PolarHBondContact O-CD2 3.09Å; L205-H209 VanDerWaalsContact O-CD2 3.23Å; L205-H209 PolarHBondContact O-N 2.7Å; Y206-H209 CarbonylContact O-C 3.55Å; Y206-H209 PolarHBondContact O-N 3.07Å; Q207-H209 PolarHBondContact O-N 3.08Å; Q207-H209 VanDerWaalsContact O-N 3.15Å; H209-L211 VanDerWaalsContact C-N 3.3Å; H209-L211 HydrophobicContact CB-CD1 3.94Å; H209-L211 HydrophobicContact CB-CG 3.82Å; H209-L211 PolarHBondContact O-N 3.22Å
210N95.6Very high95.9Very high133 Ų13363.3 Ų63.371%0.71131%0.313SS*.THydrogen-bonded Turntrans55.439.1-177.5-56.7-56.7000114Y206 Q207Y206-N210 PolarHBondContact O-N 3.08Å; Q207-N210 PolarHBondContact O-N 2.91Å; Q207-N210 VanDerWaalsContact O-N 3.07Å
211L96.3Very high95.8Very high0 Ų061.2 Ų61.20%031%0.305CS..  trans-100.2-1.7-176.5-59.2-177.1000113.9V84 L88 V93 V95 C106 L110 Y206 H209 D213 L214V84-L211 HydrophobicContact CG1-CD1 3.89Å; V84-L211 HydrophobicContact CG2-CD1 4.27Å; L88-L211 HydrophobicContact CD1-CD1 4.47Å; L88-L211 HydrophobicContact CD2-CD2 4.23Å; V93-L211 HydrophobicContact CG1-CD2 4.41Å; V95-L211 HydrophobicContact CG2-CD2 4.4Å; C106-L211 HydrophobicContact CB-CD1 4.42Å; L110-L211 VanDerWaalsContact CD2-O 3.27Å; L110-L211 WeakPolarHBondContact CD2-O 3.39Å; Y206-L211 HydrophobicContact CD1-CB 3.43Å; Y206-L211 VanDerWaalsContact CD1-CB 3.43Å; Y206-L211 HydrophobicContact CD1-CD1 4.49Å; Y206-L211 HydrophobicContact CE1-CB 3.96Å; Y206-L211 HydrophobicContact CG-CB 3.97Å; Y206-L211 PolarHBondContact O-N 3.09Å; H209-L211 VanDerWaalsContact C-N 3.3Å; H209-L211 HydrophobicContact CB-CD1 3.94Å; H209-L211 HydrophobicContact CB-CG 3.82Å; H209-L211 PolarHBondContact O-N 3.22Å; L211-D213 PolarHBondContact O-N 2.86Å; L211-L214 HydrophobicContact CB-CD1 4.16Å; L211-L214 HydrophobicContact CB-CG 4.3Å; L211-L214 HydrophobicContact CD2-CD1 4.18Å; L211-L214 HydrophobicContact CD2-CD2 4.08Å; L211-L214 HydrophobicContact CD2-CG 4.27Å; L211-L214 WeakPolarHBondContact O-CG 3.41Å; L211-L214 PolarHBondContact O-N 3.27Å
212L96.1Very high95.6Very high40 Ų4064.2 Ų64.221%0.20932%0.32CS..THydrogen-bonded Turntrans-66.8-20-176.1-70.3175000113.7R114 E203 Q207R114-L212 PolarHBondContact NH2-O 2.93Å; E203-L212 WeakPolarHBondContact OE1-CD2 3.45Å; Q207-L212 HydrophobicContact CB-CD1 3.82Å; Q207-L212 HydrophobicContact CB-CG 4.49Å; Q207-L212 HydrophobicContact CG-CD1 4.12Å
213D92.8Very high95.4Very high145 Ų14569.2 Ų69.278%0.77534%0.344SS*.THydrogen-bonded Turntrans-112.516.7-176-66.9-49000113.9L211L211-D213 PolarHBondContact O-N 2.86Å
214L91.4Very high95.1Very high6 Ų671.4 Ų71.43%0.03136%0.357CS..  trans-51129.1179-71.5175.9000111.3V93 V95 C106 R107 L110 R111 L211V93-L214 HydrophobicContact CG1-CD1 3.77Å; V93-L214 HydrophobicContact CG1-CD2 3.49Å; V93-L214 VanDerWaalsContact CG1-CD2 3.49Å; V93-L214 HydrophobicContact CG1-CG 4.29Å; V95-L214 HydrophobicContact CG2-CD2 4.25Å; C106-L214 HydrophobicContact CB-CD1 3.93Å; R107-L214 HydrophobicContact CB-CD1 4.33Å; L110-L214 HydrophobicContact CD2-CB 3.84Å; L110-L214 HydrophobicContact CD2-CG 4.48Å; R111-L214 PolarHBondContact NH1-O 3.3Å; R111-L214 PolarHBondContact NH2-O 3.19Å; L211-L214 HydrophobicContact CB-CD1 4.16Å; L211-L214 HydrophobicContact CB-CG 4.3Å; L211-L214 HydrophobicContact CD2-CD1 4.18Å; L211-L214 HydrophobicContact CD2-CD2 4.08Å; L211-L214 HydrophobicContact CD2-CG 4.27Å; L211-L214 WeakPolarHBondContact O-CG 3.41Å; L211-L214 PolarHBondContact O-N 3.27Å
215P81.8Confident94.8Very high55 Ų5568.5 Ų68.536%0.35735%0.345SS..  trans-61.10-171.128.7-37.1000111.5D94 K98 R107 R111D94-P215 WeakPolarHBondContact O-CD 3.36Å; D94-P215 WeakPolarHBondContact O-CG 3.13Å; K98-P215 HydrophobicContact CD-CB 4.25Å; K98-P215 HydrophobicContact CG-CB 3.87Å; K98-P215 HydrophobicContact CG-CG 4.18Å; R107-P215 WeakPolarHBondContact CD-O 3.35Å; R107-P215 PolarHBondContact NE-O 2.82Å; R107-P215 PolarHBondContact NH2-O 2.83Å; R107-P215 PolarHBondContact NH2-OXT 2.89Å; R111-P215 PolarHBondContact NH2-O 3.01Å; R111-P215 PolarHBondContact NH2-OXT 3.24Å

Retrieved 215 of 215 residues in 360.5 ms (Link to these results)

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