A0A3B3VMX3_9TELE Loading...

Fat storage-inducing transmembrane protein 1 homolog

May play a role in the formation of lipid droplets (LDs), which are storage organelles at the center of lipid and energy homeostasis. May directly bind to diacylglycerol (DAGs) and triacylglycerol.

AlphaFold DB , UniProt , Accession A0A3B3VMX3, Species 9TELE (Poecilia latipinna, sailfin molly), Gene FITM1, Length 284 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
1M73.1Confident88.4Confident205 Ų20593.5 Ų93.5100%1.0149%0.494SS*.  0-54.30-150.8165.3164.300111.5L3 N4 T5M1-L3 PolarHBondContact O-N 2.93Å; M1-N4 PolarHBondContact O-N 2.9Å; M1-T5 PolarHBondContact O-N 3.11Å; M1-T5 PolarHBondContact O-OG1 3.04Å
2F88.6Confident88.6Confident171 Ų17189.3 Ų89.375%0.7547%0.472SS*.Hα-helixtrans-53.5-48.1179-174-102.1000115.2N4 T5 V6F2-N4 VanDerWaalsContact C-N 3.34Å; F2-N4 PolarHBondContact O-N 2.89Å; F2-T5 WeakPolarHBondContact O-CB 3.31Å; F2-T5 PolarHBondContact O-N 3.49Å; F2-T5 VanDerWaalsContact O-N 3.13Å; F2-V6 HydrophobicContact CD1-CG2 4.07Å; F2-V6 HydrophobicContact CE1-CG2 3.71Å; F2-V6 HydrophobicContact CE2-CG2 4.28Å; F2-V6 HydrophobicContact CG-CG2 4.5Å; F2-V6 HydrophobicContact CZ-CG2 3.82Å; F2-V6 WeakPolarHBondContact O-CG2 3.09Å; F2-V6 PolarHBondContact O-N 3.37Å
3L86.9Confident88.9Confident139 Ų13991.4 Ų91.473%0.72848%0.483SS*.Hα-helixtrans-60.6-40.5-178.4-168.672.8000113M1 V6 L7M1-L3 PolarHBondContact O-N 2.93Å; L3-V6 PolarHBondContact O-N 2.85Å; L3-L7 WeakPolarHBondContact O-CB 3.17Å; L3-L7 PolarHBondContact O-N 3.16Å
4N87Confident89.1Confident101 Ų10185.9 Ų85.954%0.5446%0.457SS..Hα-helixtrans-67.1-39176.7-74.7-15.2000111.3M1 F2 L7 V8M1-N4 PolarHBondContact O-N 2.9Å; F2-N4 VanDerWaalsContact C-N 3.34Å; F2-N4 PolarHBondContact O-N 2.89Å; N4-L7 PolarHBondContact O-N 3.31Å; N4-V8 VanDerWaalsContact O-CG2 3.29Å; N4-V8 WeakPolarHBondContact O-CG2 3.47Å; N4-V8 PolarHBondContact O-N 3.34Å
5T88.9Confident89.3Confident82 Ų8280.2 Ų80.250%0.50343%0.427SS..Hα-helixtrans-62.3-46.7174.7-51.90000111.1M1 F2 L7 V8 V9M1-T5 PolarHBondContact O-N 3.11Å; M1-T5 PolarHBondContact O-OG1 3.04Å; F2-T5 WeakPolarHBondContact O-CB 3.31Å; F2-T5 PolarHBondContact O-N 3.49Å; F2-T5 VanDerWaalsContact O-N 3.13Å; T5-L7 PolarHBondContact O-N 3.37Å; T5-V8 PolarHBondContact O-N 2.94Å; T5-V9 VanDerWaalsContact O-CG2 3.31Å; T5-V9 WeakPolarHBondContact O-CG2 3.36Å; T5-V9 PolarHBondContact O-N 3.27Å
6V91.1Very high89.3Confident65 Ų6585.3 Ų85.339%0.39444%0.438SS..Hα-helixtrans-60.7-45.2176.8173.40000111F2 L3 V8 V9 L10F2-V6 HydrophobicContact CD1-CG2 4.07Å; F2-V6 HydrophobicContact CE1-CG2 3.71Å; F2-V6 HydrophobicContact CE2-CG2 4.28Å; F2-V6 HydrophobicContact CG-CG2 4.5Å; F2-V6 HydrophobicContact CZ-CG2 3.82Å; F2-V6 WeakPolarHBondContact O-CG2 3.09Å; F2-V6 PolarHBondContact O-N 3.37Å; L3-V6 PolarHBondContact O-N 2.85Å; V6-V8 PolarHBondContact O-N 3.28Å; V6-V9 PolarHBondContact O-N 3.04Å; V6-L10 WeakPolarHBondContact O-CB 3.48Å; V6-L10 PolarHBondContact O-N 2.94Å
7L91.3Very high89.4Confident25 Ų2586.7 Ų86.713%0.13145%0.446CS..Hα-helixtrans-56.9-48.3176.6176.464000111.3L3 N4 T5 T11 A196 R199 I200 L203L3-L7 WeakPolarHBondContact O-CB 3.17Å; L3-L7 PolarHBondContact O-N 3.16Å; N4-L7 PolarHBondContact O-N 3.31Å; T5-L7 PolarHBondContact O-N 3.37Å; L7-T11 HydrophobicContact CD1-CG2 3.91Å; L7-T11 HydrophobicContact CG-CG2 4.45Å; L7-T11 VanDerWaalsContact O-CB 3.3Å; L7-T11 WeakPolarHBondContact O-CB 3.32Å; L7-T11 WeakPolarHBondContact O-CG2 3.23Å; L7-T11 PolarHBondContact O-N 3.35Å; L7-T11 PolarHBondContact O-OG1 3Å; L7-A196 HydrophobicContact CD2-CB 4.49Å; L7-R199 HydrophobicContact CD1-CB 4.37Å; L7-R199 HydrophobicContact CD2-CB 4.42Å; L7-R199 HydrophobicContact CG-CB 4.33Å; L7-I200 HydrophobicContact CD1-CG1 4.07Å; L7-I200 HydrophobicContact CD2-CD1 4.48Å; L7-I200 HydrophobicContact CD2-CG1 4.01Å; L7-L203 HydrophobicContact CD1-CD1 3.54Å
8V89.8Confident89.4Confident55 Ų5582.2 Ų82.233%0.33342%0.423SS..Hα-helixtrans-63.1-46.9179.21720000111.1N4 T5 V6 L10 T11 D12N4-V8 VanDerWaalsContact O-CG2 3.29Å; N4-V8 WeakPolarHBondContact O-CG2 3.47Å; N4-V8 PolarHBondContact O-N 3.34Å; T5-V8 PolarHBondContact O-N 2.94Å; V6-V8 PolarHBondContact O-N 3.28Å; V8-L10 PolarHBondContact O-N 2.99Å; V8-T11 WeakPolarHBondContact CA-OG1 3.23Å; V8-T11 PolarHBondContact O-N 3.34Å; V8-T11 PolarHBondContact O-OG1 3.16Å; V8-D12 VanDerWaalsContact O-CB 3.29Å; V8-D12 WeakPolarHBondContact O-CB 3.25Å; V8-D12 VanDerWaalsContact O-CG 3.28Å; V8-D12 PolarHBondContact O-N 3.27Å
9V91.8Very high89.1Confident93 Ų9378.7 Ų78.756%0.56441%0.409SS*.Hα-helixtrans-62.2-46.7-179.9171.90000111.6T5 V6 D12 L13T5-V9 VanDerWaalsContact O-CG2 3.31Å; T5-V9 WeakPolarHBondContact O-CG2 3.36Å; T5-V9 PolarHBondContact O-N 3.27Å; V6-V9 PolarHBondContact O-N 3.04Å; V9-D12 PolarHBondContact O-N 2.63Å; V9-L13 WeakPolarHBondContact O-CB 3.43Å; V9-L13 PolarHBondContact O-N 3.45Å
10L92.1Very high89.1Confident92 Ų9278.3 Ų78.348%0.48241%0.407SS..Hα-helixtrans-65.2-43.6-179.3-174.964.3000111.4V6 V8 L13 A14 L203V6-L10 WeakPolarHBondContact O-CB 3.48Å; V6-L10 PolarHBondContact O-N 2.94Å; V8-L10 PolarHBondContact O-N 2.99Å; L10-L13 PolarHBondContact O-N 3.05Å; L10-A14 WeakPolarHBondContact O-CB 3.35Å; L10-A14 PolarHBondContact O-N 2.89Å; L10-L203 HydrophobicContact CD2-CD1 3.88Å; L10-L203 HydrophobicContact CD2-CD2 4.09Å; L10-L203 HydrophobicContact CG-CD1 4.39Å; L10-L203 HydrophobicContact CG-CD2 3.94Å
11T92.6Very high88.9Confident0 Ų081.6 Ų81.60%042%0.419CS..Hα-helixtrans-65.7-43.4178.551.50000111.9L7 V8 A14 A15 R199 L203L7-T11 HydrophobicContact CD1-CG2 3.91Å; L7-T11 HydrophobicContact CG-CG2 4.45Å; L7-T11 VanDerWaalsContact O-CB 3.3Å; L7-T11 WeakPolarHBondContact O-CB 3.32Å; L7-T11 WeakPolarHBondContact O-CG2 3.23Å; L7-T11 PolarHBondContact O-N 3.35Å; L7-T11 PolarHBondContact O-OG1 3Å; V8-T11 WeakPolarHBondContact CA-OG1 3.23Å; V8-T11 PolarHBondContact O-N 3.34Å; V8-T11 PolarHBondContact O-OG1 3.16Å; T11-A14 PolarHBondContact O-N 3.44Å; T11-A15 WeakPolarHBondContact O-CB 3.3Å; T11-A15 PolarHBondContact O-N 2.99Å; T11-R199 HydrophobicContact CG2-CB 3.74Å; T11-R199 HydrophobicContact CG2-CG 4.25Å; T11-R199 PolarHBondContact OG1-NH1 3.39Å; T11-L203 HydrophobicContact CG2-CD1 3.67Å; T11-L203 HydrophobicContact CG2-CD2 3.75Å; T11-L203 HydrophobicContact CG2-CG 3.45Å; T11-L203 VanDerWaalsContact CG2-CG 3.45Å
12D90.4Very high89.6Confident44 Ų4476.9 Ų76.924%0.23540%0.397CS..Hα-helixtrans-65.3-40.7178.4-77.410.3000111.6V8 V9 A15 R16 R199V8-D12 VanDerWaalsContact O-CB 3.29Å; V8-D12 WeakPolarHBondContact O-CB 3.25Å; V8-D12 VanDerWaalsContact O-CG 3.28Å; V8-D12 PolarHBondContact O-N 3.27Å; V9-D12 PolarHBondContact O-N 2.63Å; D12-A15 PolarHBondContact O-N 3.24Å; D12-R16 WeakPolarHBondContact O-CB 3.45Å; D12-R16 WeakPolarHBondContact O-CG 3.34Å; D12-R16 PolarHBondContact O-N 3.01Å; D12-R199 IonicContact OD1-CZ 2.73Å; D12-R199 IonicContact OD1-NH1 2.7Å; D12-R199 PolarHBondContact OD1-NH1 3.32Å; D12-R199 IonicContact OD1-NH2 3.67Å
13L92.5Very high89.6Confident116 Ų11670.8 Ų70.861%0.60737%0.37SS*.Hα-helixtrans-63.4-49.7176-176.567.2000111.1V9 L10 A15 R16 L17V9-L13 WeakPolarHBondContact O-CB 3.43Å; V9-L13 PolarHBondContact O-N 3.45Å; L10-L13 PolarHBondContact O-N 3.05Å; L13-A15 VanDerWaalsContact C-N 3.33Å; L13-A15 PolarHBondContact O-N 3.35Å; L13-R16 PolarHBondContact O-N 2.93Å; L13-L17 PolarHBondContact O-N 3.4Å
14A92.2Very high89.5Confident14 Ų1469.2 Ų69.212%0.11636%0.355CS..Hα-helixtrans-63-39.9178.300000111.8L10 T11 L17 L18 F202 V206L10-A14 WeakPolarHBondContact O-CB 3.35Å; L10-A14 PolarHBondContact O-N 2.89Å; T11-A14 PolarHBondContact O-N 3.44Å; A14-L17 PolarHBondContact O-N 3.04Å; A14-L18 WeakPolarHBondContact O-CB 3.19Å; A14-L18 PolarHBondContact O-N 3.27Å; A14-F202 HydrophobicContact CB-CE1 3.8Å; A14-F202 HydrophobicContact CB-CZ 4.37Å; A14-V206 HydrophobicContact CB-CG2 4.37Å
15A91.4Very high89.4Confident1 Ų169.8 Ų69.81%0.00835%0.354CS..Hα-helixtrans-67.1-35.6176.500000112.3T11 D12 L13 G19 F184 G185 L188 F202T11-A15 WeakPolarHBondContact O-CB 3.3Å; T11-A15 PolarHBondContact O-N 2.99Å; D12-A15 PolarHBondContact O-N 3.24Å; L13-A15 VanDerWaalsContact C-N 3.33Å; L13-A15 PolarHBondContact O-N 3.35Å; A15-G19 WeakPolarHBondContact O-CA 3.11Å; A15-G19 PolarHBondContact O-N 3.31Å; A15-F184 HydrophobicContact CB-CD1 3.74Å; A15-F184 HydrophobicContact CB-CE1 4.33Å; A15-G185 VanDerWaalsContact O-CA 3.29Å; A15-G185 WeakPolarHBondContact O-CA 3.22Å; A15-L188 HydrophobicContact CB-CD1 3.81Å; A15-F202 HydrophobicContact CB-CE1 4.05Å; A15-F202 HydrophobicContact CB-CZ 4Å
16R89.4Confident89.5Confident161 Ų16170.2 Ų70.261%0.60835%0.35SS*.Hα-helixtrans-66.3-40.9172.7-75.9172.4-168.8-1675.2111.8D12 L13 N20D12-R16 WeakPolarHBondContact O-CB 3.45Å; D12-R16 WeakPolarHBondContact O-CG 3.34Å; D12-R16 PolarHBondContact O-N 3.01Å; L13-R16 PolarHBondContact O-N 2.93Å; R16-N20 PolarHBondContact O-N 2.98Å
17L90.9Very high89.5Confident110 Ų11067.7 Ų67.758%0.57633%0.334SS*.Hα-helixtrans-64.9-57.1178-174.577.1000111.1L13 A14 G19 N20 F23L13-L17 PolarHBondContact O-N 3.4Å; A14-L17 PolarHBondContact O-N 3.04Å; L17-G19 VanDerWaalsContact C-N 3.34Å; L17-G19 PolarHBondContact O-N 3.41Å; L17-N20 VanDerWaalsContact O-CB 3.26Å; L17-N20 WeakPolarHBondContact O-CB 3.41Å; L17-N20 PolarHBondContact O-N 3.26Å; L17-F23 WeakPolarHBondContact O-CB 3.21Å
18L88.8Confident89.6Confident6 Ų667.6 Ų67.63%0.03133%0.333CS..Hα-helixtrans-67.3-33.8-178.9-98.656.3000112.8A14 N20 F23 T181 S182 F202 V206A14-L18 WeakPolarHBondContact O-CB 3.19Å; A14-L18 PolarHBondContact O-N 3.27Å; L18-N20 PolarHBondContact O-N 2.76Å; L18-F23 HydrophobicContact CB-CD1 4.48Å; L18-F23 HydrophobicContact CB-CE1 4.39Å; L18-F23 HydrophobicContact CD1-CE1 3.92Å; L18-F23 HydrophobicContact CD1-CE2 4.44Å; L18-F23 HydrophobicContact CD1-CZ 3.88Å; L18-F23 HydrophobicContact CG-CD1 4.31Å; L18-F23 HydrophobicContact CG-CE1 3.75Å; L18-F23 HydrophobicContact CG-CZ 4.2Å; L18-T181 VanDerWaalsContact CD2-OG1 3.28Å; L18-T181 WeakPolarHBondContact CD2-OG1 3.38Å; L18-S182 WeakPolarHBondContact O-CB 3.44Å; L18-F202 HydrophobicContact CD2-CE2 4.21Å; L18-F202 HydrophobicContact CD2-CZ 4.11Å; L18-V206 HydrophobicContact CD2-CG2 3.82Å
19G84.9Confident89.7Confident15 Ų1569.2 Ų69.216%0.15534%0.339CS..THydrogen-bonded Turntrans-77.5-4.417700000114.2A15 L17A15-G19 WeakPolarHBondContact O-CA 3.11Å; A15-G19 PolarHBondContact O-N 3.31Å; L17-G19 VanDerWaalsContact C-N 3.34Å; L17-G19 PolarHBondContact O-N 3.41Å
20N88.9Confident89.7Confident70 Ų7069.4 Ų69.437%0.37434%0.336SS..  trans-67133.4176.4-170.3-6.9000110.2R16 L17 L18 L22 F23 R24R16-N20 PolarHBondContact O-N 2.98Å; L17-N20 VanDerWaalsContact O-CB 3.26Å; L17-N20 WeakPolarHBondContact O-CB 3.41Å; L17-N20 PolarHBondContact O-N 3.26Å; L18-N20 PolarHBondContact O-N 2.76Å; N20-L22 PolarHBondContact O-N 3.42Å; N20-L22 PolarHBondContact OD1-N 3.49Å; N20-F23 HydrophobicContact CB-CB 4.25Å; N20-F23 PolarHBondContact O-N 3.09Å; N20-F23 VanDerWaalsContact O-N 3.15Å; N20-R24 PolarHBondContact O-N 2.92Å
21K85.1Confident89.8Confident149 Ų14965.2 Ų65.265%0.64831%0.314SS*.Hα-helixtrans-55.9-38.5176.8-67.9-177.6-177.6177.60111.6R24 Q25K21-R24 PolarHBondContact O-N 2.9Å; K21-Q25 WeakPolarHBondContact O-CB 3.4Å; K21-Q25 WeakPolarHBondContact O-CG 3.1Å; K21-Q25 PolarHBondContact O-N 3.15Å
22L87Confident89.8Confident105 Ų10567.4 Ų67.455%0.5533%0.33SS..Hα-helixtrans-62.9-47.5178.4-67.9-179.4000111.5N20 Q25 H26N20-L22 PolarHBondContact O-N 3.42Å; N20-L22 PolarHBondContact OD1-N 3.49Å; L22-Q25 PolarHBondContact O-N 3.28Å; L22-H26 WeakPolarHBondContact O-CB 3.42Å; L22-H26 PolarHBondContact O-N 3.22Å; L22-H26 PolarHBondContact O-ND1 3.4Å
23F88.4Confident90Very high44 Ų4467.2 Ų67.219%0.19333%0.334CS..Hα-helixtrans-59-52.8177.3-178.7-93.5000110.5L17 L18 N20 Q25 H26 F27 A178L17-F23 WeakPolarHBondContact O-CB 3.21Å; L18-F23 HydrophobicContact CB-CD1 4.48Å; L18-F23 HydrophobicContact CB-CE1 4.39Å; L18-F23 HydrophobicContact CD1-CE1 3.92Å; L18-F23 HydrophobicContact CD1-CE2 4.44Å; L18-F23 HydrophobicContact CD1-CZ 3.88Å; L18-F23 HydrophobicContact CG-CD1 4.31Å; L18-F23 HydrophobicContact CG-CE1 3.75Å; L18-F23 HydrophobicContact CG-CZ 4.2Å; N20-F23 HydrophobicContact CB-CB 4.25Å; N20-F23 PolarHBondContact O-N 3.09Å; N20-F23 VanDerWaalsContact O-N 3.15Å; F23-Q25 VanDerWaalsContact C-N 3.27Å; F23-Q25 PolarHBondContact O-N 2.82Å; F23-H26 PolarHBondContact O-N 3.32Å; F23-F27 HydrophobicContact CE1-CB 4.49Å; F23-F27 HydrophobicContact CE1-CD2 4.17Å; F23-F27 HydrophobicContact CE1-CG 4.37Å; F23-F27 AromaticContact CE2-CD2 3.71Å; F23-F27 HydrophobicContact CE2-CD2 3.71Å; F23-F27 HydrophobicContact CE2-CE2 4.3Å; F23-F27 AromaticContact CZ-CD2 3.47Å; F23-F27 HydrophobicContact CZ-CD2 3.47Å; F23-F27 VanDerWaalsContact CZ-CD2 3.47Å; F23-F27 AromaticContact CZ-CE2 3.92Å; F23-F27 HydrophobicContact CZ-CE2 3.92Å; F23-F27 HydrophobicContact CZ-CG 4.11Å; F23-F27 WeakPolarHBondContact O-CB 3.4Å; F23-F27 PolarHBondContact O-N 3.38Å; F23-A178 HydrophobicContact CE1-CB 4.21Å
24R84.7Confident90Very high106 Ų10663 Ų6340%0.431%0.313SS..Hα-helixtrans-58-38.1-179.9-168.6177.167.7-166.53.3113.1N20 K21N20-R24 PolarHBondContact O-N 2.92Å; K21-R24 PolarHBondContact O-N 2.9Å
25Q86.1Confident90.1Very high113 Ų11362.6 Ų62.653%0.52831%0.309SS..Hα-helixtrans-77-40.3179.4-75.4176.2-24.400113K21 L22 F23 H28K21-Q25 WeakPolarHBondContact O-CB 3.4Å; K21-Q25 WeakPolarHBondContact O-CG 3.1Å; K21-Q25 PolarHBondContact O-N 3.15Å; L22-Q25 PolarHBondContact O-N 3.28Å; F23-Q25 VanDerWaalsContact C-N 3.27Å; F23-Q25 PolarHBondContact O-N 2.82Å; Q25-H28 PolarHBondContact O-CE1 3.21Å; Q25-H28 PolarHBondContact O-ND1 3.48Å
26H90.4Very high90.1Very high91 Ų9166.3 Ų66.342%0.42133%0.331SS..Hα-helixtrans-101.4-5.5-169-59.680.1000113.9L22 F23 H28 L29 L30L22-H26 WeakPolarHBondContact O-CB 3.42Å; L22-H26 PolarHBondContact O-N 3.22Å; L22-H26 PolarHBondContact O-ND1 3.4Å; F23-H26 PolarHBondContact O-N 3.32Å; H26-H28 VanDerWaalsContact C-N 3.25Å; H26-H28 PolarHBondContact O-N 2.91Å; H26-L29 WeakPolarHBondContact O-CA 3.45Å; H26-L29 WeakPolarHBondContact O-CB 2.87Å; H26-L29 PolarHBondContact O-N 3.42Å; H26-L30 PolarHBondContact O-N 3.16Å
27F91.8Very high90.2Very high12 Ų1265.6 Ų65.65%0.05333%0.333CS..Hα-helixtrans-57.8-37.2-179.5-177.7-106.6000113F23 L29 L30 L31 C174 L175 A178 L209 I213F23-F27 HydrophobicContact CE1-CB 4.49Å; F23-F27 HydrophobicContact CE1-CD2 4.17Å; F23-F27 HydrophobicContact CE1-CG 4.37Å; F23-F27 AromaticContact CE2-CD2 3.71Å; F23-F27 HydrophobicContact CE2-CD2 3.71Å; F23-F27 HydrophobicContact CE2-CE2 4.3Å; F23-F27 AromaticContact CZ-CD2 3.47Å; F23-F27 HydrophobicContact CZ-CD2 3.47Å; F23-F27 VanDerWaalsContact CZ-CD2 3.47Å; F23-F27 AromaticContact CZ-CE2 3.92Å; F23-F27 HydrophobicContact CZ-CE2 3.92Å; F23-F27 HydrophobicContact CZ-CG 4.11Å; F23-F27 WeakPolarHBondContact O-CB 3.4Å; F23-F27 PolarHBondContact O-N 3.38Å; F27-L29 VanDerWaalsContact C-N 3.31Å; F27-L29 PolarHBondContact O-N 3.29Å; F27-L30 HydrophobicContact CD2-CD2 4.21Å; F27-L30 HydrophobicContact CE2-CD2 4.34Å; F27-L30 WeakPolarHBondContact O-CB 3.29Å; F27-L30 PolarHBondContact O-N 2.93Å; F27-L31 PolarHBondContact O-N 3.48Å; F27-C174 HydrophobicContact CE1-CB 4.2Å; F27-C174 HydrophobicContact CZ-CB 4.21Å; F27-L175 HydrophobicContact CD1-CD2 3.86Å; F27-L175 HydrophobicContact CE1-CD2 4.07Å; F27-A178 HydrophobicContact CD1-CB 3.51Å; F27-A178 HydrophobicContact CE1-CB 3.55Å; F27-A178 HydrophobicContact CG-CB 4.11Å; F27-A178 HydrophobicContact CZ-CB 4.16Å; F27-L209 HydrophobicContact CZ-CD1 3.97Å; F27-I213 HydrophobicContact CE2-CD1 4.09Å; F27-I213 HydrophobicContact CZ-CD1 4.18Å
28H92.1Very high90.1Very high23 Ų2360.6 Ų60.611%0.10631%0.308CS..Hα-helixtrans-65.3-33.3175.173.2-84000112.9Q25 H26 L31 S32 L175 W240 R241Q25-H28 PolarHBondContact O-CE1 3.21Å; Q25-H28 PolarHBondContact O-ND1 3.48Å; H26-H28 VanDerWaalsContact C-N 3.25Å; H26-H28 PolarHBondContact O-N 2.91Å; H28-L31 PolarHBondContact O-N 3.17Å; H28-S32 PolarHBondContact O-N 3Å; H28-S32 PolarHBondContact O-OG 2.89Å; H28-L175 HydrophobicContact CB-CD2 3.92Å; H28-W240 HydrophobicContact CB-CE3 4.39Å; H28-W240 HydrophobicContact CB-CH2 4.02Å; H28-W240 HydrophobicContact CB-CZ3 3.72Å; H28-W240 AromaticContact CG-CZ3 3.87Å; H28-W240 AromaticContact ND1-CH2 3.94Å; H28-R241 PolarHBondContact CD2-NH2 3.48Å; H28-R241 PolarHBondContact NE2-NH2 3Å; H28-R241 VanDerWaalsContact NE2-NH2 3.14Å
29L92.3Very high90.2Very high89 Ų8960.5 Ų60.547%0.46631%0.307SS..Hα-helixtrans-70.7-38.5175-62.7173.8000111.2H26 F27 L31 S32 A33H26-L29 WeakPolarHBondContact O-CA 3.45Å; H26-L29 WeakPolarHBondContact O-CB 2.87Å; H26-L29 PolarHBondContact O-N 3.42Å; F27-L29 VanDerWaalsContact C-N 3.31Å; F27-L29 PolarHBondContact O-N 3.29Å; L29-L31 VanDerWaalsContact C-N 3.3Å; L29-L31 PolarHBondContact O-N 3.04Å; L29-S32 PolarHBondContact O-N 3.35Å; L29-A33 WeakPolarHBondContact O-CB 3.34Å; L29-A33 PolarHBondContact O-N 3.3Å
30L92.1Very high90.4Very high96 Ų9662.4 Ų62.450%0.50332%0.322SS..Hα-helixtrans-57.9-46.2171.6177.569.6000110.4H26 F27 A33 V34H26-L30 PolarHBondContact O-N 3.16Å; F27-L30 HydrophobicContact CD2-CD2 4.21Å; F27-L30 HydrophobicContact CE2-CD2 4.34Å; F27-L30 WeakPolarHBondContact O-CB 3.29Å; F27-L30 PolarHBondContact O-N 2.93Å; L30-A33 PolarHBondContact O-N 2.77Å; L30-V34 WeakPolarHBondContact O-CG2 3.35Å; L30-V34 PolarHBondContact O-N 3.4Å
31L93.4Very high90.3Very high5 Ų562.6 Ų62.63%0.02632%0.322CS..Hα-helixtrans-64.6-41.8178.5-166.966.6000112F27 H28 L29 V34 L35 C171 L175 L216F27-L31 PolarHBondContact O-N 3.48Å; H28-L31 PolarHBondContact O-N 3.17Å; L29-L31 VanDerWaalsContact C-N 3.3Å; L29-L31 PolarHBondContact O-N 3.04Å; L31-V34 PolarHBondContact O-N 2.76Å; L31-L35 WeakPolarHBondContact O-CG 3.4Å; L31-L35 PolarHBondContact O-N 3.04Å; L31-C171 HydrophobicContact CD2-CB 3.85Å; L31-L175 HydrophobicContact CD2-CD1 4.04Å; L31-L175 HydrophobicContact CD2-CD2 4.01Å; L31-L175 HydrophobicContact CD2-CG 3.76Å; L31-L216 HydrophobicContact CD1-CD2 3.43Å; L31-L216 VanDerWaalsContact CD1-CD2 3.43Å
32S93.2Very high90.4Very high46 Ų4657.1 Ų57.132%0.32230%0.303SS..Hα-helixtrans-61.7-42173.3-58.90000112.3H28 L29 L35 V36H28-S32 PolarHBondContact O-N 3Å; H28-S32 PolarHBondContact O-OG 2.89Å; L29-S32 PolarHBondContact O-N 3.35Å; S32-L35 PolarHBondContact O-N 3.26Å; S32-V36 WeakPolarHBondContact O-CG2 3.45Å; S32-V36 PolarHBondContact O-N 2.96Å
33A93.6Very high90.4Very high40 Ų4059.1 Ų59.133%0.33131%0.314SS..Hα-helixtrans-62.6-43.5175.100000111.2L29 L30 L35 V36 F37L29-A33 WeakPolarHBondContact O-CB 3.34Å; L29-A33 PolarHBondContact O-N 3.3Å; L30-A33 PolarHBondContact O-N 2.77Å; A33-L35 VanDerWaalsContact C-N 3.31Å; A33-L35 PolarHBondContact O-N 2.89Å; A33-V36 PolarHBondContact O-N 2.88Å; A33-F37 HydrophobicContact CB-CD2 4.17Å; A33-F37 HydrophobicContact CB-CE2 4.41Å; A33-F37 WeakPolarHBondContact O-CB 3.28Å; A33-F37 WeakPolarHBondContact O-CD2 3.34Å; A33-F37 PolarHBondContact O-N 3.3Å
34V93.5Very high90.2Very high27 Ų2768 Ų6816%0.16435%0.346CS..Hα-helixtrans-59-41.7174.5167.90000111.4L30 L31 G38 L216 L217 L220L30-V34 WeakPolarHBondContact O-CG2 3.35Å; L30-V34 PolarHBondContact O-N 3.4Å; L31-V34 PolarHBondContact O-N 2.76Å; V34-G38 WeakPolarHBondContact O-CA 3.38Å; V34-G38 PolarHBondContact O-N 2.85Å; V34-L216 HydrophobicContact CG1-CD2 4.18Å; V34-L216 HydrophobicContact CG1-CG 4.47Å; V34-L217 HydrophobicContact CG1-CD2 3.69Å; V34-L217 HydrophobicContact CG1-CG 4.22Å; V34-L220 HydrophobicContact CG1-CD1 3.92Å; V34-L220 WeakPolarHBondContact O-CD1 3.41Å
35L93.6Very high90.2Very high5 Ų565 Ų653%0.02634%0.339CS..Hα-helixtrans-66.5-39.1178.3-72.4164.5000113.3L31 S32 A33 P39 V167 L216 L220 L230L31-L35 WeakPolarHBondContact O-CG 3.4Å; L31-L35 PolarHBondContact O-N 3.04Å; S32-L35 PolarHBondContact O-N 3.26Å; A33-L35 VanDerWaalsContact C-N 3.31Å; A33-L35 PolarHBondContact O-N 2.89Å; L35-P39 WeakPolarHBondContact O-CD 3.41Å; L35-V167 HydrophobicContact CD2-CG1 3.46Å; L35-V167 VanDerWaalsContact CD2-CG1 3.46Å; L35-L216 HydrophobicContact CD2-CD1 4.17Å; L35-L220 HydrophobicContact CD2-CD1 4.29Å; L35-L220 HydrophobicContact CD2-CD2 4.34Å; L35-L230 HydrophobicContact CB-CD1 4.43Å
36V92.4Very high89.8Confident79 Ų7962.9 Ų62.948%0.47934%0.337SS..Hα-helixtrans-76.5-45.9-178.4173.10000111.4S32 A33 L230S32-V36 WeakPolarHBondContact O-CG2 3.45Å; S32-V36 PolarHBondContact O-N 2.96Å; A33-V36 PolarHBondContact O-N 2.88Å; V36-L230 HydrophobicContact CG2-CD1 4.19Å
37F91.4Very high88.9Confident147 Ų14765.4 Ų65.465%0.64535%0.349SS*.Hα-helixtrans-92.8-21.5-174.7-62.2-67.3000113.6A33 P39 A40A33-F37 HydrophobicContact CB-CD2 4.17Å; A33-F37 HydrophobicContact CB-CE2 4.41Å; A33-F37 WeakPolarHBondContact O-CB 3.28Å; A33-F37 WeakPolarHBondContact O-CD2 3.34Å; A33-F37 PolarHBondContact O-N 3.3Å; F37-P39 VanDerWaalsContact C-N 3.33Å; F37-A40 VanDerWaalsContact O-CB 3.23Å; F37-A40 WeakPolarHBondContact O-CB 3.37Å; F37-A40 PolarHBondContact O-N 3.35Å
38G89Confident87.8Confident4 Ų473.5 Ų73.54%0.04139%0.386CS..G310 helixtrans-54.2-43.2-175.900000113.5V34 A40 L41V34-G38 WeakPolarHBondContact O-CA 3.38Å; V34-G38 PolarHBondContact O-N 2.85Å; G38-A40 PolarHBondContact O-N 3.29Å; G38-L41 WeakPolarHBondContact O-CB 3.33Å; G38-L41 WeakPolarHBondContact O-CG 3.31Å; G38-L41 PolarHBondContact O-N 3.48Å
39P90Very high87Confident4 Ų474.2 Ų74.23%0.02639%0.394CS..G310 helixtrans-67.3-17.4177.5-34.146.2000115.6L35 F37 L41 S42 L220 P224 F226L35-P39 WeakPolarHBondContact O-CD 3.41Å; F37-P39 VanDerWaalsContact C-N 3.33Å; P39-L41 PolarHBondContact O-N 3.26Å; P39-S42 VanDerWaalsContact O-CB 3.23Å; P39-S42 WeakPolarHBondContact O-CB 3.36Å; P39-S42 PolarHBondContact O-N 2.95Å; P39-S42 PolarHBondContact O-OG 3.49Å; P39-L220 WeakPolarHBondContact CA-O 3.45Å; P39-L220 HydrophobicContact CG-CB 4.02Å; P39-L220 HydrophobicContact CG-CD2 3.93Å; P39-L220 HydrophobicContact CG-CG 4.5Å; P39-P224 HydrophobicContact CB-CB 4.01Å; P39-F226 HydrophobicContact CB-CD2 4.11Å; P39-F226 HydrophobicContact CB-CE1 4.37Å; P39-F226 HydrophobicContact CB-CE2 3.04Å; P39-F226 HydrophobicContact CB-CZ 3.24Å; P39-F226 HydrophobicContact CG-CD2 4.4Å; P39-F226 HydrophobicContact CG-CE1 3.87Å; P39-F226 HydrophobicContact CG-CE2 3.45Å; P39-F226 VanDerWaalsContact CG-CE2 3.45Å; P39-F226 HydrophobicContact CG-CZ 3.13Å
40A89.3Confident86Confident56 Ų5675.7 Ų75.746%0.46340%0.401SS..G310 helixtrans-64.4-22.2169.900000111.9F37 G38 S42 L43F37-A40 VanDerWaalsContact O-CB 3.23Å; F37-A40 WeakPolarHBondContact O-CB 3.37Å; F37-A40 PolarHBondContact O-N 3.35Å; G38-A40 PolarHBondContact O-N 3.29Å; A40-S42 PolarHBondContact O-N 3.12Å; A40-L43 PolarHBondContact O-N 3.26Å
41L87.1Confident84.9Confident73 Ų7375 Ų7538%0.38239%0.394SS..G310 helixtrans-64.1-21.8172.7-58.9172000112.3G38 P39 L43 W44 V45 L217 A221G38-L41 WeakPolarHBondContact O-CB 3.33Å; G38-L41 WeakPolarHBondContact O-CG 3.31Å; G38-L41 PolarHBondContact O-N 3.48Å; P39-L41 PolarHBondContact O-N 3.26Å; L41-L43 PolarHBondContact O-N 2.94Å; L41-L43 VanDerWaalsContact O-N 3.16Å; L41-W44 PolarHBondContact O-N 3.44Å; L41-V45 VanDerWaalsContact O-CG2 3.32Å; L41-V45 WeakPolarHBondContact O-CG2 3.34Å; L41-V45 PolarHBondContact O-N 3.08Å; L41-V45 VanDerWaalsContact O-N 3.16Å; L41-L217 HydrophobicContact CD1-CD2 4.04Å; L41-A221 HydrophobicContact CB-CB 3.9Å
42S86.7Confident83.6Confident35 Ų3575.9 Ų75.925%0.24540%0.402CS..G310 helixtrans-58.5-27.2176.166.90000112.9P39 A40 W44 A221P39-S42 VanDerWaalsContact O-CB 3.23Å; P39-S42 WeakPolarHBondContact O-CB 3.36Å; P39-S42 PolarHBondContact O-N 2.95Å; P39-S42 PolarHBondContact O-OG 3.49Å; A40-S42 PolarHBondContact O-N 3.12Å; S42-W44 PolarHBondContact O-N 3.05Å; S42-A221 VanDerWaalsContact CA-O 3.3Å; S42-A221 WeakPolarHBondContact CA-O 3.47Å; S42-A221 WeakPolarHBondContact CB-O 3.26Å
43L86.8Confident82.7Confident147 Ų14780.4 Ų80.477%0.7742%0.416SS*.G310 helixtrans-70.3-20.9177.4-60176.1000113.4A40 L41A40-L43 PolarHBondContact O-N 3.26Å; L41-L43 PolarHBondContact O-N 2.94Å; L41-L43 VanDerWaalsContact O-N 3.16Å
44W85.8Confident81.4Confident231 Ų23184.1 Ų84.188%0.87542%0.422SS*.THydrogen-bonded Turntrans-109.7-18.6-173.1-6582.3000113L41 S42L41-W44 PolarHBondContact O-N 3.44Å; S42-W44 PolarHBondContact O-N 3.05Å
45V83.7Confident80.1Confident42 Ų4285.3 Ų85.326%0.25543%0.431SS..SBendtrans-88.6128.7-171.9169.40000111L41 H47 A221 Y222L41-V45 VanDerWaalsContact O-CG2 3.32Å; L41-V45 WeakPolarHBondContact O-CG2 3.34Å; L41-V45 PolarHBondContact O-N 3.08Å; L41-V45 VanDerWaalsContact O-N 3.16Å; V45-H47 PolarHBondContact O-N 3.02Å; V45-A221 HydrophobicContact CG2-CB 4.2Å; V45-Y222 HydrophobicContact CG1-CD1 3.71Å; V45-Y222 HydrophobicContact CG1-CE1 3.11Å; V45-Y222 HydrophobicContact CG1-CE2 4Å; V45-Y222 HydrophobicContact CG1-CG 4.39Å; V45-Y222 WeakPolarHBondContact CG1-OH 3.47Å
46S78.5Confident79.4Confident69 Ų6987.9 Ų87.948%0.48344%0.443SS..  trans-72.7127.2177.3177.70000111.9H48 S49S46-H48 PolarHBondContact O-N 2.67Å; S46-H48 VanDerWaalsContact O-N 3.11Å; S46-H48 PolarHBondContact OG-N 3.45Å; S46-S49 WeakPolarHBondContact O-CB 3.19Å; S46-S49 PolarHBondContact O-N 2.03Å
47H70.5Confident78.3Confident144 Ų14490.9 Ų90.967%0.66745%0.45SS*.THydrogen-bonded Turntrans-65.1-7.5174.5-68.4-78.1000114.5V45 S49 A52V45-H47 PolarHBondContact O-N 3.02Å; H47-S49 VanDerWaalsContact C-N 3.33Å; H47-A52 WeakPolarHBondContact O-CB 3.4Å
48H69Low77.2Confident181 Ų18188.3 Ų88.384%0.83844%0.442SS*.THydrogen-bonded Turntrans-87.9-1.3178-62.487.7000113.6S46S46-H48 PolarHBondContact O-N 2.67Å; S46-H48 VanDerWaalsContact O-N 3.11Å; S46-H48 PolarHBondContact OG-N 3.45Å
49S74.8Confident76.5Confident39 Ų3989 Ų8927%0.27344%0.443SS..SBendtrans-67.3147.8176.3175.40000111.9S46 H47 F51 A52 Y222S46-S49 WeakPolarHBondContact O-CB 3.19Å; S46-S49 PolarHBondContact O-N 2.03Å; H47-S49 VanDerWaalsContact C-N 3.33Å; S49-F51 PolarHBondContact O-N 2.88Å; S49-F51 PolarHBondContact OG-N 2.91Å; S49-A52 VanDerWaalsContact O-CB 3.31Å; S49-A52 WeakPolarHBondContact O-CB 3.4Å; S49-A52 PolarHBondContact O-N 3.31Å; S49-Y222 WeakPolarHBondContact CB-OH 3.25Å; S49-Y222 PolarHBondContact OG-OH 3.24Å
50I72.3Confident75.9Confident120 Ų12095.4 Ų95.462%0.61547%0.467SS*.G310 helixtrans-52.8-30.4175.9-60.9170.7000111.4
51F68Low75.5Confident82 Ų8296.7 Ų96.736%0.3647%0.466SS..G310 helixtrans-81.7-13.2-179.2-61.5-73.7000114.7S49 K53 F214 Y222S49-F51 PolarHBondContact O-N 2.88Å; S49-F51 PolarHBondContact OG-N 2.91Å; F51-K53 PolarHBondContact O-N 3.42Å; F51-F214 HydrophobicContact CE1-CE1 4.4Å; F51-F214 HydrophobicContact CZ-CE1 4.42Å; F51-F214 HydrophobicContact CZ-CZ 4.32Å; F51-Y222 HydrophobicContact CB-CD2 4.05Å; F51-Y222 HydrophobicContact CB-CE1 4.49Å; F51-Y222 HydrophobicContact CB-CE2 3.57Å
52A67.1Low75.1Confident23 Ų2396.5 Ų96.519%0.1946%0.462CS..G310 helixtrans-71.4-18.117700000112.6H47 S49 R54 Y222 F223H47-A52 WeakPolarHBondContact O-CB 3.4Å; S49-A52 VanDerWaalsContact O-CB 3.31Å; S49-A52 WeakPolarHBondContact O-CB 3.4Å; S49-A52 PolarHBondContact O-N 3.31Å; A52-R54 PolarHBondContact O-N 2.92Å; A52-Y222 VanDerWaalsContact CA-CD1 3.47Å; A52-Y222 HydrophobicContact CB-CD1 3.61Å; A52-Y222 HydrophobicContact CB-CE1 3.81Å; A52-F223 WeakPolarHBondContact O-CZ 3.29Å
53K74.1Confident74.8Confident141 Ų14195.3 Ų95.361%0.61345%0.453SS*.  trans-85.5103.8178.5-161.2175.6-171.1174.70110.4F51 S55 H56F51-K53 PolarHBondContact O-N 3.42Å; K53-S55 VanDerWaalsContact CE-OG 3.25Å; K53-S55 WeakPolarHBondContact CE-OG 3.4Å; K53-S55 WeakPolarHBondContact CG-OG 3.3Å; K53-S55 PolarHBondContact O-N 3.02Å; K53-H56 WeakPolarHBondContact O-CB 3.44Å; K53-H56 PolarHBondContact O-N 3.25Å
54R66.7Low74.6Confident118 Ų11899 Ų9945%0.44546%0.457SS..THydrogen-bonded Turntrans-55.4-24.5177.9-161.8170.5177.8148.90.1113.3A52 H56 Y59 F223A52-R54 PolarHBondContact O-N 2.92Å; R54-H56 VanDerWaalsContact C-N 3.26Å; R54-H56 PolarHBondContact O-N 3.44Å; R54-Y59 HydrophobicContact CG-CE1 4.5Å; R54-F223 HydrophobicContact CB-CD1 4.49Å; R54-F223 HydrophobicContact CB-CE1 3.62Å; R54-F223 HydrophobicContact CB-CE2 4.28Å; R54-F223 HydrophobicContact CB-CZ 3.5Å; R54-F223 HydrophobicContact CG-CE1 4.13Å; R54-F223 HydrophobicContact CG-CE2 4.35Å; R54-F223 HydrophobicContact CG-CZ 4.01Å
55S66.3Low74.7Confident51 Ų5190.1 Ų90.136%0.35743%0.429SS..THydrogen-bonded Turntrans-80.10.1179.182.10000114.3K53 F57 R60K53-S55 VanDerWaalsContact CE-OG 3.25Å; K53-S55 WeakPolarHBondContact CE-OG 3.4Å; K53-S55 WeakPolarHBondContact CG-OG 3.3Å; K53-S55 PolarHBondContact O-N 3.02Å; S55-F57 PolarHBondContact O-N 2.89Å; S55-R60 VanDerWaalsContact CA-CZ 3.49Å; S55-R60 PolarHBondContact O-NH2 2.85Å
56H77.4Confident74.9Confident60 Ų6088.2 Ų88.228%0.27842%0.418SS..  trans-61.7127.1-178.3-162.2-100.9000110.5K53 R54 L58 Y59 R60K53-H56 WeakPolarHBondContact O-CB 3.44Å; K53-H56 PolarHBondContact O-N 3.25Å; R54-H56 VanDerWaalsContact C-N 3.26Å; R54-H56 PolarHBondContact O-N 3.44Å; H56-L58 PolarHBondContact O-N 2.9Å; H56-Y59 PolarHBondContact O-N 3.41Å; H56-R60 PolarHBondContact O-N 3.26Å
57F70.7Confident75.6Confident142 Ų14286.8 Ų86.862%0.62340%0.402SS*.Hα-helixtrans-61-44.9-171.3174.8-102.1000112.1S55 Y59 R60 L61S55-F57 PolarHBondContact O-N 2.89Å; F57-Y59 VanDerWaalsContact C-N 3.3Å; F57-Y59 PolarHBondContact O-N 3.28Å; F57-R60 PolarHBondContact O-N 3.05Å; F57-L61 HydrophobicContact CE1-CB 4.42Å; F57-L61 HydrophobicContact CE1-CD2 3.71Å; F57-L61 HydrophobicContact CZ-CB 4.43Å; F57-L61 HydrophobicContact CZ-CD1 4.4Å; F57-L61 HydrophobicContact CZ-CD2 3.91Å; F57-L61 HydrophobicContact CZ-CG 4.49Å; F57-L61 VanDerWaalsContact O-CB 3.29Å; F57-L61 WeakPolarHBondContact O-CB 2.97Å; F57-L61 PolarHBondContact O-N 3.37Å
58L68.8Low76.7Confident93 Ų9381.5 Ų81.549%0.48739%0.387SS..Hα-helixtrans-60.2-41.4-179.8-63.2-179.7000111.9H56 L61 F62H56-L58 PolarHBondContact O-N 2.9Å; L58-L61 PolarHBondContact O-N 3.41Å; L58-F62 WeakPolarHBondContact O-CB 3.15Å; L58-F62 VanDerWaalsContact O-CD2 3.3Å; L58-F62 WeakPolarHBondContact O-CD2 3.4Å; L58-F62 PolarHBondContact O-N 3.34Å
59Y73.7Confident77.9Confident17 Ų1777.6 Ų77.67%0.06737%0.365CS..Hα-helixtrans-62.8-48.3179.2176.2-99.5000111.3R54 H56 F57 L63 L215 L219 F223R54-Y59 HydrophobicContact CG-CE1 4.5Å; H56-Y59 PolarHBondContact O-N 3.41Å; F57-Y59 VanDerWaalsContact C-N 3.3Å; F57-Y59 PolarHBondContact O-N 3.28Å; Y59-L63 HydrophobicContact CD1-CD1 3.71Å; Y59-L63 HydrophobicContact CD2-CD1 3.91Å; Y59-L63 HydrophobicContact CE1-CD1 3.36Å; Y59-L63 HydrophobicContact CE2-CD1 3.6Å; Y59-L63 HydrophobicContact CE2-CG 4.47Å; Y59-L63 HydrophobicContact CG-CD1 3.99Å; Y59-L63 WeakPolarHBondContact O-CB 3.25Å; Y59-L63 WeakPolarHBondContact O-CG 3.21Å; Y59-L63 PolarHBondContact O-N 3Å; Y59-L215 HydrophobicContact CD2-CD2 4.23Å; Y59-L219 HydrophobicContact CE2-CD1 3.91Å; Y59-L219 WeakPolarHBondContact OH-CD1 3.27Å; Y59-L219 VanDerWaalsContact OH-CG 3.29Å; Y59-L219 WeakPolarHBondContact OH-CG 3.36Å; Y59-F223 HydrophobicContact CE1-CE2 4.33Å; Y59-F223 WeakPolarHBondContact OH-CD2 3.47Å
60R77.4Confident78.9Confident140 Ų14075.8 Ų75.853%0.52835%0.352SS..Hα-helixtrans-66.7-39.7177.6-73.8-169.9-74.9-158.53.1113.2S55 H56 F57 R64S55-R60 VanDerWaalsContact CA-CZ 3.49Å; S55-R60 PolarHBondContact O-NH2 2.85Å; H56-R60 PolarHBondContact O-N 3.26Å; F57-R60 PolarHBondContact O-N 3.05Å; R60-R64 VanDerWaalsContact O-CB 3.25Å; R60-R64 WeakPolarHBondContact O-CB 3.5Å; R60-R64 PolarHBondContact O-N 3.11Å; R60-R64 VanDerWaalsContact O-N 3.08Å
61L79.9Confident79.9Confident83 Ų8371.9 Ų71.944%0.43534%0.335SS..Hα-helixtrans-65-47.3179.6-176.267.7000111F57 L58 S65F57-L61 HydrophobicContact CE1-CB 4.42Å; F57-L61 HydrophobicContact CE1-CD2 3.71Å; F57-L61 HydrophobicContact CZ-CB 4.43Å; F57-L61 HydrophobicContact CZ-CD1 4.4Å; F57-L61 HydrophobicContact CZ-CD2 3.91Å; F57-L61 HydrophobicContact CZ-CG 4.49Å; F57-L61 VanDerWaalsContact O-CB 3.29Å; F57-L61 WeakPolarHBondContact O-CB 2.97Å; F57-L61 PolarHBondContact O-N 3.37Å; L58-L61 PolarHBondContact O-N 3.41Å; L61-S65 WeakPolarHBondContact O-CB 3.33Å; L61-S65 PolarHBondContact O-N 2.92Å
62F80.1Confident81.2Confident69 Ų6971.9 Ų71.930%0.30334%0.342SS..Hα-helixtrans-69.9-40.6-178.9-87.9-78.6000112.9L58 G66 L211 L215L58-F62 WeakPolarHBondContact O-CB 3.15Å; L58-F62 VanDerWaalsContact O-CD2 3.3Å; L58-F62 WeakPolarHBondContact O-CD2 3.4Å; L58-F62 PolarHBondContact O-N 3.34Å; F62-G66 WeakPolarHBondContact O-CA 3.42Å; F62-G66 PolarHBondContact O-N 3.38Å; F62-L211 HydrophobicContact CD1-CD2 3.93Å; F62-L211 HydrophobicContact CE1-CD2 3.93Å; F62-L215 HydrophobicContact CB-CD1 4.05Å
63L80.6Confident82.6Confident10 Ų1072.9 Ų72.95%0.05234%0.342CS..Hα-helixtrans-64-49.9177.4-71.9174000111.8Y59 S65 G66 L170 L215 L219Y59-L63 HydrophobicContact CD1-CD1 3.71Å; Y59-L63 HydrophobicContact CD2-CD1 3.91Å; Y59-L63 HydrophobicContact CE1-CD1 3.36Å; Y59-L63 HydrophobicContact CE2-CD1 3.6Å; Y59-L63 HydrophobicContact CE2-CG 4.47Å; Y59-L63 HydrophobicContact CG-CD1 3.99Å; Y59-L63 WeakPolarHBondContact O-CB 3.25Å; Y59-L63 WeakPolarHBondContact O-CG 3.21Å; Y59-L63 PolarHBondContact O-N 3Å; L63-S65 VanDerWaalsContact C-N 3.28Å; L63-S65 PolarHBondContact O-N 3.03Å; L63-G66 PolarHBondContact O-N 3.48Å; L63-G66 VanDerWaalsContact O-N 3.12Å; L63-L170 HydrophobicContact CD2-CD1 3.61Å; L63-L170 HydrophobicContact CD2-CD2 4.12Å; L63-L170 HydrophobicContact CD2-CG 4.04Å; L63-L215 HydrophobicContact CD2-CB 4.4Å; L63-L219 HydrophobicContact CD1-CD1 3.63Å; L63-L219 HydrophobicContact CD2-CD1 3.91Å; L63-L219 HydrophobicContact CG-CD1 4.45Å
64R82.3Confident83.5Confident225 Ų22566.2 Ų66.285%0.84931%0.313SS*.Hα-helixtrans-69-28.5-177.7-165.1170-175.4165.92.5112.9R60 G66R60-R64 VanDerWaalsContact O-CB 3.25Å; R60-R64 WeakPolarHBondContact O-CB 3.5Å; R60-R64 PolarHBondContact O-N 3.11Å; R60-R64 VanDerWaalsContact O-N 3.08Å; R64-G66 VanDerWaalsContact C-N 3.35Å
65S87Confident84.8Confident43 Ų4360.8 Ų60.830%0.30129%0.294SS..THydrogen-bonded Turntrans-91.34.9176.6-164.20000113L61 L63 W67 G68 W69L61-S65 WeakPolarHBondContact O-CB 3.33Å; L61-S65 PolarHBondContact O-N 2.92Å; L63-S65 VanDerWaalsContact C-N 3.28Å; L63-S65 PolarHBondContact O-N 3.03Å; S65-W67 VanDerWaalsContact C-N 3.31Å; S65-W67 PolarHBondContact O-N 3.03Å; S65-G68 WeakPolarHBondContact O-CA 3.44Å; S65-G68 PolarHBondContact O-N 2.99Å; S65-W69 PolarHBondContact O-N 3.48Å; S65-W69 VanDerWaalsContact O-N 3.09Å; S65-W69 PolarHBondContact OG-NE1 2.86Å; S65-W69 VanDerWaalsContact OG-NE1 3.14Å
66G88.5Confident86.2Confident2 Ų260.9 Ų60.92%0.02130%0.295CS..Hα-helixtrans-58-40.6-170.400000114.3F62 L63 R64 T70 W212F62-G66 WeakPolarHBondContact O-CA 3.42Å; F62-G66 PolarHBondContact O-N 3.38Å; L63-G66 PolarHBondContact O-N 3.48Å; L63-G66 VanDerWaalsContact O-N 3.12Å; R64-G66 VanDerWaalsContact C-N 3.35Å; G66-T70 WeakPolarHBondContact O-CB 3.33Å; G66-T70 PolarHBondContact O-N 2.84Å; G66-T70 VanDerWaalsContact O-N 3.11Å; G66-T70 PolarHBondContact O-OG1 3.14Å; G66-W212 WeakPolarHBondContact O-CZ2 3.45Å
67W93.4Very high87Confident39 Ų3958 Ų5815%0.14828%0.282CS..Hα-helixtrans-63.6-42174.2-173.5-111.6000112.7S65 T70 C71 L99 A102 G103 W106 L169 L176S65-W67 VanDerWaalsContact C-N 3.31Å; S65-W67 PolarHBondContact O-N 3.03Å; W67-T70 PolarHBondContact O-N 3.03Å; W67-C71 VanDerWaalsContact CZ2-SG 3.56Å; W67-C71 PolarHBondContact NE1-SG 3.08Å; W67-C71 WeakPolarHBondContact O-CB 3.46Å; W67-C71 PolarHBondContact O-N 3.25Å; W67-C71 PolarHBondContact O-SG 3.16Å; W67-L99 WeakPolarHBondContact CH2-O 3.5Å; W67-L99 WeakPolarHBondContact CZ2-O 3.36Å; W67-A102 HydrophobicContact CH2-CB 3.78Å; W67-A102 HydrophobicContact CZ3-CB 4.48Å; W67-G103 VanDerWaalsContact CE2-CA 3.49Å; W67-G103 VanDerWaalsContact CH2-N 3.32Å; W67-W106 HydrophobicContact CB-CE3 4.48Å; W67-W106 HydrophobicContact CB-CH2 4.4Å; W67-W106 HydrophobicContact CB-CZ3 4.11Å; W67-W106 HydrophobicContact CD2-CE3 4.36Å; W67-W106 HydrophobicContact CG-CE3 4.1Å; W67-W106 AromaticContact CG-CZ3 3.99Å; W67-W106 HydrophobicContact CG-CZ3 3.99Å; W67-L169 HydrophobicContact CB-CD1 3.99Å; W67-L169 HydrophobicContact CE3-CD1 4.1Å; W67-L176 HydrophobicContact CH2-CD1 4.11Å; W67-L176 HydrophobicContact CZ3-CD1 4.29Å
68G93.6Very high88Confident34 Ų3451.5 Ų51.535%0.35125%0.253SS..Hα-helixtrans-63.6-49.7-178.600000112.2S65 T70 C71 V72S65-G68 WeakPolarHBondContact O-CA 3.44Å; S65-G68 PolarHBondContact O-N 2.99Å; G68-T70 VanDerWaalsContact C-N 3.32Å; G68-T70 PolarHBondContact O-N 2.94Å; G68-C71 WeakPolarHBondContact O-CB 3.01Å; G68-C71 PolarHBondContact O-N 3.32Å; G68-V72 WeakPolarHBondContact O-CG2 3.35Å; G68-V72 PolarHBondContact O-N 3.39Å
69W93.5Very high89Confident99 Ų9950.5 Ų50.538%0.37525%0.245SC..Hα-helixtrans-61.8-41176.2-68111.2000112.3S65 C71 V72 F73 L208 W212S65-W69 PolarHBondContact O-N 3.48Å; S65-W69 VanDerWaalsContact O-N 3.09Å; S65-W69 PolarHBondContact OG-NE1 2.86Å; S65-W69 VanDerWaalsContact OG-NE1 3.14Å; W69-C71 VanDerWaalsContact C-N 3.34Å; W69-C71 PolarHBondContact O-N 3Å; W69-V72 PolarHBondContact O-N 3.28Å; W69-F73 HydrophobicContact CE3-CD2 4.38Å; W69-F73 AromaticContact CE3-CE2 3.6Å; W69-F73 HydrophobicContact CE3-CE2 3.6Å; W69-F73 HydrophobicContact CE3-CZ 4.17Å; W69-F73 HydrophobicContact CZ3-CE2 4.22Å; W69-F73 HydrophobicContact CZ3-CZ 4.36Å; W69-F73 VanDerWaalsContact O-CD2 3.29Å; W69-F73 WeakPolarHBondContact O-CD2 3.04Å; W69-F73 PolarHBondContact O-N 3.05Å; W69-L208 HydrophobicContact CB-CD1 4.21Å; W69-W212 HydrophobicContact CB-CH2 4.41Å; W69-W212 HydrophobicContact CB-CZ2 4.03Å
70T94.8Very high89.8Confident0 Ų052.8 Ų52.80%026%0.258CS..Hα-helixtrans-59.8-45.5174.9-62.40000111G66 W67 G68 V74 C173 L176 L177 W212G66-T70 WeakPolarHBondContact O-CB 3.33Å; G66-T70 PolarHBondContact O-N 2.84Å; G66-T70 VanDerWaalsContact O-N 3.11Å; G66-T70 PolarHBondContact O-OG1 3.14Å; W67-T70 PolarHBondContact O-N 3.03Å; G68-T70 VanDerWaalsContact C-N 3.32Å; G68-T70 PolarHBondContact O-N 2.94Å; T70-V74 HydrophobicContact CG2-CG2 4.22Å; T70-V74 WeakPolarHBondContact O-CB 3.4Å; T70-V74 WeakPolarHBondContact O-CG2 3.42Å; T70-V74 PolarHBondContact O-N 3.43Å; T70-C173 HydrophobicContact CG2-CB 4.5Å; T70-C173 PolarHBondContact OG1-SG 3.05Å; T70-C173 VanDerWaalsContact OG1-SG 3.38Å; T70-L176 HydrophobicContact CG2-CD2 3.92Å; T70-L177 HydrophobicContact CG2-CD1 3.55Å; T70-W212 PolarHBondContact OG1-NE1 3.35Å
71C94.5Very high90.3Very high39 Ų3946.5 Ų46.526%0.26424%0.235SC..Hα-helixtrans-62.3-43.8176.7-720000113W67 G68 W69 G75W67-C71 VanDerWaalsContact CZ2-SG 3.56Å; W67-C71 PolarHBondContact NE1-SG 3.08Å; W67-C71 WeakPolarHBondContact O-CB 3.46Å; W67-C71 PolarHBondContact O-N 3.25Å; W67-C71 PolarHBondContact O-SG 3.16Å; G68-C71 WeakPolarHBondContact O-CB 3.01Å; G68-C71 PolarHBondContact O-N 3.32Å; W69-C71 VanDerWaalsContact C-N 3.34Å; W69-C71 PolarHBondContact O-N 3Å; C71-G75 WeakPolarHBondContact O-CA 3.28Å; C71-G75 PolarHBondContact O-N 2.93Å
72V95.1Very high90.7Very high82 Ų8242.8 Ų42.850%0.49722%0.216SC..Hα-helixtrans-64.7-53.8-178.41710000110.9G68 W69 S76G68-V72 WeakPolarHBondContact O-CG2 3.35Å; G68-V72 PolarHBondContact O-N 3.39Å; W69-V72 PolarHBondContact O-N 3.28Å; V72-S76 WeakPolarHBondContact O-CB 3.37Å; V72-S76 PolarHBondContact O-N 2.96Å; V72-S76 VanDerWaalsContact O-N 3.09Å; V72-S76 PolarHBondContact O-OG 3.35Å
73F95.4Very high90.9Very high44 Ų4444.5 Ų44.519%0.19322%0.221CC..Hα-helixtrans-73.5-49.5-174.9-69.2-59.5000112.3W69 F77 L201 L204 L208W69-F73 HydrophobicContact CE3-CD2 4.38Å; W69-F73 AromaticContact CE3-CE2 3.6Å; W69-F73 HydrophobicContact CE3-CE2 3.6Å; W69-F73 HydrophobicContact CE3-CZ 4.17Å; W69-F73 HydrophobicContact CZ3-CE2 4.22Å; W69-F73 HydrophobicContact CZ3-CZ 4.36Å; W69-F73 VanDerWaalsContact O-CD2 3.29Å; W69-F73 WeakPolarHBondContact O-CD2 3.04Å; W69-F73 PolarHBondContact O-N 3.05Å; F73-F77 WeakPolarHBondContact O-CB 2.94Å; F73-F77 PolarHBondContact O-N 3.3Å; F73-L201 HydrophobicContact CD1-CD1 4.07Å; F73-L204 HydrophobicContact CD1-CB 4Å; F73-L204 HydrophobicContact CD1-CD1 4.24Å; F73-L204 HydrophobicContact CE1-CB 4.18Å; F73-L204 HydrophobicContact CE1-CD1 3.92Å; F73-L204 HydrophobicContact CE1-CG 4.47Å; F73-L208 HydrophobicContact CB-CD2 4.28Å; F73-L208 HydrophobicContact CD2-CD1 4.26Å; F73-L208 HydrophobicContact CD2-CD2 3.84Å; F73-L208 HydrophobicContact CE2-CD1 4.44Å
74V94.8Very high91Very high0 Ų046 Ų460%023%0.233CC..Hα-helixtrans-70.7-40.5-179.6-177.80000111.1T70 S76 F77 V78 L99 L176 L177 E180T70-V74 HydrophobicContact CG2-CG2 4.22Å; T70-V74 WeakPolarHBondContact O-CB 3.4Å; T70-V74 WeakPolarHBondContact O-CG2 3.42Å; T70-V74 PolarHBondContact O-N 3.43Å; V74-S76 VanDerWaalsContact C-N 3.35Å; V74-S76 PolarHBondContact O-N 3.13Å; V74-F77 WeakPolarHBondContact O-CB 3.34Å; V74-F77 PolarHBondContact O-N 3.38Å; V74-F77 VanDerWaalsContact O-N 3.16Å; V74-V78 HydrophobicContact CG1-CG2 4Å; V74-V78 WeakPolarHBondContact O-CB 3.41Å; V74-V78 VanDerWaalsContact O-CG2 3.29Å; V74-V78 WeakPolarHBondContact O-CG2 3.35Å; V74-V78 PolarHBondContact O-N 3.05Å; V74-L99 HydrophobicContact CB-CD2 4.25Å; V74-L99 HydrophobicContact CG1-CD1 4.21Å; V74-L99 HydrophobicContact CG1-CD2 4.31Å; V74-L176 HydrophobicContact CB-CD2 4.45Å; V74-L176 HydrophobicContact CG1-CD2 4.01Å; V74-L176 HydrophobicContact CG2-CD2 4.41Å; V74-L177 HydrophobicContact CG2-CD1 3.25Å; V74-L177 HydrophobicContact CG2-CG 3.58Å; V74-E180 HydrophobicContact CG1-CB 3.74Å; V74-E180 HydrophobicContact CG1-CG 3.91Å
75G93.5Very high90.8Very high5 Ų537.1 Ų37.15%0.05220%0.202CC..Hα-helixtrans-61.2-45.2177.800000111.5C71 F77 V78 F79C71-G75 WeakPolarHBondContact O-CA 3.28Å; C71-G75 PolarHBondContact O-N 2.93Å; G75-F77 VanDerWaalsContact C-N 3.32Å; G75-F77 PolarHBondContact O-N 2.91Å; G75-V78 PolarHBondContact O-N 3.41Å; G75-F79 VanDerWaalsContact O-CB 3.25Å; G75-F79 WeakPolarHBondContact O-CB 2.94Å; G75-F79 PolarHBondContact O-N 3.15Å
76S94.4Very high90.2Very high53 Ų5339.1 Ų39.137%0.37120%0.203SC..Hα-helixtrans-62.6-40.3174.4-59.10000111.6V72 V74 F79 L80V72-S76 WeakPolarHBondContact O-CB 3.37Å; V72-S76 PolarHBondContact O-N 2.96Å; V72-S76 VanDerWaalsContact O-N 3.09Å; V72-S76 PolarHBondContact O-OG 3.35Å; V74-S76 VanDerWaalsContact C-N 3.35Å; V74-S76 PolarHBondContact O-N 3.13Å; S76-F79 PolarHBondContact O-N 3.2Å; S76-L80 WeakPolarHBondContact O-CB 3.38Å; S76-L80 WeakPolarHBondContact O-CG 3.43Å; S76-L80 PolarHBondContact O-N 3.12Å
77F94.1Very high89.6Confident0 Ų049 Ų490%024%0.239CC..Hα-helixtrans-63.8-50179.2171.3-103.2000111.4F73 V74 G75 F79 L80 L81 T181 F184 L198 L201 F202F73-F77 WeakPolarHBondContact O-CB 2.94Å; F73-F77 PolarHBondContact O-N 3.3Å; V74-F77 WeakPolarHBondContact O-CB 3.34Å; V74-F77 PolarHBondContact O-N 3.38Å; V74-F77 VanDerWaalsContact O-N 3.16Å; G75-F77 VanDerWaalsContact C-N 3.32Å; G75-F77 PolarHBondContact O-N 2.91Å; F77-F79 VanDerWaalsContact C-N 3.29Å; F77-F79 PolarHBondContact O-N 2.9Å; F77-L80 PolarHBondContact O-N 2.8Å; F77-L81 HydrophobicContact CE1-CD2 4.09Å; F77-L81 HydrophobicContact CZ-CD2 3.87Å; F77-L81 VanDerWaalsContact O-CB 3.25Å; F77-L81 WeakPolarHBondContact O-CB 3.16Å; F77-L81 PolarHBondContact O-N 3.48Å; F77-T181 HydrophobicContact CE1-CG2 4.47Å; F77-F184 HydrophobicContact CE2-CD2 4.11Å; F77-F184 HydrophobicContact CE2-CG 4.33Å; F77-F184 HydrophobicContact CZ-CB 3.97Å; F77-F184 HydrophobicContact CZ-CD2 4.14Å; F77-F184 HydrophobicContact CZ-CG 4.2Å; F77-L198 HydrophobicContact CD2-CD1 3.94Å; F77-L198 HydrophobicContact CE2-CD1 3.91Å; F77-L201 VanDerWaalsContact CA-CD2 3.47Å; F77-L201 HydrophobicContact CB-CD2 4.05Å; F77-L201 HydrophobicContact CB-CG 4.01Å; F77-L201 VanDerWaalsContact N-CD2 3.29Å; F77-F202 HydrophobicContact CD2-CB 4.21Å; F77-F202 HydrophobicContact CE2-CB 3.92Å; F77-F202 HydrophobicContact CE2-CD2 4.01Å; F77-F202 HydrophobicContact CE2-CG 4.44Å; F77-F202 HydrophobicContact CZ-CD2 4.14Å
78V91.7Very high88.9Confident5 Ų549.1 Ų49.13%0.0325%0.246CC..Hα-helixtrans-61.8-40.6177.7171.60000110.4V74 G75 S82 H95 E180V74-V78 HydrophobicContact CG1-CG2 4Å; V74-V78 WeakPolarHBondContact O-CB 3.41Å; V74-V78 VanDerWaalsContact O-CG2 3.29Å; V74-V78 WeakPolarHBondContact O-CG2 3.35Å; V74-V78 PolarHBondContact O-N 3.05Å; G75-V78 PolarHBondContact O-N 3.41Å; V78-S82 WeakPolarHBondContact O-CB 3.43Å; V78-S82 PolarHBondContact O-N 3.41Å; V78-S82 PolarHBondContact O-OG 3.47Å; V78-H95 HydrophobicContact CG1-CB 3.56Å; V78-E180 HydrophobicContact CG2-CB 4.3Å; V78-E180 HydrophobicContact CG2-CG 4.47Å; V78-E180 WeakPolarHBondContact CG2-OE2 3.32Å
79F91.3Very high88.3Confident72 Ų7251.3 Ų51.332%0.31625%0.253SS..Hα-helixtrans-61.7-54.1177.5-178.8-100.3000111.7G75 S76 F77 S82 Y83 S92 L96G75-F79 VanDerWaalsContact O-CB 3.25Å; G75-F79 WeakPolarHBondContact O-CB 2.94Å; G75-F79 PolarHBondContact O-N 3.15Å; S76-F79 PolarHBondContact O-N 3.2Å; F77-F79 VanDerWaalsContact C-N 3.29Å; F77-F79 PolarHBondContact O-N 2.9Å; F79-S82 PolarHBondContact O-N 3.2Å; F79-Y83 WeakPolarHBondContact O-CB 3.37Å; F79-Y83 PolarHBondContact O-N 3.46Å; F79-S92 WeakPolarHBondContact CA-OG 3.49Å; F79-S92 WeakPolarHBondContact CD2-OG 3.44Å; F79-S92 PolarHBondContact O-OG 3.05Å; F79-L96 HydrophobicContact CB-CD1 3.99Å; F79-L96 HydrophobicContact CD2-CD1 3.71Å; F79-L96 HydrophobicContact CG-CD1 4.32Å
80L90Very high87.7Confident65 Ų6553 Ų5334%0.3427%0.268SS..Hα-helixtrans-65.1-41.4-178-73.6-178.7000112S76 F77 Y83 S84 L198 L201S76-L80 WeakPolarHBondContact O-CB 3.38Å; S76-L80 WeakPolarHBondContact O-CG 3.43Å; S76-L80 PolarHBondContact O-N 3.12Å; F77-L80 PolarHBondContact O-N 2.8Å; L80-Y83 PolarHBondContact O-N 2.7Å; L80-S84 VanDerWaalsContact O-CB 3.26Å; L80-S84 WeakPolarHBondContact O-CB 3.48Å; L80-S84 PolarHBondContact O-N 2.9Å; L80-L198 HydrophobicContact CB-CD1 4.11Å; L80-L201 HydrophobicContact CD1-CD2 3.77Å
81L88.5Confident86.9Confident7 Ų756.2 Ų56.24%0.03728%0.283CS..Hα-helixtrans-62.4-46.6176.6-177.163.8000111.2F77 I85 V183 F184 Y187 L198F77-L81 HydrophobicContact CE1-CD2 4.09Å; F77-L81 HydrophobicContact CZ-CD2 3.87Å; F77-L81 VanDerWaalsContact O-CB 3.25Å; F77-L81 WeakPolarHBondContact O-CB 3.16Å; F77-L81 PolarHBondContact O-N 3.48Å; L81-I85 HydrophobicContact CD1-CD1 4.12Å; L81-I85 HydrophobicContact CG-CD1 4.25Å; L81-I85 WeakPolarHBondContact O-CD1 3.08Å; L81-I85 WeakPolarHBondContact O-CG1 3.35Å; L81-I85 PolarHBondContact O-N 3.3Å; L81-V183 HydrophobicContact CD2-CG1 4.37Å; L81-F184 HydrophobicContact CD1-CD2 4.39Å; L81-Y187 HydrophobicContact CD1-CD1 3.86Å; L81-Y187 HydrophobicContact CD1-CD2 4.27Å; L81-Y187 HydrophobicContact CD1-CE1 3.87Å; L81-Y187 HydrophobicContact CD1-CE2 4.29Å; L81-Y187 HydrophobicContact CD1-CG 4.04Å; L81-L198 HydrophobicContact CB-CD1 4.18Å; L81-L198 HydrophobicContact CD1-CD2 4.14Å
82S87.4Confident86.4Confident6 Ų654.4 Ų54.44%0.04227%0.271CS..Hα-helixtrans-67.3-40.4-180-58.10000111.9V78 F79 I85 R86 H95V78-S82 WeakPolarHBondContact O-CB 3.43Å; V78-S82 PolarHBondContact O-N 3.41Å; V78-S82 PolarHBondContact O-OG 3.47Å; F79-S82 PolarHBondContact O-N 3.2Å; S82-I85 PolarHBondContact O-N 3.42Å; S82-R86 PolarHBondContact O-N 3.34Å; S82-R86 VanDerWaalsContact O-N 3.07Å; S82-H95 PolarHBondContact OG-CD2 2.94Å
83Y85.1Confident85.8Confident104 Ų10455 Ų5541%0.40827%0.271SS..Hα-helixtrans-67.6-41.4178.4-175.1-100.5000112F79 L80 I85 R87F79-Y83 WeakPolarHBondContact O-CB 3.37Å; F79-Y83 PolarHBondContact O-N 3.46Å; L80-Y83 PolarHBondContact O-N 2.7Å; Y83-I85 PolarHBondContact O-N 2.96Å; Y83-R87 WeakPolarHBondContact O-CA 3.43Å; Y83-R87 PolarHBondContact O-N 3.44Å
84S82.6Confident85.3Confident42 Ų4256.5 Ų56.529%0.29428%0.275SS..Hα-helixtrans-57.8-36175.9176.50000112.2L80L80-S84 VanDerWaalsContact O-CB 3.26Å; L80-S84 WeakPolarHBondContact O-CB 3.48Å; L80-S84 PolarHBondContact O-N 2.9Å
85I76.8Confident84.8Confident39 Ų3957 Ų5720%0.228%0.277CS..Hα-helixtrans-83.9-46.8-175.6-63.5165.4000112.7L81 S82 Y83 Y187 L264L81-I85 HydrophobicContact CD1-CD1 4.12Å; L81-I85 HydrophobicContact CG-CD1 4.25Å; L81-I85 WeakPolarHBondContact O-CD1 3.08Å; L81-I85 WeakPolarHBondContact O-CG1 3.35Å; L81-I85 PolarHBondContact O-N 3.3Å; S82-I85 PolarHBondContact O-N 3.42Å; Y83-I85 PolarHBondContact O-N 2.96Å; I85-Y187 HydrophobicContact CD1-CD2 3.78Å; I85-Y187 HydrophobicContact CD1-CE2 3.5Å; I85-Y187 HydrophobicContact CG1-CD2 4.38Å; I85-Y187 HydrophobicContact CG1-CE2 3.61Å; I85-L264 HydrophobicContact CB-CD2 3.96Å; I85-L264 HydrophobicContact CD1-CB 4.11Å; I85-L264 HydrophobicContact CD1-CD1 4.15Å; I85-L264 HydrophobicContact CD1-CD2 3.72Å; I85-L264 HydrophobicContact CD1-CG 4.2Å; I85-L264 HydrophobicContact CG1-CD2 4.44Å; I85-L264 HydrophobicContact CG2-CD2 3.76Å
86R74.8Confident84.6Confident85 Ų8558.9 Ų58.932%0.32129%0.286SS..Hα-helixtrans-109.9-10.1-172.7-82-150.6-103.4-159.3-8.6115.4S82 S88 H91 M267S82-R86 PolarHBondContact O-N 3.34Å; S82-R86 VanDerWaalsContact O-N 3.07Å; R86-S88 PolarHBondContact O-N 3.1Å; R86-H91 PolarHBondContact NH1-CE1 2.84Å; R86-M267 HydrophobicContact CG-SD 4.34Å
87R75.4Confident84.3Confident209 Ų20958.3 Ų58.379%0.78928%0.282SS*.  trans49.319.5-174.2-63.9-173.3177-178.7-0.8115.1Y83Y83-R87 WeakPolarHBondContact O-CA 3.43Å; Y83-R87 PolarHBondContact O-N 3.44Å
88S78.7Confident84.2Confident41 Ų4158.7 Ų58.729%0.28728%0.283SS..  trans-116.3124.1-176.7175.10000110.8R86 S92R86-S88 PolarHBondContact O-N 3.1Å; S88-S92 PolarHBondContact O-N 3.42Å
89V81.7Confident84.3Confident81 Ų8158.8 Ų58.849%0.49128%0.284SS..Hα-helixtrans-66.5-41.1-178.3178.70000111.2H91 S92 L93V89-H91 VanDerWaalsContact C-N 3.35Å; V89-H91 PolarHBondContact O-N 3.44Å; V89-S92 WeakPolarHBondContact O-CB 3.36Å; V89-S92 PolarHBondContact O-N 3.33Å; V89-S92 VanDerWaalsContact O-N 3.11Å; V89-L93 HydrophobicContact CG1-CD1 4.04Å; V89-L93 HydrophobicContact CG1-CG 4.19Å; V89-L93 WeakPolarHBondContact O-CG 3.33Å; V89-L93 PolarHBondContact O-N 2.96Å
90L81.1Confident84.3Confident135 Ų13558.8 Ų58.871%0.70730%0.297SS*.Hα-helixtrans-63.9-39.5-176.4-17264.2000112.3R94L90-R94 PolarHBondContact O-N 3.01Å
91H78.8Confident84.5Confident67 Ų6757.6 Ų57.631%0.3129%0.293SS..Hα-helixtrans-68-37.9174.2-77.5-61000112.3R86 V89 R94 H95R86-H91 PolarHBondContact NH1-CE1 2.84Å; V89-H91 VanDerWaalsContact C-N 3.35Å; V89-H91 PolarHBondContact O-N 3.44Å; H91-R94 PolarHBondContact O-N 3.5Å; H91-H95 PolarHBondContact O-CD2 2.86Å; H91-H95 PolarHBondContact O-N 3.41Å
92S82.3Confident84.8Confident0 Ų057.3 Ų57.30%029%0.291CS..Hα-helixtrans-62.6-48.2175.6-164.60000111.1F79 S88 V89 R94 H95 L96F79-S92 WeakPolarHBondContact CA-OG 3.49Å; F79-S92 WeakPolarHBondContact CD2-OG 3.44Å; F79-S92 PolarHBondContact O-OG 3.05Å; S88-S92 PolarHBondContact O-N 3.42Å; V89-S92 WeakPolarHBondContact O-CB 3.36Å; V89-S92 PolarHBondContact O-N 3.33Å; V89-S92 VanDerWaalsContact O-N 3.11Å; S92-R94 PolarHBondContact O-N 3.16Å; S92-H95 WeakPolarHBondContact O-CA 3.49Å; S92-H95 WeakPolarHBondContact O-CB 3.48Å; S92-H95 PolarHBondContact O-N 3.39Å; S92-L96 WeakPolarHBondContact O-CD1 3.32Å; S92-L96 PolarHBondContact O-N 3.3Å
93L83.3Confident85.1Confident95 Ų9557.2 Ų57.250%0.49729%0.291SS..Hα-helixtrans-57.5-35.2177.3-72.1176.2000112.9V89 H95 L96 S97V89-L93 HydrophobicContact CG1-CD1 4.04Å; V89-L93 HydrophobicContact CG1-CG 4.19Å; V89-L93 WeakPolarHBondContact O-CG 3.33Å; V89-L93 PolarHBondContact O-N 2.96Å; L93-H95 VanDerWaalsContact C-N 3.31Å; L93-H95 PolarHBondContact O-N 2.87Å; L93-L96 HydrophobicContact CD2-CD1 4.37Å; L93-L96 WeakPolarHBondContact O-CB 3.45Å; L93-L96 PolarHBondContact O-N 3Å; L93-S97 PolarHBondContact O-N 2.91Å
94R84.5Confident85.5Confident75 Ų7554.1 Ų54.128%0.28329%0.291SS..Hα-helixtrans-66.2-31.4173.7-173.4173.7-176177.8-4.7113.3L90 H91 S92 S97 P252 S253 C256 P257L90-R94 PolarHBondContact O-N 3.01Å; H91-R94 PolarHBondContact O-N 3.5Å; S92-R94 PolarHBondContact O-N 3.16Å; R94-S97 PolarHBondContact O-OG 3.38Å; R94-P252 VanDerWaalsContact NH2-CA 3.25Å; R94-P252 VanDerWaalsContact NH2-CB 3.35Å; R94-P252 PolarHBondContact NH2-O 3.4Å; R94-P252 VanDerWaalsContact NH2-O 3.15Å; R94-S253 PolarHBondContact NH2-O 3.38Å; R94-C256 PolarHBondContact NE-O 3.29Å; R94-C256 PolarHBondContact NH2-O 3.13Å; R94-P257 HydrophobicContact CG-CB 4.36Å; R94-P257 WeakPolarHBondContact O-CB 3.27Å
95H85.4Confident86.1Confident10 Ų1054.6 Ų54.65%0.04629%0.29CS..Hα-helixtrans-76.7-34.5172.8-65.7-54.9000111.5V78 S82 H91 S92 L93 S97 R98V78-H95 HydrophobicContact CG1-CB 3.56Å; S82-H95 PolarHBondContact OG-CD2 2.94Å; H91-H95 PolarHBondContact O-CD2 2.86Å; H91-H95 PolarHBondContact O-N 3.41Å; S92-H95 WeakPolarHBondContact O-CA 3.49Å; S92-H95 WeakPolarHBondContact O-CB 3.48Å; S92-H95 PolarHBondContact O-N 3.39Å; L93-H95 VanDerWaalsContact C-N 3.31Å; L93-H95 PolarHBondContact O-N 2.87Å; H95-S97 VanDerWaalsContact C-N 3.27Å; H95-S97 PolarHBondContact O-N 2.88Å; H95-R98 WeakPolarHBondContact O-CB 3.42Å; H95-R98 PolarHBondContact O-N 3.45Å
96L88.4Confident86.9Confident45 Ų4554.9 Ų54.924%0.23629%0.288CS..Hα-helixtrans-64.3-29.1171.4-80.1129.5000113.2F79 S92 L93 R98 L99 A100F79-L96 HydrophobicContact CB-CD1 3.99Å; F79-L96 HydrophobicContact CD2-CD1 3.71Å; F79-L96 HydrophobicContact CG-CD1 4.32Å; S92-L96 WeakPolarHBondContact O-CD1 3.32Å; S92-L96 PolarHBondContact O-N 3.3Å; L93-L96 HydrophobicContact CD2-CD1 4.37Å; L93-L96 WeakPolarHBondContact O-CB 3.45Å; L93-L96 PolarHBondContact O-N 3Å; L96-R98 PolarHBondContact O-N 2.99Å; L96-R98 VanDerWaalsContact O-N 3.09Å; L96-L99 WeakPolarHBondContact O-CB 3.33Å; L96-L99 PolarHBondContact O-N 3.48Å; L96-A100 PolarHBondContact O-N 3.45Å
97S89.5Confident87.8Confident42 Ų4255.4 Ų55.429%0.29430%0.297SS..Hα-helixtrans-62.2-19177.976.50000113L93 R94 H95 L99 A100 V101L93-S97 PolarHBondContact O-N 2.91Å; R94-S97 PolarHBondContact O-OG 3.38Å; H95-S97 VanDerWaalsContact C-N 3.27Å; H95-S97 PolarHBondContact O-N 2.88Å; S97-L99 VanDerWaalsContact C-N 3.33Å; S97-L99 PolarHBondContact O-N 2.98Å; S97-A100 PolarHBondContact O-N 3.25Å; S97-V101 WeakPolarHBondContact O-CB 3.13Å; S97-V101 VanDerWaalsContact O-CG2 3.27Å; S97-V101 WeakPolarHBondContact O-CG2 3.38Å; S97-V101 PolarHBondContact O-N 3.05Å
98R91.1Very high88.7Confident7 Ų749.2 Ų49.23%0.02629%0.285CS..Hα-helixtrans-59.2-43.4169.9-66.3-164.7-66.8-120.6-2.9112.4H95 L96 V101 A102 E180 Y248 P257 G258H95-R98 WeakPolarHBondContact O-CB 3.42Å; H95-R98 PolarHBondContact O-N 3.45Å; L96-R98 PolarHBondContact O-N 2.99Å; L96-R98 VanDerWaalsContact O-N 3.09Å; R98-V101 PolarHBondContact O-N 3.34Å; R98-A102 WeakPolarHBondContact O-CB 3.31Å; R98-A102 PolarHBondContact O-N 2.85Å; R98-E180 IonicContact CZ-OE1 3.48Å; R98-E180 IonicContact CZ-OE2 3.39Å; R98-E180 IonicContact NE-OE1 2.79Å; R98-E180 PolarHBondContact NE-OE1 3.08Å; R98-E180 IonicContact NE-OE2 3.42Å; R98-E180 PolarHBondContact NE-OE2 3.45Å; R98-E180 IonicContact NH2-OE1 3.58Å; R98-E180 IonicContact NH2-OE2 2.67Å; R98-E180 PolarHBondContact NH2-OE2 2.83Å; R98-Y248 WeakPolarHBondContact CA-OH 3.46Å; R98-Y248 HydrophobicContact CB-CE2 4.04Å; R98-Y248 HydrophobicContact CG-CD2 4.38Å; R98-Y248 HydrophobicContact CG-CE2 3.76Å; R98-Y248 PolarHBondContact O-OH 3.5Å; R98-P257 HydrophobicContact CG-CB 3.64Å; R98-P257 HydrophobicContact CG-CG 3.5Å; R98-G258 PolarHBondContact NH1-O 2.8Å
99L92.9Very high89.4Confident8 Ų849.8 Ų49.84%0.04228%0.282CS..Hα-helixtrans-66.2-44.7176.7-82.564.6000110W67 V74 L96 S97 V101 A102 G103 L176W67-L99 WeakPolarHBondContact CH2-O 3.5Å; W67-L99 WeakPolarHBondContact CZ2-O 3.36Å; V74-L99 HydrophobicContact CB-CD2 4.25Å; V74-L99 HydrophobicContact CG1-CD1 4.21Å; V74-L99 HydrophobicContact CG1-CD2 4.31Å; L96-L99 WeakPolarHBondContact O-CB 3.33Å; L96-L99 PolarHBondContact O-N 3.48Å; S97-L99 VanDerWaalsContact C-N 3.33Å; S97-L99 PolarHBondContact O-N 2.98Å; L99-V101 VanDerWaalsContact C-N 3.32Å; L99-V101 PolarHBondContact O-N 2.97Å; L99-A102 PolarHBondContact O-N 3.43Å; L99-G103 PolarHBondContact O-N 3.29Å; L99-L176 HydrophobicContact CD1-CD2 4.49Å; L99-L176 HydrophobicContact CG-CD2 4.45Å
100A92.7Very high89.9Confident71 Ų7146.5 Ų46.559%0.58726%0.263SS*.Hα-helixtrans-59.1-43.5177.600000112.1L96 S97 G103 G104L96-A100 PolarHBondContact O-N 3.45Å; S97-A100 PolarHBondContact O-N 3.25Å; A100-G103 PolarHBondContact O-N 3.37Å; A100-G104 PolarHBondContact O-N 3.41Å
101V93.6Very high90.5Very high41 Ų4144.6 Ų44.625%0.24826%0.257CS..Hα-helixtrans-63.5-45.7176.3167.20000111.4S97 R98 L99 G103 G104 L105 L243 W247S97-V101 WeakPolarHBondContact O-CB 3.13Å; S97-V101 VanDerWaalsContact O-CG2 3.27Å; S97-V101 WeakPolarHBondContact O-CG2 3.38Å; S97-V101 PolarHBondContact O-N 3.05Å; R98-V101 PolarHBondContact O-N 3.34Å; L99-V101 VanDerWaalsContact C-N 3.32Å; L99-V101 PolarHBondContact O-N 2.97Å; V101-G103 VanDerWaalsContact C-N 3.33Å; V101-G103 PolarHBondContact O-N 3.04Å; V101-G104 PolarHBondContact O-N 2.95Å; V101-L105 WeakPolarHBondContact O-CB 3.43Å; V101-L105 PolarHBondContact O-N 2.99Å; V101-L243 HydrophobicContact CG1-CD2 3.59Å; V101-W247 HydrophobicContact CG1-CE3 4.11Å; V101-W247 HydrophobicContact CG1-CH2 4.21Å; V101-W247 HydrophobicContact CG1-CZ3 3.44Å; V101-W247 VanDerWaalsContact CG1-CZ3 3.44Å; V101-W247 HydrophobicContact CG2-CH2 4.36Å; V101-W247 HydrophobicContact CG2-CZ3 4.38Å
102A93.9Very high91.1Very high1 Ų146 Ų461%0.00827%0.266CS..Hα-helixtrans-63.1-39.1177.300000112.3W67 R98 L99 L105 W106 L176 L243W67-A102 HydrophobicContact CH2-CB 3.78Å; W67-A102 HydrophobicContact CZ3-CB 4.48Å; R98-A102 WeakPolarHBondContact O-CB 3.31Å; R98-A102 PolarHBondContact O-N 2.85Å; L99-A102 PolarHBondContact O-N 3.43Å; A102-L105 PolarHBondContact O-N 3.48Å; A102-W106 WeakPolarHBondContact O-CB 3.49Å; A102-W106 PolarHBondContact O-N 2.93Å; A102-L176 HydrophobicContact CB-CD1 3.62Å; A102-L243 HydrophobicContact CB-CD1 3.91Å
103G93.6Very high91.5Very high3 Ų347.1 Ų47.13%0.03127%0.272CS..Hα-helixtrans-68-42.5175.600000112.9W67 L99 A100 V101 L105 W106 L107W67-G103 VanDerWaalsContact CE2-CA 3.49Å; W67-G103 VanDerWaalsContact CH2-N 3.32Å; L99-G103 PolarHBondContact O-N 3.29Å; A100-G103 PolarHBondContact O-N 3.37Å; V101-G103 VanDerWaalsContact C-N 3.33Å; V101-G103 PolarHBondContact O-N 3.04Å; G103-L105 VanDerWaalsContact C-N 3.33Å; G103-L105 PolarHBondContact O-N 3.19Å; G103-W106 PolarHBondContact O-N 3.4Å; G103-L107 WeakPolarHBondContact O-CG 3.38Å; G103-L107 PolarHBondContact O-N 3.46Å
104G94.7Very high91.8Very high40 Ų4045.8 Ų45.841%0.41227%0.265SS..Hα-helixtrans-62.6-40.6174.200000112.2A100 V101 L107 C108A100-G104 PolarHBondContact O-N 3.41Å; V101-G104 PolarHBondContact O-N 2.95Å; G104-L107 PolarHBondContact O-N 2.65Å; G104-C108 VanDerWaalsContact O-CB 3.31Å; G104-C108 WeakPolarHBondContact O-CB 3.42Å; G104-C108 PolarHBondContact O-N 2.99Å
105L94.3Very high92Very high51 Ų5147.2 Ų47.227%0.26728%0.278SS..Hα-helixtrans-63.9-44175.2-174.263.2000111.5V101 A102 G103 C108 F109 L243V101-L105 WeakPolarHBondContact O-CB 3.43Å; V101-L105 PolarHBondContact O-N 2.99Å; A102-L105 PolarHBondContact O-N 3.48Å; G103-L105 VanDerWaalsContact C-N 3.33Å; G103-L105 PolarHBondContact O-N 3.19Å; L105-C108 PolarHBondContact O-N 2.99Å; L105-F109 HydrophobicContact CD1-CD2 3.93Å; L105-F109 HydrophobicContact CD1-CE2 3.53Å; L105-F109 HydrophobicContact CD2-CE2 4.21Å; L105-F109 HydrophobicContact CG-CD2 3.84Å; L105-F109 HydrophobicContact CG-CE2 3.69Å; L105-F109 VanDerWaalsContact O-CD2 3.24Å; L105-F109 WeakPolarHBondContact O-CD2 2.99Å; L105-F109 PolarHBondContact O-N 3.46Å; L105-L243 HydrophobicContact CD2-CD1 3.8Å; L105-L243 HydrophobicContact CD2-CD2 4.15Å; L105-L243 HydrophobicContact CD2-CG 3.88Å
106W94.3Very high92.2Very high46 Ų4650.3 Ų50.317%0.17430%0.295CS..Hα-helixtrans-58.2-50.6174.8165.764000111.9W67 A102 G103 C108 F109 C110 F168 L169 L172W67-W106 HydrophobicContact CB-CE3 4.48Å; W67-W106 HydrophobicContact CB-CH2 4.4Å; W67-W106 HydrophobicContact CB-CZ3 4.11Å; W67-W106 HydrophobicContact CD2-CE3 4.36Å; W67-W106 HydrophobicContact CG-CE3 4.1Å; W67-W106 AromaticContact CG-CZ3 3.99Å; W67-W106 HydrophobicContact CG-CZ3 3.99Å; A102-W106 WeakPolarHBondContact O-CB 3.49Å; A102-W106 PolarHBondContact O-N 2.93Å; G103-W106 PolarHBondContact O-N 3.4Å; W106-C108 VanDerWaalsContact C-N 3.31Å; W106-C108 PolarHBondContact O-N 3.04Å; W106-F109 PolarHBondContact O-N 3.34Å; W106-F109 VanDerWaalsContact O-N 3.17Å; W106-C110 PolarHBondContact NE1-SG 3.22Å; W106-C110 VanDerWaalsContact NE1-SG 3.36Å; W106-C110 PolarHBondContact O-N 3.27Å; W106-F168 AromaticContact CD1-CD1 3.81Å; W106-F168 AromaticContact CD1-CE1 3.46Å; W106-F168 VanDerWaalsContact CD1-CE1 3.46Å; W106-F168 HydrophobicContact CG-CE1 4.38Å; W106-L169 HydrophobicContact CD2-CD1 4.16Å; W106-L169 HydrophobicContact CG-CD1 4.37Å; W106-L169 HydrophobicContact CZ2-CD1 4.31Å; W106-L169 HydrophobicContact CZ2-CD2 4.12Å; W106-L172 HydrophobicContact CB-CD2 3.82Å; W106-L172 HydrophobicContact CG-CD2 4.48Å
107L94.3Very high92.2Very high95 Ų9548.9 Ų48.950%0.49729%0.287SS..Hα-helixtrans-59.4-43177.5-70.9173.9000111.8G103 G104 F109 C110 T111G103-L107 WeakPolarHBondContact O-CG 3.38Å; G103-L107 PolarHBondContact O-N 3.46Å; G104-L107 PolarHBondContact O-N 2.65Å; L107-F109 VanDerWaalsContact C-N 3.34Å; L107-F109 PolarHBondContact O-N 3.46Å; L107-C110 PolarHBondContact O-N 3.3Å; L107-T111 PolarHBondContact O-N 3.25Å; L107-T111 PolarHBondContact O-OG1 3.15Å; L107-T111 VanDerWaalsContact O-OG1 3.08Å
108C94.3Very high92Very high80 Ų8050.3 Ų50.354%0.54129%0.291SS..Hα-helixtrans-59.6-44.1176.4-1800000111.8G104 L105 W106 T111 L112G104-C108 VanDerWaalsContact O-CB 3.31Å; G104-C108 WeakPolarHBondContact O-CB 3.42Å; G104-C108 PolarHBondContact O-N 2.99Å; L105-C108 PolarHBondContact O-N 2.99Å; W106-C108 VanDerWaalsContact C-N 3.31Å; W106-C108 PolarHBondContact O-N 3.04Å; C108-T111 PolarHBondContact O-N 3.22Å; C108-L112 WeakPolarHBondContact O-CB 3.45Å; C108-L112 PolarHBondContact O-N 2.88Å
109F93.6Very high91.8Very high52 Ų5254.6 Ų54.623%0.22832%0.318CS..Hα-helixtrans-65.2-42.3175.1-85.5-66.7000112.5L105 W106 L107 T111 L112 L113 F168 L235 S239L105-F109 HydrophobicContact CD1-CD2 3.93Å; L105-F109 HydrophobicContact CD1-CE2 3.53Å; L105-F109 HydrophobicContact CD2-CE2 4.21Å; L105-F109 HydrophobicContact CG-CD2 3.84Å; L105-F109 HydrophobicContact CG-CE2 3.69Å; L105-F109 VanDerWaalsContact O-CD2 3.24Å; L105-F109 WeakPolarHBondContact O-CD2 2.99Å; L105-F109 PolarHBondContact O-N 3.46Å; W106-F109 PolarHBondContact O-N 3.34Å; W106-F109 VanDerWaalsContact O-N 3.17Å; L107-F109 VanDerWaalsContact C-N 3.34Å; L107-F109 PolarHBondContact O-N 3.46Å; F109-T111 PolarHBondContact O-N 3.21Å; F109-L112 PolarHBondContact O-N 3.24Å; F109-L113 WeakPolarHBondContact O-CB 3.43Å; F109-L113 WeakPolarHBondContact O-CG 3.34Å; F109-L113 PolarHBondContact O-N 3.42Å; F109-F168 HydrophobicContact CB-CE1 3.56Å; F109-F168 HydrophobicContact CB-CZ 3.75Å; F109-F168 AromaticContact CD2-CZ 3.89Å; F109-F168 HydrophobicContact CD2-CZ 3.89Å; F109-F168 HydrophobicContact CG-CE1 4.32Å; F109-F168 HydrophobicContact CG-CZ 4.02Å; F109-L235 HydrophobicContact CE1-CD2 4.25Å; F109-S239 WeakPolarHBondContact CE2-OG 3.47Å
110C91.8Very high91.4Very high12 Ų1257.8 Ų57.88%0.08134%0.338CS..Hα-helixtrans-57.5-50174.6-74.60000111.1W106 L107 L112 L113 D114W106-C110 PolarHBondContact NE1-SG 3.22Å; W106-C110 VanDerWaalsContact NE1-SG 3.36Å; W106-C110 PolarHBondContact O-N 3.27Å; L107-C110 PolarHBondContact O-N 3.3Å; C110-L112 VanDerWaalsContact C-N 3.31Å; C110-L112 PolarHBondContact O-N 3.01Å; C110-L113 PolarHBondContact O-N 2.92Å; C110-D114 WeakPolarHBondContact O-CB 3.45Å; C110-D114 PolarHBondContact O-N 2.86Å
111T92.5Very high91Very high95 Ų9555 Ų5558%0.58332%0.316SS*.Hα-helixtrans-62.3-37.9178-53.50000112.6L107 C108 F109 L115L107-T111 PolarHBondContact O-N 3.25Å; L107-T111 PolarHBondContact O-OG1 3.15Å; L107-T111 VanDerWaalsContact O-OG1 3.08Å; C108-T111 PolarHBondContact O-N 3.22Å; F109-T111 PolarHBondContact O-N 3.21Å; T111-L115 WeakPolarHBondContact O-CB 3.41Å; T111-L115 PolarHBondContact O-N 2.88Å
112L92.5Very high90.6Very high96 Ų9654.9 Ų54.950%0.50332%0.317SS..Hα-helixtrans-67.7-41.1177-177.365.5000111.8C108 F109 C110 L115 L116C108-L112 WeakPolarHBondContact O-CB 3.45Å; C108-L112 PolarHBondContact O-N 2.88Å; F109-L112 PolarHBondContact O-N 3.24Å; C110-L112 VanDerWaalsContact C-N 3.31Å; C110-L112 PolarHBondContact O-N 3.01Å; L112-L115 PolarHBondContact O-N 2.88Å; L112-L116 WeakPolarHBondContact O-CB 3.39Å; L112-L116 PolarHBondContact O-N 3.34Å
113L91.3Very high90.2Very high24 Ų2454.9 Ų54.913%0.12632%0.317CS..Hα-helixtrans-67.2-41.1177.1-70.9172.5000111.2F109 C110 L115 L116 E117 V163 L235F109-L113 WeakPolarHBondContact O-CB 3.43Å; F109-L113 WeakPolarHBondContact O-CG 3.34Å; F109-L113 PolarHBondContact O-N 3.42Å; C110-L113 PolarHBondContact O-N 2.92Å; L113-L115 VanDerWaalsContact C-N 3.32Å; L113-L115 PolarHBondContact O-N 2.95Å; L113-L116 PolarHBondContact O-N 2.88Å; L113-E117 WeakPolarHBondContact O-CB 3.37Å; L113-E117 PolarHBondContact O-N 2.81Å; L113-V163 HydrophobicContact CD1-CB 4.12Å; L113-V163 HydrophobicContact CD1-CG1 4.08Å; L113-V163 HydrophobicContact CD2-CB 4.04Å; L113-V163 HydrophobicContact CD2-CG1 4.46Å; L113-V163 HydrophobicContact CD2-CG2 3.86Å; L113-L235 HydrophobicContact CD1-CD1 3.92Å; L113-L235 HydrophobicContact CD2-CD1 4.21Å
114D88.9Confident89.8Confident67 Ų6757.4 Ų57.436%0.35833%0.326SS..Hα-helixtrans-58.8-44.7172.8-76.6-36.1000111.4C110 E117 N118C110-D114 WeakPolarHBondContact O-CB 3.45Å; C110-D114 PolarHBondContact O-N 2.86Å; D114-E117 PolarHBondContact O-N 3.23Å; D114-N118 WeakPolarHBondContact O-CB 3.49Å; D114-N118 PolarHBondContact O-N 3.09Å; D114-N118 PolarHBondContact O-ND2 3.22Å
115L89.2Confident89.2Confident105 Ų10560 Ų6055%0.5533%0.328SS..Hα-helixtrans-65.1-43.4176.9-177.664.1000111.2T111 L112 L113 N118 T119T111-L115 WeakPolarHBondContact O-CB 3.41Å; T111-L115 PolarHBondContact O-N 2.88Å; L112-L115 PolarHBondContact O-N 2.88Å; L113-L115 VanDerWaalsContact C-N 3.32Å; L113-L115 PolarHBondContact O-N 2.95Å; L115-N118 PolarHBondContact O-N 2.95Å; L115-T119 HydrophobicContact CD1-CG2 4.34Å; L115-T119 WeakPolarHBondContact O-CB 3.39Å; L115-T119 VanDerWaalsContact O-CG2 3.29Å; L115-T119 WeakPolarHBondContact O-CG2 3.42Å; L115-T119 PolarHBondContact O-N 3.28Å; L115-T119 PolarHBondContact O-OG1 3.24Å
116L88.4Confident88.3Confident76 Ų7660.1 Ų60.140%0.39833%0.332SS..Hα-helixtrans-63.4-43.2178.2-171.769.4000111.2L112 L113 T119 T120L112-L116 WeakPolarHBondContact O-CB 3.39Å; L112-L116 PolarHBondContact O-N 3.34Å; L113-L116 PolarHBondContact O-N 2.88Å; L116-T119 WeakPolarHBondContact CA-OG1 3.49Å; L116-T119 PolarHBondContact O-N 2.75Å; L116-T119 PolarHBondContact O-OG1 3.26Å; L116-T120 HydrophobicContact CD1-CG2 3.88Å; L116-T120 HydrophobicContact CG-CG2 4.18Å; L116-T120 WeakPolarHBondContact O-CB 3.32Å; L116-T120 WeakPolarHBondContact O-CG2 3.3Å; L116-T120 PolarHBondContact O-N 2.91Å; L116-T120 PolarHBondContact O-OG1 3.13Å
117E88.3Confident87.1Confident14 Ų1461.4 Ų61.47%0.06534%0.342CS..Hα-helixtrans-63.6-44.2177.1-163.5-160.8151.500111.1L113 D114 T119 G121 K148 W158L113-E117 WeakPolarHBondContact O-CB 3.37Å; L113-E117 PolarHBondContact O-N 2.81Å; D114-E117 PolarHBondContact O-N 3.23Å; E117-T119 VanDerWaalsContact C-N 3.26Å; E117-T119 PolarHBondContact O-N 3.14Å; E117-G121 WeakPolarHBondContact O-CA 3.37Å; E117-G121 PolarHBondContact O-N 3.35Å; E117-K148 VanDerWaalsContact OE1-CE 3.32Å; E117-K148 WeakPolarHBondContact OE1-CE 3.26Å; E117-K148 IonicContact OE1-NZ 2.8Å; E117-K148 PolarHBondContact OE1-NZ 3.48Å; E117-K148 IonicContact OE2-NZ 2.67Å; E117-K148 PolarHBondContact OE2-NZ 3.21Å; E117-W158 WeakPolarHBondContact O-CZ2 3.32Å; E117-W158 PolarHBondContact OE1-NE1 3.01Å
118N86.6Confident85.5Confident72 Ų7262.6 Ų62.639%0.38536%0.358SS..Hα-helixtrans-64.5-29.9178.4-75.6-36.6000113.1D114 L115 K148D114-N118 WeakPolarHBondContact O-CB 3.49Å; D114-N118 PolarHBondContact O-N 3.09Å; D114-N118 PolarHBondContact O-ND2 3.22Å; L115-N118 PolarHBondContact O-N 2.95Å; N118-K148 WeakPolarHBondContact OD1-CB 3.32Å
119T85.3Confident83.6Confident98 Ų9864.4 Ų64.460%0.60137%0.366SS*.Hα-helixtrans-89.3-32.7-178.749.70000113.6L115 L116 E117L115-T119 HydrophobicContact CD1-CG2 4.34Å; L115-T119 WeakPolarHBondContact O-CB 3.39Å; L115-T119 VanDerWaalsContact O-CG2 3.29Å; L115-T119 WeakPolarHBondContact O-CG2 3.42Å; L115-T119 PolarHBondContact O-N 3.28Å; L115-T119 PolarHBondContact O-OG1 3.24Å; L116-T119 WeakPolarHBondContact CA-OG1 3.49Å; L116-T119 PolarHBondContact O-N 2.75Å; L116-T119 PolarHBondContact O-OG1 3.26Å; E117-T119 VanDerWaalsContact C-N 3.26Å; E117-T119 PolarHBondContact O-N 3.14Å
120T85.3Confident81.6Confident75 Ų7565.2 Ų65.246%0.4639%0.389SS..Hα-helixtrans-94.4-20.1-178.659.10000113.1L116L116-T120 HydrophobicContact CD1-CG2 3.88Å; L116-T120 HydrophobicContact CG-CG2 4.18Å; L116-T120 WeakPolarHBondContact O-CB 3.32Å; L116-T120 WeakPolarHBondContact O-CG2 3.3Å; L116-T120 PolarHBondContact O-N 2.91Å; L116-T120 PolarHBondContact O-OG1 3.13Å
121G83.9Confident79.3Confident12 Ų1270.5 Ų70.512%0.12442%0.423CS..  trans-76.1161-179.500000112.8E117 W158 R159E117-G121 WeakPolarHBondContact O-CA 3.37Å; E117-G121 PolarHBondContact O-N 3.35Å; G121-W158 VanDerWaalsContact C-CZ2 3.48Å; G121-R159 VanDerWaalsContact CA-O 3.28Å; G121-R159 WeakPolarHBondContact CA-O 3.38Å
122S85.4Confident77.3Confident39 Ų3974.9 Ų74.927%0.27344%0.437SS..EExtended strand (participates in β ladder)trans-133.9144.4179.3-71.50000110.2Y124 L142 R159S122-Y124 WeakPolarHBondContact O-CD2 3.41Å; S122-Y124 WeakPolarHBondContact O-CE2 3.44Å; S122-L142 VanDerWaalsContact CB-CD1 3.47Å; S122-R159 PolarHBondContact N-O 3.35Å; S122-R159 PolarHBondContact O-N 3.36Å
123C86.4Confident75.2Confident1 Ų176.4 Ų76.41%0.00745%0.451CS..EExtended strand (participates in β ladder)trans-90.6135.2177-169.20000110.6K143 C151 M156 W158C123-K143 PolarHBondContact O-N 3.47Å; C123-C151 VanDerWaalsContact CA-SG 3.51Å; C123-C151 HydrophobicContact CB-CB 3.69Å; C123-C151 WeakPolarHBondContact CB-SG 3.3Å; C123-C151 VanDerWaalsContact SG-CA 3.57Å; C123-C151 WeakPolarHBondContact SG-CB 3.5Å; C123-C151 CovalentContact SG-SG 2.03Å; C123-C151 PolarHBondContact SG-SG 3.19Å; C123-M156 VanDerWaalsContact SG-CB 3.53Å; C123-M156 WeakPolarHBondContact SG-CE 3.47Å; C123-W158 HydrophobicContact CB-CE3 4.09Å; C123-W158 HydrophobicContact CB-CZ3 4.17Å
124Y83.4Confident73Confident55 Ų5581.7 Ų81.722%0.21648%0.484CS..EExtended strand (participates in β ladder)trans-123.3125.8-179.8-64.6-86000111.2S122 L140 V141 L142 M156 V157 R159S122-Y124 WeakPolarHBondContact O-CD2 3.41Å; S122-Y124 WeakPolarHBondContact O-CE2 3.44Å; Y124-L140 HydrophobicContact CD1-CB 3.82Å; Y124-L140 HydrophobicContact CD1-CD1 4.44Å; Y124-L140 HydrophobicContact CG-CB 4.22Å; Y124-L140 HydrophobicContact CG-CD1 4.3Å; Y124-V141 WeakPolarHBondContact CA-O 3.28Å; Y124-L142 HydrophobicContact CD1-CD1 4.4Å; Y124-L142 HydrophobicContact CE1-CB 4.32Å; Y124-L142 HydrophobicContact CE1-CD1 3.85Å; Y124-M156 WeakPolarHBondContact O-CB 3.29Å; Y124-V157 WeakPolarHBondContact CB-O 3.35Å; Y124-V157 PolarHBondContact N-O 2.88Å; Y124-V157 PolarHBondContact O-N 3.49Å; Y124-R159 HydrophobicContact CD2-CB 4.14Å; Y124-R159 HydrophobicContact CD2-CG 3.95Å; Y124-R159 HydrophobicContact CE2-CB 3.72Å; Y124-R159 HydrophobicContact CE2-CG 3.93Å
125E82.4Confident70.9Confident95 Ų9582.3 Ų82.344%0.44451%0.506SS..EExtended strand (participates in β ladder)trans-87.1124.4172.8-169.3173.417200109.9L127 V141 M156E125-L127 PolarHBondContact O-N 2.97Å; E125-V141 HydrophobicContact CB-CB 4.5Å; E125-V141 PolarHBondContact N-O 2.99Å; E125-V141 PolarHBondContact O-N 3.37Å; E125-M156 HydrophobicContact CB-SD 4.03Å; E125-M156 HydrophobicContact CG-SD 4.32Å
126P75.4Confident69.2Low54 Ų5480.7 Ų80.735%0.35151%0.514SS..EExtended strand (participates in β ladder)trans-77.1111.5177.329.4-31.6000110.9S128 L140P126-S128 PolarHBondContact O-N 2.92Å; P126-L140 HydrophobicContact CB-CD2 4.32Å
127L70.8Confident67.5Low73 Ų7385.4 Ų85.438%0.38254%0.535SS..  trans-76.8118.3178.9-136.675.9000110.5E125 L139 V141E125-L127 PolarHBondContact O-N 2.97Å; L127-L139 HydrophobicContact CB-CB 4.37Å; L127-L139 HydrophobicContact CB-CD2 4.5Å; L127-L139 HydrophobicContact CD2-CD2 3.87Å; L127-L139 PolarHBondContact N-O 3.48Å; L127-V141 HydrophobicContact CD1-CG2 3.87Å
128S60.5Low66Low120 Ų12089.2 Ų89.284%0.83956%0.56SS**  trans-96.923.2-177.8-65.50000114.6P126P126-S128 PolarHBondContact O-N 2.92Å
129T53Low64.7Low117 Ų11791.5 Ų91.572%0.71857%0.572SS**  trans-126.1109.1-170.852.30000114
130G51.5Low63.9Low69 Ų6988.8 Ų88.871%0.71155%0.554SS**SBendtrans122.9148.8158.600000115.4
131P45.2Very low63.4Low123 Ų12388.3 Ų88.380%0.79955%0.55SS**SBendtrans-63145.6-151.829-35000113V133P131-V133 PolarHBondContact O-N 3.46Å
132E49.3Very low63.1Low187 Ų18791.3 Ų91.387%0.87456%0.563SS**  trans-3098.4178.2-62.7-168.2152.300113T134E132-T134 PolarHBondContact O-N 3.26Å
133V49.5Very low62.4Low129 Ų12993.5 Ų93.578%0.78257%0.568SS**  trans-69.695.7156.4-1780000104.9P131 G135P131-V133 PolarHBondContact O-N 3.46Å; V133-G135 PolarHBondContact O-N 2.92Å
134T43.8Very low61.6Low135 Ų135101.4 Ų101.483%0.82861%0.605SS**THydrogen-bonded Turntrans-36.399.4164.940.10000109.9E132E132-T134 PolarHBondContact O-N 3.26Å
135G46.3Very low60.7Low79 Ų79102.9 Ų102.981%0.81464%0.637SS**THydrogen-bonded Turntrans139.43.2179.400000118.3V133V133-G135 PolarHBondContact O-N 2.92Å
136G51.7Low60.1Low71 Ų71101 Ų10173%0.73263%0.628SS**  trans71.951.4146.100000119.5
137Q52.8Low60.4Low176 Ų176100.5 Ų100.582%0.82263%0.626SS**  trans-139.1130.7152.7-68.6-167-32.500110.2
138P57.2Low61Low93 Ų9399.7 Ų99.760%0.60462%0.619SS**  trans-63.3138.5176.626.4-32.9000109.9L140P138-L140 PolarHBondContact O-N 3.48Å
139L59.8Low62.1Low121 Ų12197 Ų9763%0.63460%0.6SS**  trans-66.5123173.6-160.693.5000108.3L127L127-L139 HydrophobicContact CB-CB 4.37Å; L127-L139 HydrophobicContact CB-CD2 4.5Å; L127-L139 HydrophobicContact CD2-CD2 3.87Å; L127-L139 PolarHBondContact N-O 3.48Å
140L68.1Low63.6Low41 Ų4196.3 Ų96.322%0.21559%0.589CS.*EExtended strand (participates in β ladder)trans-111120.4-177.3-69.7179.8000109.2Y124 P126 P138 R159Y124-L140 HydrophobicContact CD1-CB 3.82Å; Y124-L140 HydrophobicContact CD1-CD1 4.44Å; Y124-L140 HydrophobicContact CG-CB 4.22Å; Y124-L140 HydrophobicContact CG-CD1 4.3Å; P126-L140 HydrophobicContact CB-CD2 4.32Å; P138-L140 PolarHBondContact O-N 3.48Å; L140-R159 VanDerWaalsContact CD1-CZ 3.43Å
141V75.5Confident65.2Low64 Ų6493 Ų9339%0.38856%0.555SS.*EExtended strand (participates in β ladder)trans-90.2124.5175175.60000109Y124 E125 L127 K143Y124-V141 WeakPolarHBondContact CA-O 3.28Å; E125-V141 HydrophobicContact CB-CB 4.5Å; E125-V141 PolarHBondContact N-O 2.99Å; E125-V141 PolarHBondContact O-N 3.37Å; L127-V141 HydrophobicContact CD1-CG2 3.87Å; V141-K143 PolarHBondContact O-N 2.98Å
142L76.9Confident67.2Low75 Ų7591.7 Ų91.739%0.39354%0.541SS..EExtended strand (participates in β ladder)trans-71.6123.9177.3179.167.4000109.8S122 Y124 E144S122-L142 VanDerWaalsContact CB-CD1 3.47Å; Y124-L142 HydrophobicContact CD1-CD1 4.4Å; Y124-L142 HydrophobicContact CE1-CB 4.32Å; Y124-L142 HydrophobicContact CE1-CD1 3.85Å; L142-E144 HydrophobicContact CD2-CG 4.02Å; L142-E144 HydrophobicContact CG-CG 4.13Å
143K71.7Confident69Low85 Ų8591.2 Ų91.237%0.3754%0.535SS..EExtended strand (participates in β ladder)trans-109105.5171.2-155.4-173.3-174.1-170.20108.9C123 V141 E146 M156C123-K143 PolarHBondContact O-N 3.47Å; V141-K143 PolarHBondContact O-N 2.98Å; K143-E146 HydrophobicContact CD-CG 4.34Å; K143-E146 WeakPolarHBondContact CE-OE1 3.33Å; K143-E146 IonicContact NZ-OE1 3.64Å; K143-E146 PolarHBondContact NZ-OE1 3.46Å; K143-E146 IonicContact NZ-OE2 3.66Å; K143-M156 HydrophobicContact CD-CE 4.05Å; K143-M156 HydrophobicContact CD-SD 4.22Å
144E68.7Low70.7Confident168 Ų16888 Ų8879%0.78552%0.523SS*.THydrogen-bonded Turntrans-76139.1-179.3-69.9173.4171.200111.1L142L142-E144 HydrophobicContact CD2-CG 4.02Å; L142-E144 HydrophobicContact CG-CG 4.13Å
145G64.9Low72.5Confident86 Ų8684.6 Ų84.689%0.88751%0.514SS*.THydrogen-bonded Turntrans944.2166.700000117.7
146E69.8Low74.3Confident56 Ų5681.6 Ų81.626%0.26248%0.479SS..  trans-96.1143.1175.7-66.4-158.1167.200113.1K143 M156 W158K143-E146 HydrophobicContact CD-CG 4.34Å; K143-E146 WeakPolarHBondContact CE-OE1 3.33Å; K143-E146 IonicContact NZ-OE1 3.64Å; K143-E146 PolarHBondContact NZ-OE1 3.46Å; K143-E146 IonicContact NZ-OE2 3.66Å; E146-M156 WeakPolarHBondContact OE2-CE 3.5Å; E146-W158 WeakPolarHBondContact O-CZ3 3.29Å
147S81.6Confident75.8Confident43 Ų4381.3 Ų81.330%0.30146%0.463SS..  trans-71.1153.7173.868.90000111.4S149 E150 C151S147-S149 PolarHBondContact O-N 3.4Å; S147-S149 VanDerWaalsContact O-N 3.08Å; S147-S149 PolarHBondContact OG-OG 3.01Å; S147-E150 WeakPolarHBondContact CB-OE2 3.19Å; S147-E150 PolarHBondContact N-OE2 2.82Å; S147-E150 VanDerWaalsContact N-OE2 3.13Å; S147-E150 PolarHBondContact O-N 3.33Å; S147-E150 WeakPolarHBondContact OG-CG 3.41Å; S147-E150 PolarHBondContact OG-N 3.48Å; S147-E150 PolarHBondContact OG-OE2 3.17Å; S147-C151 WeakPolarHBondContact O-CB 3.47Å; S147-C151 PolarHBondContact O-N 3.38Å
148K82.9Confident77.4Confident56 Ų5673.9 Ų73.924%0.24343%0.427CS..Hα-helixtrans-49.3-39.6175.3-179176175.6175.30112.4E117 N118 L152 W158E117-K148 VanDerWaalsContact OE1-CE 3.32Å; E117-K148 WeakPolarHBondContact OE1-CE 3.26Å; E117-K148 IonicContact OE1-NZ 2.8Å; E117-K148 PolarHBondContact OE1-NZ 3.48Å; E117-K148 IonicContact OE2-NZ 2.67Å; E117-K148 PolarHBondContact OE2-NZ 3.21Å; N118-K148 WeakPolarHBondContact OD1-CB 3.32Å; K148-L152 HydrophobicContact CG-CD1 3.93Å; K148-L152 HydrophobicContact CG-CG 4.46Å; K148-L152 WeakPolarHBondContact O-CB 3.37Å; K148-L152 VanDerWaalsContact O-CG 3.27Å; K148-L152 WeakPolarHBondContact O-CG 3.5Å; K148-L152 PolarHBondContact O-N 3.38Å; K148-W158 HydrophobicContact CB-CD2 3.93Å; K148-W158 HydrophobicContact CB-CE3 4.19Å; K148-W158 HydrophobicContact CB-CG 4.46Å; K148-W158 HydrophobicContact CB-CH2 4.22Å; K148-W158 HydrophobicContact CB-CZ2 3.96Å; K148-W158 HydrophobicContact CB-CZ3 4.32Å; K148-W158 HydrophobicContact CD-CG 4.47Å; K148-W158 HydrophobicContact CG-CD2 3.99Å; K148-W158 HydrophobicContact CG-CG 3.97Å
149S83.8Confident78.6Confident63 Ų6375.9 Ų75.944%0.44142%0.423SS..Hα-helixtrans-68.6-38.7-178.180.70000113.4S147 K153S147-S149 PolarHBondContact O-N 3.4Å; S147-S149 VanDerWaalsContact O-N 3.08Å; S147-S149 PolarHBondContact OG-OG 3.01Å; S149-K153 WeakPolarHBondContact O-CB 3.47Å; S149-K153 WeakPolarHBondContact O-CD 3.28Å; S149-K153 WeakPolarHBondContact O-CG 3.29Å; S149-K153 PolarHBondContact O-N 2.88Å; S149-K153 VanDerWaalsContact O-N 3.12Å
150E84.5Confident79.5Confident102 Ų10271.5 Ų71.548%0.47741%0.407SS..Hα-helixtrans-72.4-41.8177.3-71.1160.2157.500110.1S147 L152 K153 A154S147-E150 WeakPolarHBondContact CB-OE2 3.19Å; S147-E150 PolarHBondContact N-OE2 2.82Å; S147-E150 VanDerWaalsContact N-OE2 3.13Å; S147-E150 PolarHBondContact O-N 3.33Å; S147-E150 WeakPolarHBondContact OG-CG 3.41Å; S147-E150 PolarHBondContact OG-N 3.48Å; S147-E150 PolarHBondContact OG-OE2 3.17Å; E150-L152 PolarHBondContact O-N 3.11Å; E150-K153 PolarHBondContact O-N 2.96Å; E150-A154 WeakPolarHBondContact O-CB 3.41Å; E150-A154 PolarHBondContact O-N 2.79Å
151C85.9Confident80Confident0 Ų075.2 Ų75.20%042%0.419CS..Hα-helixtrans-55.9-51.8175.8-175.40000112.2C123 S147 K153 A154 G155 M156 W158C123-C151 VanDerWaalsContact CA-SG 3.51Å; C123-C151 HydrophobicContact CB-CB 3.69Å; C123-C151 WeakPolarHBondContact CB-SG 3.3Å; C123-C151 VanDerWaalsContact SG-CA 3.57Å; C123-C151 WeakPolarHBondContact SG-CB 3.5Å; C123-C151 CovalentContact SG-SG 2.03Å; C123-C151 PolarHBondContact SG-SG 3.19Å; S147-C151 WeakPolarHBondContact O-CB 3.47Å; S147-C151 PolarHBondContact O-N 3.38Å; C151-K153 PolarHBondContact O-N 2.73Å; C151-A154 PolarHBondContact O-N 2.88Å; C151-G155 PolarHBondContact O-N 2.7Å; C151-M156 WeakPolarHBondContact O-CB 3.34Å; C151-M156 PolarHBondContact O-N 2.94Å; C151-M156 VanDerWaalsContact O-N 3.09Å; C151-W158 HydrophobicContact CB-CE3 3.84Å; C151-W158 HydrophobicContact CB-CZ3 4.31Å
152L86.7Confident80.3Confident96 Ų9676.6 Ų76.650%0.50342%0.421SS..Hα-helixtrans-69.4-33.9-179.4-66.8174.8000112.4K148 E150 A154 G155 W158K148-L152 HydrophobicContact CG-CD1 3.93Å; K148-L152 HydrophobicContact CG-CG 4.46Å; K148-L152 WeakPolarHBondContact O-CB 3.37Å; K148-L152 VanDerWaalsContact O-CG 3.27Å; K148-L152 WeakPolarHBondContact O-CG 3.5Å; K148-L152 PolarHBondContact O-N 3.38Å; E150-L152 PolarHBondContact O-N 3.11Å; L152-A154 VanDerWaalsContact C-N 3.29Å; L152-A154 PolarHBondContact O-N 3.22Å; L152-G155 PolarHBondContact O-N 3.04Å; L152-G155 VanDerWaalsContact O-N 3.15Å; L152-W158 HydrophobicContact CD2-CB 4.36Å
153K87.9Confident81Confident176 Ų17674 Ų7477%0.76541%0.408SS*.Hα-helixtrans-65-33.9173.8-79.9172.4-176.6174.50112.2S149 E150 C151 G155S149-K153 WeakPolarHBondContact O-CB 3.47Å; S149-K153 WeakPolarHBondContact O-CD 3.28Å; S149-K153 WeakPolarHBondContact O-CG 3.29Å; S149-K153 PolarHBondContact O-N 2.88Å; S149-K153 VanDerWaalsContact O-N 3.12Å; E150-K153 PolarHBondContact O-N 2.96Å; C151-K153 PolarHBondContact O-N 2.73Å; K153-G155 PolarHBondContact O-N 3.37Å
154A83.7Confident81.9Confident63 Ų6370.7 Ų70.752%0.52140%0.396SS..THydrogen-bonded Turntrans-76.31.4175.500000113.4E150 C151 L152 M156E150-A154 WeakPolarHBondContact O-CB 3.41Å; E150-A154 PolarHBondContact O-N 2.79Å; C151-A154 PolarHBondContact O-N 2.88Å; L152-A154 VanDerWaalsContact C-N 3.29Å; L152-A154 PolarHBondContact O-N 3.22Å; A154-M156 HydrophobicContact CB-CE 3.42Å; A154-M156 VanDerWaalsContact CB-CE 3.42Å; A154-M156 HydrophobicContact CB-CG 4.08Å; A154-M156 HydrophobicContact CB-SD 4.41Å; A154-M156 PolarHBondContact O-N 2.93Å
155G82.1Confident83Confident62 Ų6266.3 Ų66.364%0.63938%0.375SS*.THydrogen-bonded Turntrans73.515.8-178.100000113.7C151 L152 K153C151-G155 PolarHBondContact O-N 2.7Å; L152-G155 PolarHBondContact O-N 3.04Å; L152-G155 VanDerWaalsContact O-N 3.15Å; K153-G155 PolarHBondContact O-N 3.37Å
156M84.2Confident84.3Confident16 Ų1664.9 Ų64.98%0.07935%0.347CS..PPolyproline II helixtrans-89.2166.8-179.7-62.5-172-75.400111.5C123 Y124 E125 K143 E146 C151 A154C123-M156 VanDerWaalsContact SG-CB 3.53Å; C123-M156 WeakPolarHBondContact SG-CE 3.47Å; Y124-M156 WeakPolarHBondContact O-CB 3.29Å; E125-M156 HydrophobicContact CB-SD 4.03Å; E125-M156 HydrophobicContact CG-SD 4.32Å; K143-M156 HydrophobicContact CD-CE 4.05Å; K143-M156 HydrophobicContact CD-SD 4.22Å; E146-M156 WeakPolarHBondContact OE2-CE 3.5Å; C151-M156 WeakPolarHBondContact O-CB 3.34Å; C151-M156 PolarHBondContact O-N 2.94Å; C151-M156 VanDerWaalsContact O-N 3.09Å; A154-M156 HydrophobicContact CB-CE 3.42Å; A154-M156 VanDerWaalsContact CB-CE 3.42Å; A154-M156 HydrophobicContact CB-CG 4.08Å; A154-M156 HydrophobicContact CB-SD 4.41Å; A154-M156 PolarHBondContact O-N 2.93Å
157V84.2Confident85.4Confident65 Ų6562.2 Ų62.239%0.39434%0.335SS..EExtended strand (participates in β ladder)trans-98.4122.6-177.8-179.40000109.8Y124Y124-V157 WeakPolarHBondContact CB-O 3.35Å; Y124-V157 PolarHBondContact N-O 2.88Å; Y124-V157 PolarHBondContact O-N 3.49Å
158W84.5Confident86Confident20 Ų2060.1 Ų60.18%0.07632%0.32CS..EExtended strand (participates in β ladder)trans-88.3135.5172.1-173-101.4000110.5E117 G121 C123 E146 K148 C151 L152E117-W158 WeakPolarHBondContact O-CZ2 3.32Å; E117-W158 PolarHBondContact OE1-NE1 3.01Å; G121-W158 VanDerWaalsContact C-CZ2 3.48Å; C123-W158 HydrophobicContact CB-CE3 4.09Å; C123-W158 HydrophobicContact CB-CZ3 4.17Å; E146-W158 WeakPolarHBondContact O-CZ3 3.29Å; K148-W158 HydrophobicContact CB-CD2 3.93Å; K148-W158 HydrophobicContact CB-CE3 4.19Å; K148-W158 HydrophobicContact CB-CG 4.46Å; K148-W158 HydrophobicContact CB-CH2 4.22Å; K148-W158 HydrophobicContact CB-CZ2 3.96Å; K148-W158 HydrophobicContact CB-CZ3 4.32Å; K148-W158 HydrophobicContact CD-CG 4.47Å; K148-W158 HydrophobicContact CG-CD2 3.99Å; K148-W158 HydrophobicContact CG-CG 3.97Å; C151-W158 HydrophobicContact CB-CE3 3.84Å; C151-W158 HydrophobicContact CB-CZ3 4.31Å; L152-W158 HydrophobicContact CD2-CB 4.36Å
159R82.6Confident86.6Confident136 Ų13658 Ų5851%0.51331%0.312SS..EExtended strand (participates in β ladder)trans-127123.3164.8-58.5179.3168.1174.2-3109.3G121 S122 Y124 L140G121-R159 VanDerWaalsContact CA-O 3.28Å; G121-R159 WeakPolarHBondContact CA-O 3.38Å; S122-R159 PolarHBondContact N-O 3.35Å; S122-R159 PolarHBondContact O-N 3.36Å; Y124-R159 HydrophobicContact CD2-CB 4.14Å; Y124-R159 HydrophobicContact CD2-CG 3.95Å; Y124-R159 HydrophobicContact CE2-CB 3.72Å; Y124-R159 HydrophobicContact CE2-CG 3.93Å; L140-R159 VanDerWaalsContact CD1-CZ 3.43Å
160G79.6Confident87.1Confident29 Ų2955.2 Ų55.230%0.29929%0.292SS..  trans-144.7178.8176.900000111.6E162G160-E162 VanDerWaalsContact C-N 3.35Å; G160-E162 PolarHBondContact O-N 2.87Å
161Y77.5Confident87.7Confident119 Ų11950.4 Ų50.447%0.46727%0.269SS..  trans-75.489.8173.8-168.1-99.3000109.9V163 L231Y161-V163 HydrophobicContact CD1-CG2 3.73Å; Y161-V163 HydrophobicContact CE1-CG2 3.51Å; Y161-L231 HydrophobicContact CE1-CD1 3.96Å; Y161-L231 HydrophobicContact CE2-CD1 4.13Å; Y161-L231 VanDerWaalsContact CZ-CD1 3.41Å; Y161-L231 WeakPolarHBondContact OH-CD1 3.43Å; Y161-L231 VanDerWaalsContact OH-CD2 3.32Å; Y161-L231 WeakPolarHBondContact OH-CD2 3.31Å
162E83.8Confident88.1Confident93 Ų9350.6 Ų50.644%0.43527%0.27SS..  trans-81.2122178.5-67.1-179.4-177.400109.9G160 T228G160-E162 VanDerWaalsContact C-N 3.35Å; G160-E162 PolarHBondContact O-N 2.87Å; E162-T228 WeakPolarHBondContact O-CB 3.26Å; E162-T228 WeakPolarHBondContact O-CG2 3.44Å
163V90.1Very high88.6Confident20 Ų2046 Ų4612%0.12125%0.247CC..  trans-103.7136.8170.1177.90000108.3L113 Y161 E165 L231 L235L113-V163 HydrophobicContact CD1-CB 4.12Å; L113-V163 HydrophobicContact CD1-CG1 4.08Å; L113-V163 HydrophobicContact CD2-CB 4.04Å; L113-V163 HydrophobicContact CD2-CG1 4.46Å; L113-V163 HydrophobicContact CD2-CG2 3.86Å; Y161-V163 HydrophobicContact CD1-CG2 3.73Å; Y161-V163 HydrophobicContact CE1-CG2 3.51Å; V163-E165 PolarHBondContact O-N 2.91Å; V163-L231 HydrophobicContact CG1-CB 4.17Å; V163-L231 HydrophobicContact CG2-CB 4.42Å; V163-L235 HydrophobicContact CG1-CD1 3.94Å
164S91.8Very high89Confident15 Ų1537.7 Ų37.711%0.10521%0.21CC..  trans-73.999.8-178.3-172.40000111.6D166 V167 F168 T228S164-D166 VanDerWaalsContact C-N 3.3Å; S164-D166 PolarHBondContact O-N 3.26Å; S164-V167 PolarHBondContact O-N 2.84Å; S164-V167 WeakPolarHBondContact OG-CG2 3.39Å; S164-F168 PolarHBondContact O-N 3.27Å; S164-T228 PolarHBondContact N-O 3.21Å; S164-T228 VanDerWaalsContact N-O 3.11Å
165E91.3Very high89.5Confident77 Ų7734.8 Ų34.836%0.3619%0.186SC..Hα-helixtrans-61-36.8174.4-68.8176.6-134.700112.8V163 F168 L169V163-E165 PolarHBondContact O-N 2.91Å; E165-F168 WeakPolarHBondContact O-CB 3.1Å; E165-F168 PolarHBondContact O-N 3.49Å; E165-L169 WeakPolarHBondContact O-CB 3.26Å; E165-L169 PolarHBondContact O-N 3.39Å
166D91.3Very high90.1Very high55 Ų5531.9 Ų31.929%0.29416%0.156SC..Hα-helixtrans-61.9-46.5178.9-68.9-36.9000111.2S164 L170 L219S164-D166 VanDerWaalsContact C-N 3.3Å; S164-D166 PolarHBondContact O-N 3.26Å; D166-L170 WeakPolarHBondContact O-CB 3.37Å; D166-L170 WeakPolarHBondContact O-CG 3.34Å; D166-L170 PolarHBondContact O-N 3.32Å; D166-L219 HydrophobicContact CB-CD1 4.36Å; D166-L219 HydrophobicContact CB-CD2 3.95Å
167V93.6Very high90.7Very high0 Ų031.1 Ų31.10%015%0.152CC..Hα-helixtrans-67.1-40.2177177.10000110.9L35 S164 L170 C171 L216 L219 Q229L35-V167 HydrophobicContact CD2-CG1 3.46Å; L35-V167 VanDerWaalsContact CD2-CG1 3.46Å; S164-V167 PolarHBondContact O-N 2.84Å; S164-V167 WeakPolarHBondContact OG-CG2 3.39Å; V167-L170 PolarHBondContact O-N 2.84Å; V167-C171 VanDerWaalsContact O-CB 3.3Å; V167-C171 WeakPolarHBondContact O-CB 3.29Å; V167-C171 PolarHBondContact O-N 3.44Å; V167-C171 PolarHBondContact O-SG 3.37Å; V167-L216 HydrophobicContact CB-CD1 4.49Å; V167-L216 HydrophobicContact CG1-CD1 3.92Å; V167-L216 HydrophobicContact CG2-CD1 4.28Å; V167-L219 HydrophobicContact CG2-CD2 3.32Å; V167-Q229 WeakPolarHBondContact CG1-O 3.3Å; V167-Q229 HydrophobicContact CG2-CB 4.02Å; V167-Q229 HydrophobicContact CG2-CG 3.87Å
168F94.9Very high91.1Very high0 Ų028.3 Ų28.30%014%0.136CC..Hα-helixtrans-56.7-53.1175.6169.8-137.6000111.6W106 F109 S164 E165 C171 L172 G232 L235 G236W106-F168 AromaticContact CD1-CD1 3.81Å; W106-F168 AromaticContact CD1-CE1 3.46Å; W106-F168 VanDerWaalsContact CD1-CE1 3.46Å; W106-F168 HydrophobicContact CG-CE1 4.38Å; F109-F168 HydrophobicContact CB-CE1 3.56Å; F109-F168 HydrophobicContact CB-CZ 3.75Å; F109-F168 AromaticContact CD2-CZ 3.89Å; F109-F168 HydrophobicContact CD2-CZ 3.89Å; F109-F168 HydrophobicContact CG-CE1 4.32Å; F109-F168 HydrophobicContact CG-CZ 4.02Å; S164-F168 PolarHBondContact O-N 3.27Å; E165-F168 WeakPolarHBondContact O-CB 3.1Å; E165-F168 PolarHBondContact O-N 3.49Å; F168-C171 PolarHBondContact O-N 2.6Å; F168-L172 WeakPolarHBondContact O-CB 3.43Å; F168-L172 PolarHBondContact O-N 3.45Å; F168-G232 VanDerWaalsContact CA-O 3.28Å; F168-G232 WeakPolarHBondContact CA-O 3.38Å; F168-G232 WeakPolarHBondContact CB-O 3.42Å; F168-L235 HydrophobicContact CD2-CB 3.86Å; F168-L235 HydrophobicContact CE2-CB 4.04Å; F168-L235 HydrophobicContact CG-CB 4.46Å; F168-G236 VanDerWaalsContact CD2-N 3.31Å
169L94.9Very high91.6Very high11 Ų1128.5 Ų28.56%0.05814%0.138CC..Hα-helixtrans-61-48.7179.617660000111.6W67 W106 E165 C171 L172 C173W67-L169 HydrophobicContact CB-CD1 3.99Å; W67-L169 HydrophobicContact CE3-CD1 4.1Å; W106-L169 HydrophobicContact CD2-CD1 4.16Å; W106-L169 HydrophobicContact CG-CD1 4.37Å; W106-L169 HydrophobicContact CZ2-CD1 4.31Å; W106-L169 HydrophobicContact CZ2-CD2 4.12Å; E165-L169 WeakPolarHBondContact O-CB 3.26Å; E165-L169 PolarHBondContact O-N 3.39Å; L169-C171 VanDerWaalsContact C-N 3.34Å; L169-C171 PolarHBondContact O-N 3.01Å; L169-L172 PolarHBondContact O-N 3.24Å; L169-C173 WeakPolarHBondContact O-CB 3.39Å; L169-C173 PolarHBondContact O-N 2.85Å; L169-C173 PolarHBondContact O-SG 3.02Å; L169-C173 VanDerWaalsContact O-SG 3.39Å
170L94.9Very high92.1Very high5 Ų522.2 Ų22.23%0.02611%0.114CC..Hα-helixtrans-60.1-43.5179.9-77.9174.3000112.3L63 D166 V167 C173 C174 W212 L215 L216 L219L63-L170 HydrophobicContact CD2-CD1 3.61Å; L63-L170 HydrophobicContact CD2-CD2 4.12Å; L63-L170 HydrophobicContact CD2-CG 4.04Å; D166-L170 WeakPolarHBondContact O-CB 3.37Å; D166-L170 WeakPolarHBondContact O-CG 3.34Å; D166-L170 PolarHBondContact O-N 3.32Å; V167-L170 PolarHBondContact O-N 2.84Å; L170-C173 PolarHBondContact O-N 3.49Å; L170-C174 WeakPolarHBondContact O-CB 3.21Å; L170-C174 PolarHBondContact O-N 2.8Å; L170-C174 PolarHBondContact O-SG 2.89Å; L170-W212 HydrophobicContact CD2-CB 4.19Å; L170-W212 HydrophobicContact CD2-CD2 4.05Å; L170-W212 HydrophobicContact CD2-CE3 3.43Å; L170-W212 VanDerWaalsContact CD2-CE3 3.43Å; L170-W212 HydrophobicContact CD2-CG 4.38Å; L170-W212 HydrophobicContact CD2-CZ3 4.23Å; L170-L215 HydrophobicContact CD1-CB 4.39Å; L170-L215 HydrophobicContact CD2-CB 4.36Å; L170-L216 HydrophobicContact CD1-CB 4.13Å; L170-L216 HydrophobicContact CD1-CD1 4.37Å; L170-L219 HydrophobicContact CD1-CD1 4.36Å
171C95.8Very high92.7Very high0 Ų020.9 Ų20.90%010%0.1CC..Hα-helixtrans-64.8-44.6178.5-71.70000111.4L31 V167 F168 L169 C174 L175L31-C171 HydrophobicContact CD2-CB 3.85Å; V167-C171 VanDerWaalsContact O-CB 3.3Å; V167-C171 WeakPolarHBondContact O-CB 3.29Å; V167-C171 PolarHBondContact O-N 3.44Å; V167-C171 PolarHBondContact O-SG 3.37Å; F168-C171 PolarHBondContact O-N 2.6Å; L169-C171 VanDerWaalsContact C-N 3.34Å; L169-C171 PolarHBondContact O-N 3.01Å; C171-C174 PolarHBondContact O-N 2.96Å; C171-L175 VanDerWaalsContact O-CG 3.32Å; C171-L175 WeakPolarHBondContact O-CG 3.47Å; C171-L175 PolarHBondContact O-N 3.06Å
172L95.6Very high93.3Very high4 Ų415.3 Ų15.32%0.0218%0.079CC..Hα-helixtrans-60-46.7176-177.463.9000111.4W106 F168 L169 L175 L176W106-L172 HydrophobicContact CB-CD2 3.82Å; W106-L172 HydrophobicContact CG-CD2 4.48Å; F168-L172 WeakPolarHBondContact O-CB 3.43Å; F168-L172 PolarHBondContact O-N 3.45Å; L169-L172 PolarHBondContact O-N 3.24Å; L172-L175 PolarHBondContact O-N 3.48Å; L172-L176 VanDerWaalsContact O-CB 3.23Å; L172-L176 WeakPolarHBondContact O-CB 3.19Å; L172-L176 PolarHBondContact O-N 3.47Å
173C95.6Very high93.6Very high1 Ų111.4 Ų11.41%0.0076%0.061CC..Hα-helixtrans-61-44.4176.9-76.40000112.4T70 L169 L170 L176 L177T70-C173 HydrophobicContact CG2-CB 4.5Å; T70-C173 PolarHBondContact OG1-SG 3.05Å; T70-C173 VanDerWaalsContact OG1-SG 3.38Å; L169-C173 WeakPolarHBondContact O-CB 3.39Å; L169-C173 PolarHBondContact O-N 2.85Å; L169-C173 PolarHBondContact O-SG 3.02Å; L169-C173 VanDerWaalsContact O-SG 3.39Å; L170-C173 PolarHBondContact O-N 3.49Å; C173-L176 PolarHBondContact O-N 3.04Å; C173-L177 WeakPolarHBondContact O-CB 3.38Å; C173-L177 PolarHBondContact O-N 3.36Å
174C96.3Very high93.6Very high0 Ų010.5 Ų10.50%06%0.055CC..Hα-helixtrans-60.3-49.3177.5-71.70000111.8F27 L170 C171 L177 A178 L209 W212F27-C174 HydrophobicContact CE1-CB 4.2Å; F27-C174 HydrophobicContact CZ-CB 4.21Å; L170-C174 WeakPolarHBondContact O-CB 3.21Å; L170-C174 PolarHBondContact O-N 2.8Å; L170-C174 PolarHBondContact O-SG 2.89Å; C171-C174 PolarHBondContact O-N 2.96Å; C174-L177 PolarHBondContact O-N 2.96Å; C174-A178 WeakPolarHBondContact O-CB 3.28Å; C174-A178 PolarHBondContact O-N 3.44Å; C174-L209 HydrophobicContact CB-CD1 3.99Å; C174-L209 WeakPolarHBondContact O-CD1 3.24Å; C174-W212 WeakPolarHBondContact SG-CB 3.42Å
175L95.1Very high93.5Very high2 Ų210 Ų101%0.015%0.052CC..Hα-helixtrans-65.6-41.9-178.9-68.3171000111.6F27 H28 L31 C171 L172 E179 W240F27-L175 HydrophobicContact CD1-CD2 3.86Å; F27-L175 HydrophobicContact CE1-CD2 4.07Å; H28-L175 HydrophobicContact CB-CD2 3.92Å; L31-L175 HydrophobicContact CD2-CD1 4.04Å; L31-L175 HydrophobicContact CD2-CD2 4.01Å; L31-L175 HydrophobicContact CD2-CG 3.76Å; C171-L175 VanDerWaalsContact O-CG 3.32Å; C171-L175 WeakPolarHBondContact O-CG 3.47Å; C171-L175 PolarHBondContact O-N 3.06Å; L172-L175 PolarHBondContact O-N 3.48Å; L175-E179 WeakPolarHBondContact O-CB 3.12Å; L175-E179 PolarHBondContact O-N 3.33Å; L175-W240 HydrophobicContact CB-CB 3.97Å; L175-W240 HydrophobicContact CB-CD2 4.27Å; L175-W240 HydrophobicContact CB-CG 3.68Å; L175-W240 HydrophobicContact CD1-CB 3.59Å; L175-W240 HydrophobicContact CD1-CD2 4.13Å; L175-W240 HydrophobicContact CD1-CE3 4.27Å; L175-W240 HydrophobicContact CD1-CG 3.84Å; L175-W240 HydrophobicContact CD2-CD2 4.29Å; L175-W240 HydrophobicContact CD2-CE3 4.47Å; L175-W240 HydrophobicContact CG-CB 4.38Å; L175-W240 HydrophobicContact CG-CD2 4.47Å; L175-W240 HydrophobicContact CG-CG 4.22Å
176L95Very high93.2Very high1 Ų17.8 Ų7.81%0.0055%0.045CC..Hα-helixtrans-62.1-48.3175.3-176.3149.7000111.2W67 T70 V74 L99 A102 L172 C173 A178 E179 E180W67-L176 HydrophobicContact CH2-CD1 4.11Å; W67-L176 HydrophobicContact CZ3-CD1 4.29Å; T70-L176 HydrophobicContact CG2-CD2 3.92Å; V74-L176 HydrophobicContact CB-CD2 4.45Å; V74-L176 HydrophobicContact CG1-CD2 4.01Å; V74-L176 HydrophobicContact CG2-CD2 4.41Å; L99-L176 HydrophobicContact CD1-CD2 4.49Å; L99-L176 HydrophobicContact CG-CD2 4.45Å; A102-L176 HydrophobicContact CB-CD1 3.62Å; L172-L176 VanDerWaalsContact O-CB 3.23Å; L172-L176 WeakPolarHBondContact O-CB 3.19Å; L172-L176 PolarHBondContact O-N 3.47Å; C173-L176 PolarHBondContact O-N 3.04Å; L176-A178 PolarHBondContact O-N 2.97Å; L176-E179 PolarHBondContact O-N 2.86Å; L176-E180 HydrophobicContact CD2-CG 4.17Å; L176-E180 HydrophobicContact CG-CG 4.39Å; L176-E180 WeakPolarHBondContact O-CB 3.23Å; L176-E180 WeakPolarHBondContact O-CG 3.36Å; L176-E180 PolarHBondContact O-N 3.48Å
177L95.5Very high93Very high0 Ų05.8 Ų5.80%03%0.033CC..Hα-helixtrans-58-51177.6-114.985.3000111.2T70 V74 C173 C174 E179 E180 T181 C205 L208 L209T70-L177 HydrophobicContact CG2-CD1 3.55Å; V74-L177 HydrophobicContact CG2-CD1 3.25Å; V74-L177 HydrophobicContact CG2-CG 3.58Å; C173-L177 WeakPolarHBondContact O-CB 3.38Å; C173-L177 PolarHBondContact O-N 3.36Å; C174-L177 PolarHBondContact O-N 2.96Å; L177-E179 VanDerWaalsContact C-N 3.29Å; L177-E179 PolarHBondContact O-N 3.41Å; L177-E180 PolarHBondContact O-N 3.43Å; L177-T181 VanDerWaalsContact O-CB 3.29Å; L177-T181 WeakPolarHBondContact O-CB 3.38Å; L177-T181 VanDerWaalsContact O-CG2 3.26Å; L177-T181 WeakPolarHBondContact O-CG2 3.23Å; L177-T181 PolarHBondContact O-N 2.92Å; L177-T181 PolarHBondContact O-OG1 3.42Å; L177-C205 HydrophobicContact CD2-CB 4.41Å; L177-C205 WeakPolarHBondContact CD2-O 3.48Å; L177-L208 HydrophobicContact CD1-CD2 4.19Å; L177-L208 HydrophobicContact CD2-CB 4.09Å; L177-L208 HydrophobicContact CD2-CD2 4.24Å; L177-L208 HydrophobicContact CD2-CG 4.41Å; L177-L209 HydrophobicContact CB-CD1 4.09Å; L177-L209 HydrophobicContact CD2-CB 3.62Å
178A94.5Very high92.7Very high7 Ų77.4 Ų7.46%0.0584%0.042CC..Hα-helixtrans-59-42.6-177.500000111.3F23 F27 C174 L176 T181 S182 L209F23-A178 HydrophobicContact CE1-CB 4.21Å; F27-A178 HydrophobicContact CD1-CB 3.51Å; F27-A178 HydrophobicContact CE1-CB 3.55Å; F27-A178 HydrophobicContact CG-CB 4.11Å; F27-A178 HydrophobicContact CZ-CB 4.16Å; C174-A178 WeakPolarHBondContact O-CB 3.28Å; C174-A178 PolarHBondContact O-N 3.44Å; L176-A178 PolarHBondContact O-N 2.97Å; A178-T181 PolarHBondContact O-OG1 3.49Å; A178-S182 VanDerWaalsContact O-CB 3.23Å; A178-S182 WeakPolarHBondContact O-CB 3.29Å; A178-S182 PolarHBondContact O-N 3.4Å; A178-L209 HydrophobicContact CB-CD2 4.43Å
179E93.2Very high92.3Very high24 Ų2416.1 Ų16.111%0.1128%0.075CC..Hα-helixtrans-71.1-47-178.4-164.767.1-160.600112.1L175 L176 L177 T181 S182 Y244 P260L175-E179 WeakPolarHBondContact O-CB 3.12Å; L175-E179 PolarHBondContact O-N 3.33Å; L176-E179 PolarHBondContact O-N 2.86Å; L177-E179 VanDerWaalsContact C-N 3.29Å; L177-E179 PolarHBondContact O-N 3.41Å; E179-T181 PolarHBondContact O-N 3.19Å; E179-S182 PolarHBondContact O-N 3.04Å; E179-S182 PolarHBondContact O-OG 3.24Å; E179-Y244 HydrophobicContact CB-CD1 4.21Å; E179-Y244 HydrophobicContact CB-CE1 4.12Å; E179-Y244 HydrophobicContact CG-CD1 3.39Å; E179-Y244 HydrophobicContact CG-CE1 3.68Å; E179-Y244 HydrophobicContact CG-CG 3.97Å; E179-P260 HydrophobicContact CG-CG 4.14Å
180E93Very high91.7Very high3 Ų318.7 Ų18.71%0.0149%0.088CC..Hα-helixtrans-66.1-38.1-179.9-67.1-63.7153.300112.4V74 V78 R98 L176 L177 Y244V74-E180 HydrophobicContact CG1-CB 3.74Å; V74-E180 HydrophobicContact CG1-CG 3.91Å; V78-E180 HydrophobicContact CG2-CB 4.3Å; V78-E180 HydrophobicContact CG2-CG 4.47Å; V78-E180 WeakPolarHBondContact CG2-OE2 3.32Å; R98-E180 IonicContact CZ-OE1 3.48Å; R98-E180 IonicContact CZ-OE2 3.39Å; R98-E180 IonicContact NE-OE1 2.79Å; R98-E180 PolarHBondContact NE-OE1 3.08Å; R98-E180 IonicContact NE-OE2 3.42Å; R98-E180 PolarHBondContact NE-OE2 3.45Å; R98-E180 IonicContact NH2-OE1 3.58Å; R98-E180 IonicContact NH2-OE2 2.67Å; R98-E180 PolarHBondContact NH2-OE2 2.83Å; L176-E180 HydrophobicContact CD2-CG 4.17Å; L176-E180 HydrophobicContact CG-CG 4.39Å; L176-E180 WeakPolarHBondContact O-CB 3.23Å; L176-E180 WeakPolarHBondContact O-CG 3.36Å; L176-E180 PolarHBondContact O-N 3.48Å; L177-E180 PolarHBondContact O-N 3.43Å; E180-Y244 WeakPolarHBondContact OE1-CE1 3.06Å; E180-Y244 PolarHBondContact OE1-OH 3.32Å
181T92.7Very high91Very high2 Ų220.9 Ų20.91%0.01211%0.112CC..Hα-helixtrans-80.2-23.4-179.658.80000113.3L18 F77 L177 A178 E179 V183 F184 C205L18-T181 VanDerWaalsContact CD2-OG1 3.28Å; L18-T181 WeakPolarHBondContact CD2-OG1 3.38Å; F77-T181 HydrophobicContact CE1-CG2 4.47Å; L177-T181 VanDerWaalsContact O-CB 3.29Å; L177-T181 WeakPolarHBondContact O-CB 3.38Å; L177-T181 VanDerWaalsContact O-CG2 3.26Å; L177-T181 WeakPolarHBondContact O-CG2 3.23Å; L177-T181 PolarHBondContact O-N 2.92Å; L177-T181 PolarHBondContact O-OG1 3.42Å; A178-T181 PolarHBondContact O-OG1 3.49Å; E179-T181 PolarHBondContact O-N 3.19Å; T181-V183 PolarHBondContact O-N 2.92Å; T181-F184 WeakPolarHBondContact O-CB 3.38Å; T181-F184 PolarHBondContact O-N 2.96Å; T181-F184 VanDerWaalsContact O-N 3.11Å; T181-C205 HydrophobicContact CG2-CB 3.66Å
182S91.1Very high90.3Very high2 Ų221.4 Ų21.41%0.01412%0.118CC..THydrogen-bonded Turntrans-60.5-19.6179.272.60000114.1L18 A178 E179 F184 P186L18-S182 WeakPolarHBondContact O-CB 3.44Å; A178-S182 VanDerWaalsContact O-CB 3.23Å; A178-S182 WeakPolarHBondContact O-CB 3.29Å; A178-S182 PolarHBondContact O-N 3.4Å; E179-S182 PolarHBondContact O-N 3.04Å; E179-S182 PolarHBondContact O-OG 3.24Å; S182-F184 VanDerWaalsContact C-N 3.26Å; S182-F184 PolarHBondContact O-N 2.67Å; S182-P186 WeakPolarHBondContact O-CD 3.29Å
183V90.2Very high89.6Confident11 Ų1125.7 Ų25.77%0.06714%0.144CC..THydrogen-bonded Turntrans-69.6-25.2179.1-175.90000112.2L81 T181 G185 P186 Y187 P260L81-V183 HydrophobicContact CD2-CG1 4.37Å; T181-V183 PolarHBondContact O-N 2.92Å; V183-G185 PolarHBondContact O-N 2.94Å; V183-P186 WeakPolarHBondContact O-CD 3.45Å; V183-Y187 WeakPolarHBondContact O-CB 3.49Å; V183-Y187 PolarHBondContact O-N 3.26Å; V183-Y187 VanDerWaalsContact O-N 3.12Å; V183-P260 HydrophobicContact CG2-CB 3.36Å
184F90.3Very high89Confident0 Ų026.7 Ų26.70%015%0.15CC..Hα-helixtrans-66.7-38.1-173.9-164.4-125.3000113.1A15 F77 L81 T181 S182 Y187 L188 S194 L198 R199 F202A15-F184 HydrophobicContact CB-CD1 3.74Å; A15-F184 HydrophobicContact CB-CE1 4.33Å; F77-F184 HydrophobicContact CE2-CD2 4.11Å; F77-F184 HydrophobicContact CE2-CG 4.33Å; F77-F184 HydrophobicContact CZ-CB 3.97Å; F77-F184 HydrophobicContact CZ-CD2 4.14Å; F77-F184 HydrophobicContact CZ-CG 4.2Å; L81-F184 HydrophobicContact CD1-CD2 4.39Å; T181-F184 WeakPolarHBondContact O-CB 3.38Å; T181-F184 PolarHBondContact O-N 2.96Å; T181-F184 VanDerWaalsContact O-N 3.11Å; S182-F184 VanDerWaalsContact C-N 3.26Å; S182-F184 PolarHBondContact O-N 2.67Å; F184-Y187 AromaticContact CD2-CD1 3.96Å; F184-Y187 HydrophobicContact CD2-CD1 3.96Å; F184-Y187 AromaticContact CE2-CD1 3.98Å; F184-Y187 HydrophobicContact CE2-CD1 3.98Å; F184-Y187 HydrophobicContact CE2-CE1 4.3Å; F184-Y187 WeakPolarHBondContact O-CB 3.33Å; F184-Y187 PolarHBondContact O-N 3.2Å; F184-L188 HydrophobicContact CD1-CD1 3.98Å; F184-L188 HydrophobicContact CD1-CG 4.41Å; F184-L188 HydrophobicContact CE1-CD1 3.61Å; F184-L188 HydrophobicContact CE1-CD2 4.44Å; F184-L188 HydrophobicContact CE1-CG 4.14Å; F184-L188 HydrophobicContact CE2-CD2 4.22Å; F184-L188 HydrophobicContact CE2-CG 4.31Å; F184-L188 HydrophobicContact CZ-CD1 3.98Å; F184-L188 HydrophobicContact CZ-CD2 3.96Å; F184-L188 HydrophobicContact CZ-CG 4.08Å; F184-L188 WeakPolarHBondContact O-CG 3.37Å; F184-L188 PolarHBondContact O-N 3.43Å; F184-S194 WeakPolarHBondContact CZ-OG 3.28Å; F184-L198 HydrophobicContact CE2-CD2 3.81Å; F184-L198 HydrophobicContact CE2-CG 3.95Å; F184-L198 HydrophobicContact CZ-CG 4.44Å; F184-R199 HydrophobicContact CZ-CG 4.39Å; F184-F202 HydrophobicContact CB-CD2 3.84Å; F184-F202 HydrophobicContact CB-CE2 3.74Å; F184-F202 HydrophobicContact CB-CZ 4.48Å; F184-F202 HydrophobicContact CD1-CB 4.16Å; F184-F202 AromaticContact CD1-CD1 3.68Å; F184-F202 HydrophobicContact CD1-CD1 3.68Å; F184-F202 AromaticContact CD1-CD2 3.51Å; F184-F202 HydrophobicContact CD1-CD2 3.51Å; F184-F202 AromaticContact CD1-CE1 3.88Å; F184-F202 HydrophobicContact CD1-CE1 3.88Å; F184-F202 AromaticContact CD1-CE2 3.73Å; F184-F202 HydrophobicContact CD1-CE2 3.73Å; F184-F202 AromaticContact CD1-CG 3.49Å; F184-F202 HydrophobicContact CD1-CG 3.49Å; F184-F202 VanDerWaalsContact CD1-CG 3.49Å; F184-F202 AromaticContact CD1-CZ 3.92Å; F184-F202 HydrophobicContact CD1-CZ 3.92Å; F184-F202 HydrophobicContact CE1-CB 4.09Å; F184-F202 AromaticContact CE1-CD1 3.82Å; F184-F202 HydrophobicContact CE1-CD1 3.82Å; F184-F202 HydrophobicContact CE1-CD2 4.27Å; F184-F202 HydrophobicContact CE1-CE1 4.33Å; F184-F202 AromaticContact CE1-CG 3.79Å; F184-F202 HydrophobicContact CE1-CG 3.79Å; F184-F202 AromaticContact CG-CD2 3.84Å; F184-F202 HydrophobicContact CG-CD2 3.84Å; F184-F202 HydrophobicContact CG-CE2 4.1Å; F184-F202 HydrophobicContact CG-CG 4.18Å
185G88.1Confident88.6Confident4 Ų431 Ų314%0.04117%0.174CC..Hα-helixtrans-59-56.7177.900000113.2A15 V183 Y187 L188 R189A15-G185 VanDerWaalsContact O-CA 3.29Å; A15-G185 WeakPolarHBondContact O-CA 3.22Å; V183-G185 PolarHBondContact O-N 2.94Å; G185-Y187 VanDerWaalsContact C-N 3.27Å; G185-Y187 PolarHBondContact O-N 3.15Å; G185-L188 PolarHBondContact O-N 3.4Å; G185-R189 WeakPolarHBondContact O-CG 3.35Å; G185-R189 PolarHBondContact O-N 3.45Å; G185-R189 VanDerWaalsContact O-N 3.13Å
186P86.7Confident88.2Confident31 Ų3133.1 Ų33.120%0.20119%0.192CC..Hα-helixtrans-57.1-37.6172.7-27.235.6000113.6S182 V183 R189 L190 L265S182-P186 WeakPolarHBondContact O-CD 3.29Å; V183-P186 WeakPolarHBondContact O-CD 3.45Å; P186-R189 PolarHBondContact O-N 3.16Å; P186-L190 WeakPolarHBondContact O-CG 3.37Å; P186-L190 PolarHBondContact O-N 2.96Å; P186-L190 VanDerWaalsContact O-N 3.16Å; P186-L265 HydrophobicContact CB-CD1 3.98Å; P186-L265 HydrophobicContact CB-CD2 3.98Å
187Y86.6Confident88Confident14 Ų1437 Ų376%0.05522%0.216CC..Hα-helixtrans-60.6-45.7177171-103.5000112.6L81 I85 V183 F184 G185 L190 G192 V193 L198L81-Y187 HydrophobicContact CD1-CD1 3.86Å; L81-Y187 HydrophobicContact CD1-CD2 4.27Å; L81-Y187 HydrophobicContact CD1-CE1 3.87Å; L81-Y187 HydrophobicContact CD1-CE2 4.29Å; L81-Y187 HydrophobicContact CD1-CG 4.04Å; I85-Y187 HydrophobicContact CD1-CD2 3.78Å; I85-Y187 HydrophobicContact CD1-CE2 3.5Å; I85-Y187 HydrophobicContact CG1-CD2 4.38Å; I85-Y187 HydrophobicContact CG1-CE2 3.61Å; V183-Y187 WeakPolarHBondContact O-CB 3.49Å; V183-Y187 PolarHBondContact O-N 3.26Å; V183-Y187 VanDerWaalsContact O-N 3.12Å; F184-Y187 AromaticContact CD2-CD1 3.96Å; F184-Y187 HydrophobicContact CD2-CD1 3.96Å; F184-Y187 AromaticContact CE2-CD1 3.98Å; F184-Y187 HydrophobicContact CE2-CD1 3.98Å; F184-Y187 HydrophobicContact CE2-CE1 4.3Å; F184-Y187 WeakPolarHBondContact O-CB 3.33Å; F184-Y187 PolarHBondContact O-N 3.2Å; G185-Y187 VanDerWaalsContact C-N 3.27Å; G185-Y187 PolarHBondContact O-N 3.15Å; Y187-L190 PolarHBondContact O-N 3.09Å; Y187-G192 VanDerWaalsContact CZ-CA 3.44Å; Y187-G192 PolarHBondContact O-N 3.08Å; Y187-G192 VanDerWaalsContact O-N 3.11Å; Y187-V193 PolarHBondContact OH-N 3.18Å; Y187-V193 PolarHBondContact OH-O 3.06Å; Y187-L198 HydrophobicContact CE1-CD2 4.36Å
188L87.7Confident87.8Confident33 Ų3337.3 Ų37.317%0.17322%0.218CC..Hα-helixtrans-64.9-39176-69.3178.6000112.2A15 F184 G185 L190 G191 S194A15-L188 HydrophobicContact CB-CD1 3.81Å; F184-L188 HydrophobicContact CD1-CD1 3.98Å; F184-L188 HydrophobicContact CD1-CG 4.41Å; F184-L188 HydrophobicContact CE1-CD1 3.61Å; F184-L188 HydrophobicContact CE1-CD2 4.44Å; F184-L188 HydrophobicContact CE1-CG 4.14Å; F184-L188 HydrophobicContact CE2-CD2 4.22Å; F184-L188 HydrophobicContact CE2-CG 4.31Å; F184-L188 HydrophobicContact CZ-CD1 3.98Å; F184-L188 HydrophobicContact CZ-CD2 3.96Å; F184-L188 HydrophobicContact CZ-CG 4.08Å; F184-L188 WeakPolarHBondContact O-CG 3.37Å; F184-L188 PolarHBondContact O-N 3.43Å; G185-L188 PolarHBondContact O-N 3.4Å; L188-L190 PolarHBondContact O-N 3.12Å; L188-G191 PolarHBondContact O-N 2.97Å; L188-G191 VanDerWaalsContact O-N 3.08Å; L188-S194 VanDerWaalsContact CD2-CB 3.47Å
189R84.9Confident87.8Confident184 Ų18438.4 Ų38.469%0.69422%0.221SC*.Hα-helixtrans-63.3-27.5177.6-69.9-177-169.6-161.33.5113.2G185 P186 G191G185-R189 WeakPolarHBondContact O-CG 3.35Å; G185-R189 PolarHBondContact O-N 3.45Å; G185-R189 VanDerWaalsContact O-N 3.13Å; P186-R189 PolarHBondContact O-N 3.16Å; R189-G191 VanDerWaalsContact C-N 3.25Å; R189-G191 PolarHBondContact O-N 2.87Å
190L83.8Confident87.8Confident64 Ų6441.3 Ų41.334%0.33524%0.236SC..THydrogen-bonded Turntrans-85.711.8176.3-68.7168.2000113.2P186 Y187 L188 L265 K268P186-L190 WeakPolarHBondContact O-CG 3.37Å; P186-L190 PolarHBondContact O-N 2.96Å; P186-L190 VanDerWaalsContact O-N 3.16Å; Y187-L190 PolarHBondContact O-N 3.09Å; L188-L190 PolarHBondContact O-N 3.12Å; L190-L265 HydrophobicContact CD1-CB 4.03Å; L190-L265 HydrophobicContact CD1-CD2 3.47Å; L190-L265 VanDerWaalsContact CD1-CD2 3.47Å; L190-L265 HydrophobicContact CD1-CG 4.31Å; L190-K268 HydrophobicContact CB-CG 4.01Å; L190-K268 WeakPolarHBondContact O-CE 3.36Å
191G79.9Confident87.9Confident51 Ų5142 Ų4253%0.52624%0.24SC..THydrogen-bonded Turntrans69.835-177.900000113L188 R189 K268L188-G191 PolarHBondContact O-N 2.97Å; L188-G191 VanDerWaalsContact O-N 3.08Å; R189-G191 VanDerWaalsContact C-N 3.25Å; R189-G191 PolarHBondContact O-N 2.87Å; G191-K268 VanDerWaalsContact O-CE 3.31Å; G191-K268 WeakPolarHBondContact O-CE 3.49Å; G191-K268 PolarHBondContact O-NZ 3.32Å
192G80Confident88Confident12 Ų1242 Ų4212%0.12424%0.24CC..  trans-64.2137.8171.200000111.8Y187 S194Y187-G192 VanDerWaalsContact CZ-CA 3.44Å; Y187-G192 PolarHBondContact O-N 3.08Å; Y187-G192 VanDerWaalsContact O-N 3.11Å; G192-S194 PolarHBondContact O-N 2.82Å
193V81.8Confident88.2Confident94 Ų9443.1 Ų43.157%0.5725%0.246SC*.  trans-72.1119.7178.1-146.80000108.6Y187Y187-V193 PolarHBondContact OH-N 3.18Å; Y187-V193 PolarHBondContact OH-O 3.06Å
194S83.6Confident88.5Confident21 Ų2145.9 Ų45.915%0.14726%0.259CS..  trans-121.788-172.8-1730000110.9F184 L188 G192 R199F184-S194 WeakPolarHBondContact CZ-OG 3.28Å; L188-S194 VanDerWaalsContact CD2-CB 3.47Å; G192-S194 PolarHBondContact O-N 2.82Å; S194-R199 PolarHBondContact O-NE 3.45Å; S194-R199 WeakPolarHBondContact OG-CG 3.16Å; S194-R199 PolarHBondContact OG-NE 3.17Å
195D86.1Confident88.8Confident91 Ų9145.9 Ų45.949%0.48726%0.259SS..  trans-65.9153.4176.6-57.5-41.6000111.2P197 L198 R199D195-P197 VanDerWaalsContact C-CD 3.49Å; D195-P197 HydrophobicContact CB-CG 4.06Å; D195-L198 PolarHBondContact O-N 3.47Å; D195-L198 VanDerWaalsContact O-N 3.12Å; D195-R199 PolarHBondContact O-N 2.87Å; D195-R199 VanDerWaalsContact O-N 3.15Å
196A88.3Confident89.2Confident47 Ų4747.5 Ų47.539%0.38827%0.268SS..Hα-helixtrans-48-46.6176.300000114.6L7 L198 R199 I200L7-A196 HydrophobicContact CD2-CB 4.49Å; A196-L198 PolarHBondContact O-N 3.39Å; A196-R199 PolarHBondContact O-N 3.46Å; A196-I200 VanDerWaalsContact O-CG1 3.28Å; A196-I200 WeakPolarHBondContact O-CG1 3.36Å; A196-I200 PolarHBondContact O-N 2.96Å
197P90.9Very high89.6Confident81 Ų8151.9 Ų51.953%0.52629%0.29SS..Hα-helixtrans-61.2-39.3178.521.9-34.9000113.5D195 R199 I200 L201D195-P197 VanDerWaalsContact C-CD 3.49Å; D195-P197 HydrophobicContact CB-CG 4.06Å; P197-R199 VanDerWaalsContact C-N 3.35Å; P197-I200 PolarHBondContact O-N 3.35Å; P197-L201 VanDerWaalsContact O-CB 3.28Å; P197-L201 WeakPolarHBondContact O-CB 3.16Å; P197-L201 PolarHBondContact O-N 2.94Å
198L91.5Very high90Very high7 Ų751.8 Ų51.84%0.03729%0.29CS..Hα-helixtrans-65.8-40.8178.3-178.363.1000111.1F77 L80 L81 F184 Y187 D195 A196 L201 F202F77-L198 HydrophobicContact CD2-CD1 3.94Å; F77-L198 HydrophobicContact CE2-CD1 3.91Å; L80-L198 HydrophobicContact CB-CD1 4.11Å; L81-L198 HydrophobicContact CB-CD1 4.18Å; L81-L198 HydrophobicContact CD1-CD2 4.14Å; F184-L198 HydrophobicContact CE2-CD2 3.81Å; F184-L198 HydrophobicContact CE2-CG 3.95Å; F184-L198 HydrophobicContact CZ-CG 4.44Å; Y187-L198 HydrophobicContact CE1-CD2 4.36Å; D195-L198 PolarHBondContact O-N 3.47Å; D195-L198 VanDerWaalsContact O-N 3.12Å; A196-L198 PolarHBondContact O-N 3.39Å; L198-L201 PolarHBondContact O-N 3.46Å; L198-F202 WeakPolarHBondContact O-CB 3.39Å; L198-F202 PolarHBondContact O-N 3.42Å
199R92.8Very high90.4Very high30 Ų3050.6 Ų50.611%0.11328%0.284CS..Hα-helixtrans-64.1-46.5176.1-73.5-174.8-179.6-921.6112.4L7 T11 D12 F184 S194 D195 A196 P197 L201 F202 L203L7-R199 HydrophobicContact CD1-CB 4.37Å; L7-R199 HydrophobicContact CD2-CB 4.42Å; L7-R199 HydrophobicContact CG-CB 4.33Å; T11-R199 HydrophobicContact CG2-CB 3.74Å; T11-R199 HydrophobicContact CG2-CG 4.25Å; T11-R199 PolarHBondContact OG1-NH1 3.39Å; D12-R199 IonicContact OD1-CZ 2.73Å; D12-R199 IonicContact OD1-NH1 2.7Å; D12-R199 PolarHBondContact OD1-NH1 3.32Å; D12-R199 IonicContact OD1-NH2 3.67Å; F184-R199 HydrophobicContact CZ-CG 4.39Å; S194-R199 PolarHBondContact O-NE 3.45Å; S194-R199 WeakPolarHBondContact OG-CG 3.16Å; S194-R199 PolarHBondContact OG-NE 3.17Å; D195-R199 PolarHBondContact O-N 2.87Å; D195-R199 VanDerWaalsContact O-N 3.15Å; A196-R199 PolarHBondContact O-N 3.46Å; P197-R199 VanDerWaalsContact C-N 3.35Å; R199-L201 VanDerWaalsContact C-N 3.31Å; R199-L201 PolarHBondContact O-N 2.92Å; R199-F202 PolarHBondContact O-N 2.95Å; R199-L203 PolarHBondContact O-N 2.95Å
200I93.9Very high90.9Very high86 Ų8643.8 Ų43.844%0.44127%0.271SS..Hα-helixtrans-60.2-45.7177.1-69.2164.9000110L7 A196 P197 F202 L203 L204L7-I200 HydrophobicContact CD1-CG1 4.07Å; L7-I200 HydrophobicContact CD2-CD1 4.48Å; L7-I200 HydrophobicContact CD2-CG1 4.01Å; A196-I200 VanDerWaalsContact O-CG1 3.28Å; A196-I200 WeakPolarHBondContact O-CG1 3.36Å; A196-I200 PolarHBondContact O-N 2.96Å; P197-I200 PolarHBondContact O-N 3.35Å; I200-F202 PolarHBondContact O-N 3.5Å; I200-L203 WeakPolarHBondContact O-CB 3.38Å; I200-L203 PolarHBondContact O-N 3.46Å; I200-L203 VanDerWaalsContact O-N 3.17Å; I200-L204 HydrophobicContact CG2-CD1 4.12Å; I200-L204 HydrophobicContact CG2-CG 4.5Å; I200-L204 WeakPolarHBondContact O-CG 3.39Å; I200-L204 PolarHBondContact O-N 3.06Å
201L94.9Very high91.4Very high18 Ų1843.5 Ų43.59%0.09427%0.27CS..Hα-helixtrans-66.8-38.4-178.9-17158.7000112.6F73 F77 L80 P197 L198 R199 L203 L204 C205F73-L201 HydrophobicContact CD1-CD1 4.07Å; F77-L201 VanDerWaalsContact CA-CD2 3.47Å; F77-L201 HydrophobicContact CB-CD2 4.05Å; F77-L201 HydrophobicContact CB-CG 4.01Å; F77-L201 VanDerWaalsContact N-CD2 3.29Å; L80-L201 HydrophobicContact CD1-CD2 3.77Å; P197-L201 VanDerWaalsContact O-CB 3.28Å; P197-L201 WeakPolarHBondContact O-CB 3.16Å; P197-L201 PolarHBondContact O-N 2.94Å; L198-L201 PolarHBondContact O-N 3.46Å; R199-L201 VanDerWaalsContact C-N 3.31Å; R199-L201 PolarHBondContact O-N 2.92Å; L201-L203 VanDerWaalsContact C-N 3.34Å; L201-L203 PolarHBondContact O-N 2.93Å; L201-L204 HydrophobicContact CD1-CD1 4.4Å; L201-L204 PolarHBondContact O-N 3.49Å; L201-C205 PolarHBondContact O-N 2.96Å; L201-C205 PolarHBondContact O-SG 3.26Å; L201-C205 VanDerWaalsContact O-SG 3.37Å
202F95.2Very high92.1Very high0 Ų041.1 Ų41.10%024%0.244CC..Hα-helixtrans-58.5-44.8170.5174-102.1000111.7A14 A15 L18 F77 F184 L198 R199 I200 L204 C205 V206A14-F202 HydrophobicContact CB-CE1 3.8Å; A14-F202 HydrophobicContact CB-CZ 4.37Å; A15-F202 HydrophobicContact CB-CE1 4.05Å; A15-F202 HydrophobicContact CB-CZ 4Å; L18-F202 HydrophobicContact CD2-CE2 4.21Å; L18-F202 HydrophobicContact CD2-CZ 4.11Å; F77-F202 HydrophobicContact CD2-CB 4.21Å; F77-F202 HydrophobicContact CE2-CB 3.92Å; F77-F202 HydrophobicContact CE2-CD2 4.01Å; F77-F202 HydrophobicContact CE2-CG 4.44Å; F77-F202 HydrophobicContact CZ-CD2 4.14Å; F184-F202 HydrophobicContact CB-CD2 3.84Å; F184-F202 HydrophobicContact CB-CE2 3.74Å; F184-F202 HydrophobicContact CB-CZ 4.48Å; F184-F202 HydrophobicContact CD1-CB 4.16Å; F184-F202 AromaticContact CD1-CD1 3.68Å; F184-F202 HydrophobicContact CD1-CD1 3.68Å; F184-F202 AromaticContact CD1-CD2 3.51Å; F184-F202 HydrophobicContact CD1-CD2 3.51Å; F184-F202 AromaticContact CD1-CE1 3.88Å; F184-F202 HydrophobicContact CD1-CE1 3.88Å; F184-F202 AromaticContact CD1-CE2 3.73Å; F184-F202 HydrophobicContact CD1-CE2 3.73Å; F184-F202 AromaticContact CD1-CG 3.49Å; F184-F202 HydrophobicContact CD1-CG 3.49Å; F184-F202 VanDerWaalsContact CD1-CG 3.49Å; F184-F202 AromaticContact CD1-CZ 3.92Å; F184-F202 HydrophobicContact CD1-CZ 3.92Å; F184-F202 HydrophobicContact CE1-CB 4.09Å; F184-F202 AromaticContact CE1-CD1 3.82Å; F184-F202 HydrophobicContact CE1-CD1 3.82Å; F184-F202 HydrophobicContact CE1-CD2 4.27Å; F184-F202 HydrophobicContact CE1-CE1 4.33Å; F184-F202 AromaticContact CE1-CG 3.79Å; F184-F202 HydrophobicContact CE1-CG 3.79Å; F184-F202 AromaticContact CG-CD2 3.84Å; F184-F202 HydrophobicContact CG-CD2 3.84Å; F184-F202 HydrophobicContact CG-CE2 4.1Å; F184-F202 HydrophobicContact CG-CG 4.18Å; L198-F202 WeakPolarHBondContact O-CB 3.39Å; L198-F202 PolarHBondContact O-N 3.42Å; R199-F202 PolarHBondContact O-N 2.95Å; I200-F202 PolarHBondContact O-N 3.5Å; F202-L204 PolarHBondContact O-N 2.98Å; F202-C205 WeakPolarHBondContact O-CB 3.2Å; F202-C205 PolarHBondContact O-N 3.46Å; F202-V206 HydrophobicContact CD1-CG2 4.34Å; F202-V206 HydrophobicContact CE1-CG2 3.89Å; F202-V206 HydrophobicContact CE2-CG2 4.25Å; F202-V206 HydrophobicContact CZ-CG2 3.81Å; F202-V206 WeakPolarHBondContact O-CG2 3.42Å; F202-V206 PolarHBondContact O-N 3.13Å
203L95.4Very high92.8Very high27 Ų2742.8 Ų42.814%0.14125%0.25CS..Hα-helixtrans-63.4-40.3175.6-70.9-178.5000112.6L7 L10 T11 R199 I200 L201 C205 V206 L207L7-L203 HydrophobicContact CD1-CD1 3.54Å; L10-L203 HydrophobicContact CD2-CD1 3.88Å; L10-L203 HydrophobicContact CD2-CD2 4.09Å; L10-L203 HydrophobicContact CG-CD1 4.39Å; L10-L203 HydrophobicContact CG-CD2 3.94Å; T11-L203 HydrophobicContact CG2-CD1 3.67Å; T11-L203 HydrophobicContact CG2-CD2 3.75Å; T11-L203 HydrophobicContact CG2-CG 3.45Å; T11-L203 VanDerWaalsContact CG2-CG 3.45Å; R199-L203 PolarHBondContact O-N 2.95Å; I200-L203 WeakPolarHBondContact O-CB 3.38Å; I200-L203 PolarHBondContact O-N 3.46Å; I200-L203 VanDerWaalsContact O-N 3.17Å; L201-L203 VanDerWaalsContact C-N 3.34Å; L201-L203 PolarHBondContact O-N 2.93Å; L203-C205 VanDerWaalsContact C-N 3.27Å; L203-C205 PolarHBondContact O-N 3.08Å; L203-V206 PolarHBondContact O-N 3.11Å; L203-V206 VanDerWaalsContact O-N 3.1Å; L203-L207 WeakPolarHBondContact O-CG 3.49Å; L203-L207 PolarHBondContact O-N 3.44Å
204L96.2Very high93.3Very high68 Ų6842.8 Ų42.836%0.35624%0.243SC..Hα-helixtrans-59.5-40.6174.8-70.3169.9000111F73 I200 L201 F202 L207 L208F73-L204 HydrophobicContact CD1-CB 4Å; F73-L204 HydrophobicContact CD1-CD1 4.24Å; F73-L204 HydrophobicContact CE1-CB 4.18Å; F73-L204 HydrophobicContact CE1-CD1 3.92Å; F73-L204 HydrophobicContact CE1-CG 4.47Å; I200-L204 HydrophobicContact CG2-CD1 4.12Å; I200-L204 HydrophobicContact CG2-CG 4.5Å; I200-L204 WeakPolarHBondContact O-CG 3.39Å; I200-L204 PolarHBondContact O-N 3.06Å; L201-L204 HydrophobicContact CD1-CD1 4.4Å; L201-L204 PolarHBondContact O-N 3.49Å; F202-L204 PolarHBondContact O-N 2.98Å; L204-L207 PolarHBondContact O-N 2.69Å; L204-L208 VanDerWaalsContact O-CB 3.27Å; L204-L208 WeakPolarHBondContact O-CB 3.13Å; L204-L208 PolarHBondContact O-N 3.38Å
205C96.3Very high93.6Very high0 Ų042.3 Ų42.30%024%0.239CC..Hα-helixtrans-62.1-45.2171.7-65.80000111.9L177 T181 L201 F202 L203 L207 L208 L209L177-C205 HydrophobicContact CD2-CB 4.41Å; L177-C205 WeakPolarHBondContact CD2-O 3.48Å; T181-C205 HydrophobicContact CG2-CB 3.66Å; L201-C205 PolarHBondContact O-N 2.96Å; L201-C205 PolarHBondContact O-SG 3.26Å; L201-C205 VanDerWaalsContact O-SG 3.37Å; F202-C205 WeakPolarHBondContact O-CB 3.2Å; F202-C205 PolarHBondContact O-N 3.46Å; L203-C205 VanDerWaalsContact C-N 3.27Å; L203-C205 PolarHBondContact O-N 3.08Å; C205-L207 VanDerWaalsContact C-N 3.34Å; C205-L207 PolarHBondContact O-N 3.32Å; C205-L208 WeakPolarHBondContact O-CB 3.46Å; C205-L208 PolarHBondContact O-N 3.12Å; C205-L209 PolarHBondContact O-N 3.29Å
206V96.1Very high93.9Very high38 Ų3838 Ų3823%0.2322%0.215CC..Hα-helixtrans-61.7-42.4178.31750000111.8A14 L18 F202 L203 L208 L209 G210A14-V206 HydrophobicContact CB-CG2 4.37Å; L18-V206 HydrophobicContact CD2-CG2 3.82Å; F202-V206 HydrophobicContact CD1-CG2 4.34Å; F202-V206 HydrophobicContact CE1-CG2 3.89Å; F202-V206 HydrophobicContact CE2-CG2 4.25Å; F202-V206 HydrophobicContact CZ-CG2 3.81Å; F202-V206 WeakPolarHBondContact O-CG2 3.42Å; F202-V206 PolarHBondContact O-N 3.13Å; L203-V206 PolarHBondContact O-N 3.11Å; L203-V206 VanDerWaalsContact O-N 3.1Å; V206-L208 VanDerWaalsContact C-N 3.34Å; V206-L209 WeakPolarHBondContact O-CB 3.29Å; V206-L209 PolarHBondContact O-N 3.3Å; V206-G210 PolarHBondContact O-N 3.46Å
207L95.9Very high94.1Very high124 Ų12438.5 Ų38.565%0.64921%0.211SC*.Hα-helixtrans-63.4-41.4175.1-69173.7000111.3L203 L204 C205 G210 L211L203-L207 WeakPolarHBondContact O-CG 3.49Å; L203-L207 PolarHBondContact O-N 3.44Å; L204-L207 PolarHBondContact O-N 2.69Å; C205-L207 VanDerWaalsContact C-N 3.34Å; C205-L207 PolarHBondContact O-N 3.32Å; L207-G210 PolarHBondContact O-N 2.77Å; L207-L211 WeakPolarHBondContact O-CB 3.32Å; L207-L211 PolarHBondContact O-N 2.81Å
208L95.8Very high94Very high11 Ų1135.1 Ų35.16%0.05819%0.19CC..Hα-helixtrans-64.4-39.2176.5-168.775000111.8W69 F73 L177 L204 C205 V206 L211 W212W69-L208 HydrophobicContact CB-CD1 4.21Å; F73-L208 HydrophobicContact CB-CD2 4.28Å; F73-L208 HydrophobicContact CD2-CD1 4.26Å; F73-L208 HydrophobicContact CD2-CD2 3.84Å; F73-L208 HydrophobicContact CE2-CD1 4.44Å; L177-L208 HydrophobicContact CD1-CD2 4.19Å; L177-L208 HydrophobicContact CD2-CB 4.09Å; L177-L208 HydrophobicContact CD2-CD2 4.24Å; L177-L208 HydrophobicContact CD2-CG 4.41Å; L204-L208 VanDerWaalsContact O-CB 3.27Å; L204-L208 WeakPolarHBondContact O-CB 3.13Å; L204-L208 PolarHBondContact O-N 3.38Å; C205-L208 WeakPolarHBondContact O-CB 3.46Å; C205-L208 PolarHBondContact O-N 3.12Å; V206-L208 VanDerWaalsContact C-N 3.34Å; L208-L211 HydrophobicContact CD1-CD2 4.36Å; L208-L211 WeakPolarHBondContact O-CB 3.31Å; L208-L211 PolarHBondContact O-N 3.34Å; L208-W212 HydrophobicContact CD1-CH2 4.32Å; L208-W212 HydrophobicContact CD1-CZ2 3.6Å; L208-W212 HydrophobicContact CD2-CZ2 4.24Å; L208-W212 HydrophobicContact CG-CZ2 3.95Å; L208-W212 VanDerWaalsContact O-CD1 3.24Å; L208-W212 VanDerWaalsContact O-CG 3.31Å; L208-W212 PolarHBondContact O-N 3.49Å
209L95.9Very high93.9Very high8 Ų835 Ų354%0.04219%0.189CC..Hα-helixtrans-60.3-46.9173.3-178.958.5000111.1F27 C174 L177 A178 C205 V206 L211 W212 I213F27-L209 HydrophobicContact CZ-CD1 3.97Å; C174-L209 HydrophobicContact CB-CD1 3.99Å; C174-L209 WeakPolarHBondContact O-CD1 3.24Å; L177-L209 HydrophobicContact CB-CD1 4.09Å; L177-L209 HydrophobicContact CD2-CB 3.62Å; A178-L209 HydrophobicContact CB-CD2 4.43Å; C205-L209 PolarHBondContact O-N 3.29Å; V206-L209 WeakPolarHBondContact O-CB 3.29Å; V206-L209 PolarHBondContact O-N 3.3Å; L209-L211 VanDerWaalsContact C-N 3.3Å; L209-L211 PolarHBondContact O-N 2.99Å; L209-W212 PolarHBondContact O-N 3.44Å; L209-I213 HydrophobicContact CD1-CD1 4.23Å; L209-I213 HydrophobicContact CD1-CG1 4.49Å; L209-I213 HydrophobicContact CG-CD1 4.1Å; L209-I213 WeakPolarHBondContact O-CG1 3.2Å; L209-I213 PolarHBondContact O-N 2.83Å
210G95.1Very high93.8Very high41 Ų4133.7 Ų33.742%0.42318%0.184SC..Hα-helixtrans-59.3-42.1175.800000112.1V206 L207 I213 F214V206-G210 PolarHBondContact O-N 3.46Å; L207-G210 PolarHBondContact O-N 2.77Å; G210-I213 PolarHBondContact O-N 3.26Å; G210-F214 WeakPolarHBondContact O-CB 3.43Å; G210-F214 PolarHBondContact O-N 2.94Å
211L93.8Very high93.6Very high59 Ų5930 Ų3031%0.30917%0.166SC..Hα-helixtrans-61.8-43.8175.7-176.268.4000111.9F62 L207 L208 L209 F214 L215F62-L211 HydrophobicContact CD1-CD2 3.93Å; F62-L211 HydrophobicContact CE1-CD2 3.93Å; L207-L211 WeakPolarHBondContact O-CB 3.32Å; L207-L211 PolarHBondContact O-N 2.81Å; L208-L211 HydrophobicContact CD1-CD2 4.36Å; L208-L211 WeakPolarHBondContact O-CB 3.31Å; L208-L211 PolarHBondContact O-N 3.34Å; L209-L211 VanDerWaalsContact C-N 3.3Å; L209-L211 PolarHBondContact O-N 2.99Å; L211-F214 PolarHBondContact O-N 2.95Å; L211-L215 HydrophobicContact CD1-CD1 4.46Å; L211-L215 HydrophobicContact CD1-CG 4.5Å; L211-L215 HydrophobicContact CG-CD1 4.1Å; L211-L215 WeakPolarHBondContact O-CB 3.33Å; L211-L215 WeakPolarHBondContact O-CG 3.45Å; L211-L215 PolarHBondContact O-N 3.42Å
212W94.8Very high93.2Very high0 Ų031 Ų310%017%0.169CC..Hα-helixtrans-65-41.7177.9-63.4143.6000112.8G66 W69 T70 L170 C174 L208 L209 F214 L215 L216G66-W212 WeakPolarHBondContact O-CZ2 3.45Å; W69-W212 HydrophobicContact CB-CH2 4.41Å; W69-W212 HydrophobicContact CB-CZ2 4.03Å; T70-W212 PolarHBondContact OG1-NE1 3.35Å; L170-W212 HydrophobicContact CD2-CB 4.19Å; L170-W212 HydrophobicContact CD2-CD2 4.05Å; L170-W212 HydrophobicContact CD2-CE3 3.43Å; L170-W212 VanDerWaalsContact CD2-CE3 3.43Å; L170-W212 HydrophobicContact CD2-CG 4.38Å; L170-W212 HydrophobicContact CD2-CZ3 4.23Å; C174-W212 WeakPolarHBondContact SG-CB 3.42Å; L208-W212 HydrophobicContact CD1-CH2 4.32Å; L208-W212 HydrophobicContact CD1-CZ2 3.6Å; L208-W212 HydrophobicContact CD2-CZ2 4.24Å; L208-W212 HydrophobicContact CG-CZ2 3.95Å; L208-W212 VanDerWaalsContact O-CD1 3.24Å; L208-W212 VanDerWaalsContact O-CG 3.31Å; L208-W212 PolarHBondContact O-N 3.49Å; L209-W212 PolarHBondContact O-N 3.44Å; W212-F214 VanDerWaalsContact C-N 3.33Å; W212-L215 HydrophobicContact CE3-CD1 3.71Å; W212-L215 HydrophobicContact CZ3-CD1 3.64Å; W212-L215 PolarHBondContact O-N 3.42Å; W212-L216 WeakPolarHBondContact O-CB 3.34Å; W212-L216 PolarHBondContact O-N 3.47Å
213I94.2Very high92.7Very high47 Ų4732.7 Ų32.724%0.24118%0.176CC..Hα-helixtrans-63.3-42.5174.7-65.8168.8000110.4F27 L209 G210 L216 L217F27-I213 HydrophobicContact CE2-CD1 4.09Å; F27-I213 HydrophobicContact CZ-CD1 4.18Å; L209-I213 HydrophobicContact CD1-CD1 4.23Å; L209-I213 HydrophobicContact CD1-CG1 4.49Å; L209-I213 HydrophobicContact CG-CD1 4.1Å; L209-I213 WeakPolarHBondContact O-CG1 3.2Å; L209-I213 PolarHBondContact O-N 2.83Å; G210-I213 PolarHBondContact O-N 3.26Å; I213-L216 PolarHBondContact O-N 2.87Å; I213-L217 HydrophobicContact CG2-CD1 4.17Å; I213-L217 WeakPolarHBondContact O-CG 3.4Å; I213-L217 PolarHBondContact O-N 3.48Å
214F92Very high92.2Very high95 Ų9534.1 Ų34.142%0.41719%0.187SC..Hα-helixtrans-62.9-45.6177174.7-100.8000112.2F51 G210 L211 W212 L216 L217 C218F51-F214 HydrophobicContact CE1-CE1 4.4Å; F51-F214 HydrophobicContact CZ-CE1 4.42Å; F51-F214 HydrophobicContact CZ-CZ 4.32Å; G210-F214 WeakPolarHBondContact O-CB 3.43Å; G210-F214 PolarHBondContact O-N 2.94Å; L211-F214 PolarHBondContact O-N 2.95Å; W212-F214 VanDerWaalsContact C-N 3.33Å; F214-L216 VanDerWaalsContact C-N 3.33Å; F214-L216 PolarHBondContact O-N 2.94Å; F214-L217 PolarHBondContact O-N 3.32Å; F214-C218 VanDerWaalsContact CZ-SG 3.51Å; F214-C218 PolarHBondContact O-N 2.91Å; F214-C218 PolarHBondContact O-SG 2.72Å
215L91.5Very high91.6Very high11 Ų1134.6 Ų34.66%0.05819%0.188CC..Hα-helixtrans-64-38.9176.8-74.7172.7000111.7Y59 F62 L63 L170 L211 W212 C218 L219Y59-L215 HydrophobicContact CD2-CD2 4.23Å; F62-L215 HydrophobicContact CB-CD1 4.05Å; L63-L215 HydrophobicContact CD2-CB 4.4Å; L170-L215 HydrophobicContact CD1-CB 4.39Å; L170-L215 HydrophobicContact CD2-CB 4.36Å; L211-L215 HydrophobicContact CD1-CD1 4.46Å; L211-L215 HydrophobicContact CD1-CG 4.5Å; L211-L215 HydrophobicContact CG-CD1 4.1Å; L211-L215 WeakPolarHBondContact O-CB 3.33Å; L211-L215 WeakPolarHBondContact O-CG 3.45Å; L211-L215 PolarHBondContact O-N 3.42Å; W212-L215 HydrophobicContact CE3-CD1 3.71Å; W212-L215 HydrophobicContact CZ3-CD1 3.64Å; W212-L215 PolarHBondContact O-N 3.42Å; L215-C218 PolarHBondContact O-N 2.88Å; L215-L219 PolarHBondContact O-N 3.41Å
216L92.5Very high91Very high0 Ų039.9 Ų39.90%021%0.211CC..Hα-helixtrans-61.3-47.5173.7179.462.8000111.3L31 V34 L35 V167 L170 W212 I213 F214 C218 L219 L220L31-L216 HydrophobicContact CD1-CD2 3.43Å; L31-L216 VanDerWaalsContact CD1-CD2 3.43Å; V34-L216 HydrophobicContact CG1-CD2 4.18Å; V34-L216 HydrophobicContact CG1-CG 4.47Å; L35-L216 HydrophobicContact CD2-CD1 4.17Å; V167-L216 HydrophobicContact CB-CD1 4.49Å; V167-L216 HydrophobicContact CG1-CD1 3.92Å; V167-L216 HydrophobicContact CG2-CD1 4.28Å; L170-L216 HydrophobicContact CD1-CB 4.13Å; L170-L216 HydrophobicContact CD1-CD1 4.37Å; W212-L216 WeakPolarHBondContact O-CB 3.34Å; W212-L216 PolarHBondContact O-N 3.47Å; I213-L216 PolarHBondContact O-N 2.87Å; F214-L216 VanDerWaalsContact C-N 3.33Å; F214-L216 PolarHBondContact O-N 2.94Å; L216-C218 VanDerWaalsContact C-N 3.31Å; L216-C218 PolarHBondContact O-N 3.48Å; L216-L219 WeakPolarHBondContact O-CB 3.45Å; L216-L219 PolarHBondContact O-N 2.97Å; L216-L219 VanDerWaalsContact O-N 3.16Å; L216-L220 HydrophobicContact CD1-CD1 4.17Å; L216-L220 HydrophobicContact CD1-CG 4.32Å; L216-L220 HydrophobicContact CG-CD1 4.04Å; L216-L220 VanDerWaalsContact O-CG 3.28Å; L216-L220 WeakPolarHBondContact O-CG 3.31Å; L216-L220 PolarHBondContact O-N 3.41Å
217L91.7Very high90.6Very high57 Ų5741.7 Ų41.730%0.29822%0.223SC..Hα-helixtrans-60-41.6175.7-76167.9000111.9V34 L41 I213 F214 L219 L220 A221V34-L217 HydrophobicContact CG1-CD2 3.69Å; V34-L217 HydrophobicContact CG1-CG 4.22Å; L41-L217 HydrophobicContact CD1-CD2 4.04Å; I213-L217 HydrophobicContact CG2-CD1 4.17Å; I213-L217 WeakPolarHBondContact O-CG 3.4Å; I213-L217 PolarHBondContact O-N 3.48Å; F214-L217 PolarHBondContact O-N 3.32Å; L217-L219 VanDerWaalsContact C-N 3.34Å; L217-L220 PolarHBondContact O-N 2.88Å; L217-A221 VanDerWaalsContact O-CB 3.22Å; L217-A221 WeakPolarHBondContact O-CB 3.17Å; L217-A221 PolarHBondContact O-N 3.29Å
218C89Confident90.3Very high11 Ų1137.2 Ų37.27%0.07420%0.201CC..Hα-helixtrans-61.8-43.3174.8-67.90000111.5F214 L215 L216 L220 A221 Y222F214-C218 VanDerWaalsContact CZ-SG 3.51Å; F214-C218 PolarHBondContact O-N 2.91Å; F214-C218 PolarHBondContact O-SG 2.72Å; L215-C218 PolarHBondContact O-N 2.88Å; L216-C218 VanDerWaalsContact C-N 3.31Å; L216-C218 PolarHBondContact O-N 3.48Å; C218-L220 VanDerWaalsContact C-N 3.32Å; C218-L220 PolarHBondContact O-N 3.43Å; C218-A221 PolarHBondContact O-N 3.29Å; C218-Y222 HydrophobicContact CB-CD2 4.22Å; C218-Y222 WeakPolarHBondContact O-CB 3.29Å; C218-Y222 WeakPolarHBondContact O-CD2 3.45Å; C218-Y222 PolarHBondContact O-N 3.39Å
219L89.6Confident90.1Very high5 Ų536.8 Ų36.83%0.02620%0.199CC..Hα-helixtrans-57.9-47.8177.6-133103.8000111.1Y59 L63 D166 V167 L170 L215 L216 L217 F223Y59-L219 HydrophobicContact CE2-CD1 3.91Å; Y59-L219 WeakPolarHBondContact OH-CD1 3.27Å; Y59-L219 VanDerWaalsContact OH-CG 3.29Å; Y59-L219 WeakPolarHBondContact OH-CG 3.36Å; L63-L219 HydrophobicContact CD1-CD1 3.63Å; L63-L219 HydrophobicContact CD2-CD1 3.91Å; L63-L219 HydrophobicContact CG-CD1 4.45Å; D166-L219 HydrophobicContact CB-CD1 4.36Å; D166-L219 HydrophobicContact CB-CD2 3.95Å; V167-L219 HydrophobicContact CG2-CD2 3.32Å; L170-L219 HydrophobicContact CD1-CD1 4.36Å; L215-L219 PolarHBondContact O-N 3.41Å; L216-L219 WeakPolarHBondContact O-CB 3.45Å; L216-L219 PolarHBondContact O-N 2.97Å; L216-L219 VanDerWaalsContact O-N 3.16Å; L217-L219 VanDerWaalsContact C-N 3.34Å; L219-F223 CarbonylContact O-C 3.56Å; L219-F223 VanDerWaalsContact O-C 3.32Å; L219-F223 WeakPolarHBondContact O-CA 3.36Å; L219-F223 PolarHBondContact O-N 3.39Å
220L91.1Very high90Very high1 Ų139.9 Ų39.91%0.00522%0.215CC..Hα-helixtrans-70.3-36.9-177.6-65.4172.2000112.1V34 L35 P39 L216 L217 C218 Q229V34-L220 HydrophobicContact CG1-CD1 3.92Å; V34-L220 WeakPolarHBondContact O-CD1 3.41Å; L35-L220 HydrophobicContact CD2-CD1 4.29Å; L35-L220 HydrophobicContact CD2-CD2 4.34Å; P39-L220 WeakPolarHBondContact CA-O 3.45Å; P39-L220 HydrophobicContact CG-CB 4.02Å; P39-L220 HydrophobicContact CG-CD2 3.93Å; P39-L220 HydrophobicContact CG-CG 4.5Å; L216-L220 HydrophobicContact CD1-CD1 4.17Å; L216-L220 HydrophobicContact CD1-CG 4.32Å; L216-L220 HydrophobicContact CG-CD1 4.04Å; L216-L220 VanDerWaalsContact O-CG 3.28Å; L216-L220 WeakPolarHBondContact O-CG 3.31Å; L216-L220 PolarHBondContact O-N 3.41Å; L217-L220 PolarHBondContact O-N 2.88Å; C218-L220 VanDerWaalsContact C-N 3.32Å; C218-L220 PolarHBondContact O-N 3.43Å; L220-Q229 HydrophobicContact CD2-CB 4.23Å
221A89.3Confident89.9Confident8 Ų840.4 Ų40.47%0.06621%0.208CC..Hα-helixtrans-79.6-43.3-177.600000113.4L41 S42 V45 L217 C218L41-A221 HydrophobicContact CB-CB 3.9Å; S42-A221 VanDerWaalsContact CA-O 3.3Å; S42-A221 WeakPolarHBondContact CA-O 3.47Å; S42-A221 WeakPolarHBondContact CB-O 3.26Å; V45-A221 HydrophobicContact CG2-CB 4.2Å; L217-A221 VanDerWaalsContact O-CB 3.22Å; L217-A221 WeakPolarHBondContact O-CB 3.17Å; L217-A221 PolarHBondContact O-N 3.29Å; C218-A221 PolarHBondContact O-N 3.29Å
222Y85.5Confident89.9Confident39 Ų3937.6 Ų37.615%0.15319%0.193CC..Hα-helixtrans-90.6-27.4-175.8-70.2-78000113.6V45 S49 F51 A52 C218 P224V45-Y222 HydrophobicContact CG1-CD1 3.71Å; V45-Y222 HydrophobicContact CG1-CE1 3.11Å; V45-Y222 HydrophobicContact CG1-CE2 4Å; V45-Y222 HydrophobicContact CG1-CG 4.39Å; V45-Y222 WeakPolarHBondContact CG1-OH 3.47Å; S49-Y222 WeakPolarHBondContact CB-OH 3.25Å; S49-Y222 PolarHBondContact OG-OH 3.24Å; F51-Y222 HydrophobicContact CB-CD2 4.05Å; F51-Y222 HydrophobicContact CB-CE1 4.49Å; F51-Y222 HydrophobicContact CB-CE2 3.57Å; A52-Y222 VanDerWaalsContact CA-CD1 3.47Å; A52-Y222 HydrophobicContact CB-CD1 3.61Å; A52-Y222 HydrophobicContact CB-CE1 3.81Å; C218-Y222 HydrophobicContact CB-CD2 4.22Å; C218-Y222 WeakPolarHBondContact O-CB 3.29Å; C218-Y222 WeakPolarHBondContact O-CD2 3.45Å; C218-Y222 PolarHBondContact O-N 3.39Å; Y222-P224 VanDerWaalsContact C-CD 3.42Å
223F85.6Confident89.9Confident36 Ų3637.6 Ų37.616%0.15819%0.193CC..SBendtrans-129.159.6-178.3-52.7-69.9000111.2A52 R54 Y59 L219 Q225 Q229A52-F223 WeakPolarHBondContact O-CZ 3.29Å; R54-F223 HydrophobicContact CB-CD1 4.49Å; R54-F223 HydrophobicContact CB-CE1 3.62Å; R54-F223 HydrophobicContact CB-CE2 4.28Å; R54-F223 HydrophobicContact CB-CZ 3.5Å; R54-F223 HydrophobicContact CG-CE1 4.13Å; R54-F223 HydrophobicContact CG-CE2 4.35Å; R54-F223 HydrophobicContact CG-CZ 4.01Å; Y59-F223 HydrophobicContact CE1-CE2 4.33Å; Y59-F223 WeakPolarHBondContact OH-CD2 3.47Å; L219-F223 CarbonylContact O-C 3.56Å; L219-F223 VanDerWaalsContact O-C 3.32Å; L219-F223 WeakPolarHBondContact O-CA 3.36Å; L219-F223 PolarHBondContact O-N 3.39Å; F223-Q225 PolarHBondContact O-N 3.47Å; F223-Q225 VanDerWaalsContact O-N 3.17Å; F223-Q229 PolarHBondContact O-NE2 3.24Å; F223-Q229 PolarHBondContact O-OE1 2.99Å
224P85.2Confident89.9Confident57 Ų5737.4 Ų37.437%0.3720%0.199SC..  trans-63.9118.5179.628.5-35.6000110.4P39 Y222P39-P224 HydrophobicContact CB-CB 4.01Å; Y222-P224 VanDerWaalsContact C-CD 3.42Å
225Q83.5Confident90.1Very high78 Ų7834.6 Ų34.636%0.36419%0.188SC..  trans-134.192177.7-65.6-174.2-44.900109.1F223 T228 Q229F223-Q225 PolarHBondContact O-N 3.47Å; F223-Q225 VanDerWaalsContact O-N 3.17Å; Q225-T228 WeakPolarHBondContact CB-OG1 3.25Å; Q225-T228 PolarHBondContact O-N 3.36Å; Q225-T228 PolarHBondContact O-OG1 3.09Å; Q225-Q229 HydrophobicContact CB-CG 4.06Å; Q225-Q229 WeakPolarHBondContact O-CB 3.2Å; Q225-Q229 VanDerWaalsContact O-CG 3.31Å; Q225-Q229 WeakPolarHBondContact O-CG 3.42Å; Q225-Q229 PolarHBondContact O-N 2.97Å
226F82.3Confident90.2Very high112 Ų11234.1 Ų34.149%0.49119%0.185SC..THydrogen-bonded Turntrans-98.1141.2173.9-70.5-75.2000111.2P39P39-F226 HydrophobicContact CB-CD2 4.11Å; P39-F226 HydrophobicContact CB-CE1 4.37Å; P39-F226 HydrophobicContact CB-CE2 3.04Å; P39-F226 HydrophobicContact CB-CZ 3.24Å; P39-F226 HydrophobicContact CG-CD2 4.4Å; P39-F226 HydrophobicContact CG-CE1 3.87Å; P39-F226 HydrophobicContact CG-CE2 3.45Å; P39-F226 VanDerWaalsContact CG-CE2 3.45Å; P39-F226 HydrophobicContact CG-CZ 3.13Å
227P87.5Confident90.2Very high75 Ų7534.8 Ų34.849%0.48719%0.19SC..THydrogen-bonded Turncis-902.21.535-35.6000114.6Q229 L230 L231P227-Q229 VanDerWaalsContact C-N 3.32Å; P227-Q229 PolarHBondContact O-N 2.87Å; P227-L230 WeakPolarHBondContact O-CB 3.47Å; P227-L230 PolarHBondContact O-N 3.11Å; P227-L231 HydrophobicContact CB-CD1 4.26Å; P227-L231 HydrophobicContact CG-CD1 4.27Å; P227-L231 WeakPolarHBondContact O-CD1 3.35Å; P227-L231 WeakPolarHBondContact O-CG 3.27Å; P227-L231 PolarHBondContact O-N 2.67Å
228T89.8Confident90.4Very high30 Ų3037.3 Ų37.318%0.18420%0.203CC..Hα-helixtrans-58-39.4-169.267.80000113.5E162 S164 Q225 G232E162-T228 WeakPolarHBondContact O-CB 3.26Å; E162-T228 WeakPolarHBondContact O-CG2 3.44Å; S164-T228 PolarHBondContact N-O 3.21Å; S164-T228 VanDerWaalsContact N-O 3.11Å; Q225-T228 WeakPolarHBondContact CB-OG1 3.25Å; Q225-T228 PolarHBondContact O-N 3.36Å; Q225-T228 PolarHBondContact O-OG1 3.09Å; T228-G232 PolarHBondContact O-N 3.46Å; T228-G232 VanDerWaalsContact O-N 3.16Å
229Q92.6Very high90.6Very high3 Ų337 Ų371%0.01420%0.201CC..Hα-helixtrans-70.1-38.6175.9-70.6177.3-37.400112.8V167 L220 F223 Q225 P227 L231 G232 G233V167-Q229 WeakPolarHBondContact CG1-O 3.3Å; V167-Q229 HydrophobicContact CG2-CB 4.02Å; V167-Q229 HydrophobicContact CG2-CG 3.87Å; L220-Q229 HydrophobicContact CD2-CB 4.23Å; F223-Q229 PolarHBondContact O-NE2 3.24Å; F223-Q229 PolarHBondContact O-OE1 2.99Å; Q225-Q229 HydrophobicContact CB-CG 4.06Å; Q225-Q229 WeakPolarHBondContact O-CB 3.2Å; Q225-Q229 VanDerWaalsContact O-CG 3.31Å; Q225-Q229 WeakPolarHBondContact O-CG 3.42Å; Q225-Q229 PolarHBondContact O-N 2.97Å; P227-Q229 VanDerWaalsContact C-N 3.32Å; P227-Q229 PolarHBondContact O-N 2.87Å; Q229-L231 VanDerWaalsContact C-N 3.32Å; Q229-L231 PolarHBondContact O-N 3.39Å; Q229-G232 PolarHBondContact O-N 2.86Å; Q229-G233 PolarHBondContact O-N 2.89Å
230L93.4Very high90.8Very high73 Ų7337.2 Ų37.238%0.38220%0.202SC..Hα-helixtrans-64.6-40.4178.1-176.963000110.8L35 V36 P227 G233 A234L35-L230 HydrophobicContact CB-CD1 4.43Å; V36-L230 HydrophobicContact CG2-CD1 4.19Å; P227-L230 WeakPolarHBondContact O-CB 3.47Å; P227-L230 PolarHBondContact O-N 3.11Å; L230-G233 PolarHBondContact O-N 3.3Å; L230-A234 WeakPolarHBondContact O-CB 3.44Å; L230-A234 PolarHBondContact O-N 3.04Å
231L93.6Very high90.9Very high51 Ų5142.3 Ų42.327%0.26722%0.221SC..Hα-helixtrans-64.9-44.3176.6-67.8156.7000111.9Y161 V163 P227 Q229 G233 A234 L235Y161-L231 HydrophobicContact CE1-CD1 3.96Å; Y161-L231 HydrophobicContact CE2-CD1 4.13Å; Y161-L231 VanDerWaalsContact CZ-CD1 3.41Å; Y161-L231 WeakPolarHBondContact OH-CD1 3.43Å; Y161-L231 VanDerWaalsContact OH-CD2 3.32Å; Y161-L231 WeakPolarHBondContact OH-CD2 3.31Å; V163-L231 HydrophobicContact CG1-CB 4.17Å; V163-L231 HydrophobicContact CG2-CB 4.42Å; P227-L231 HydrophobicContact CB-CD1 4.26Å; P227-L231 HydrophobicContact CG-CD1 4.27Å; P227-L231 WeakPolarHBondContact O-CD1 3.35Å; P227-L231 WeakPolarHBondContact O-CG 3.27Å; P227-L231 PolarHBondContact O-N 2.67Å; Q229-L231 VanDerWaalsContact C-N 3.32Å; Q229-L231 PolarHBondContact O-N 3.39Å; L231-G233 VanDerWaalsContact C-N 3.34Å; L231-G233 PolarHBondContact O-N 3.16Å; L231-A234 PolarHBondContact O-N 3.24Å; L231-L235 WeakPolarHBondContact O-CG 3.48Å; L231-L235 PolarHBondContact O-N 3.41Å
232G93.6Very high91Very high0 Ų044 Ų440%024%0.239CC..Hα-helixtrans-58.9-46.4174.600000111.8F168 T228 Q229 A234 L235 G236F168-G232 VanDerWaalsContact CA-O 3.28Å; F168-G232 WeakPolarHBondContact CA-O 3.38Å; F168-G232 WeakPolarHBondContact CB-O 3.42Å; T228-G232 PolarHBondContact O-N 3.46Å; T228-G232 VanDerWaalsContact O-N 3.16Å; Q229-G232 PolarHBondContact O-N 2.86Å; G232-A234 PolarHBondContact O-N 3.42Å; G232-L235 PolarHBondContact O-N 2.79Å; G232-G236 PolarHBondContact O-N 2.98Å
233G94.2Very high91.3Very high0 Ų042.4 Ų42.40%023%0.233CC..Hα-helixtrans-64.9-36.3176.600000113.8Q229 L230 L231 G236 C237Q229-G233 PolarHBondContact O-N 2.89Å; L230-G233 PolarHBondContact O-N 3.3Å; L231-G233 VanDerWaalsContact C-N 3.34Å; L231-G233 PolarHBondContact O-N 3.16Å; G233-G236 PolarHBondContact O-N 3.33Å; G233-C237 PolarHBondContact O-N 3.34Å; G233-C237 PolarHBondContact O-SG 3.2Å
234A94.6Very high91.3Very high43 Ų4340.9 Ų40.936%0.35523%0.226SC..Hα-helixtrans-65.1-44.7174.500000111.7L230 L231 G232 G236 C237 L238L230-A234 WeakPolarHBondContact O-CB 3.44Å; L230-A234 PolarHBondContact O-N 3.04Å; L231-A234 PolarHBondContact O-N 3.24Å; G232-A234 PolarHBondContact O-N 3.42Å; A234-G236 VanDerWaalsContact C-N 3.29Å; A234-G236 PolarHBondContact O-N 2.86Å; A234-C237 WeakPolarHBondContact O-CB 3.46Å; A234-C237 PolarHBondContact O-N 3.1Å; A234-L238 WeakPolarHBondContact O-CB 3.09Å; A234-L238 VanDerWaalsContact O-CG 3.3Å; A234-L238 WeakPolarHBondContact O-CG 3.43Å; A234-L238 PolarHBondContact O-N 2.81Å
235L95.1Very high91.4Very high37 Ų3741.9 Ų41.919%0.19423%0.226CC..Hα-helixtrans-57.7-43.4173.1-71.8176.3000111F109 L113 V163 F168 L231 G232 C237 L238 S239F109-L235 HydrophobicContact CE1-CD2 4.25Å; L113-L235 HydrophobicContact CD1-CD1 3.92Å; L113-L235 HydrophobicContact CD2-CD1 4.21Å; V163-L235 HydrophobicContact CG1-CD1 3.94Å; F168-L235 HydrophobicContact CD2-CB 3.86Å; F168-L235 HydrophobicContact CE2-CB 4.04Å; F168-L235 HydrophobicContact CG-CB 4.46Å; L231-L235 WeakPolarHBondContact O-CG 3.48Å; L231-L235 PolarHBondContact O-N 3.41Å; G232-L235 PolarHBondContact O-N 2.79Å; L235-C237 PolarHBondContact O-N 3.37Å; L235-L238 PolarHBondContact O-N 3.17Å; L235-S239 WeakPolarHBondContact O-CB 3.34Å; L235-S239 PolarHBondContact O-N 3.26Å; L235-S239 PolarHBondContact O-OG 2.84Å
236G94.1Very high91.5Very high0 Ų039.8 Ų39.80%023%0.225CC..Hα-helixtrans-58.9-46.1176.400000112.5F168 G232 G233 A234 W240F168-G236 VanDerWaalsContact CD2-N 3.31Å; G232-G236 PolarHBondContact O-N 2.98Å; G233-G236 PolarHBondContact O-N 3.33Å; A234-G236 VanDerWaalsContact C-N 3.29Å; A234-G236 PolarHBondContact O-N 2.86Å; G236-W240 PolarHBondContact O-N 3.37Å; G236-W240 VanDerWaalsContact O-N 3.08Å
237C93.6Very high91.7Very high15 Ų1538.9 Ų38.910%0.10122%0.219CC..Hα-helixtrans-62.6-42.5175.2-68.60000112.6G233 A234 L235 W240 R241G233-C237 PolarHBondContact O-N 3.34Å; G233-C237 PolarHBondContact O-SG 3.2Å; A234-C237 WeakPolarHBondContact O-CB 3.46Å; A234-C237 PolarHBondContact O-N 3.1Å; L235-C237 PolarHBondContact O-N 3.37Å; C237-W240 PolarHBondContact O-N 3.26Å; C237-R241 WeakPolarHBondContact O-CB 3.32Å; C237-R241 WeakPolarHBondContact O-CG 3.32Å; C237-R241 PolarHBondContact O-N 3.4Å
238L94.4Very high91.6Very high110 Ų11035.3 Ų35.358%0.57620%0.196SC*.Hα-helixtrans-67.2-44.7179.7-72.6173.5000111.7A234 L235 W240 R241 G242A234-L238 WeakPolarHBondContact O-CB 3.09Å; A234-L238 VanDerWaalsContact O-CG 3.3Å; A234-L238 WeakPolarHBondContact O-CG 3.43Å; A234-L238 PolarHBondContact O-N 2.81Å; L235-L238 PolarHBondContact O-N 3.17Å; L238-W240 VanDerWaalsContact C-N 3.33Å; L238-W240 PolarHBondContact O-N 3.4Å; L238-R241 PolarHBondContact O-N 3.37Å; L238-G242 PolarHBondContact O-N 3.07Å
239S94.3Very high91.2Very high5 Ų541.4 Ų41.44%0.03522%0.215CC..Hα-helixtrans-57.5-47174.7-59.20000110.9F109 L235 G242 L243F109-S239 WeakPolarHBondContact CE2-OG 3.47Å; L235-S239 WeakPolarHBondContact O-CB 3.34Å; L235-S239 PolarHBondContact O-N 3.26Å; L235-S239 PolarHBondContact O-OG 2.84Å; S239-G242 PolarHBondContact O-N 3.34Å; S239-L243 WeakPolarHBondContact O-CB 2.79Å; S239-L243 VanDerWaalsContact O-CG 3.31Å; S239-L243 WeakPolarHBondContact O-CG 3.18Å; S239-L243 PolarHBondContact O-N 2.9Å
240W94.3Very high90.4Very high8 Ų848.6 Ų48.63%0.0325%0.251CS..Hα-helixtrans-62.3-46.1176167.680.8000112.6H28 L175 G236 C237 L238 G242 L243 Y244 Q245H28-W240 HydrophobicContact CB-CE3 4.39Å; H28-W240 HydrophobicContact CB-CH2 4.02Å; H28-W240 HydrophobicContact CB-CZ3 3.72Å; H28-W240 AromaticContact CG-CZ3 3.87Å; H28-W240 AromaticContact ND1-CH2 3.94Å; L175-W240 HydrophobicContact CB-CB 3.97Å; L175-W240 HydrophobicContact CB-CD2 4.27Å; L175-W240 HydrophobicContact CB-CG 3.68Å; L175-W240 HydrophobicContact CD1-CB 3.59Å; L175-W240 HydrophobicContact CD1-CD2 4.13Å; L175-W240 HydrophobicContact CD1-CE3 4.27Å; L175-W240 HydrophobicContact CD1-CG 3.84Å; L175-W240 HydrophobicContact CD2-CD2 4.29Å; L175-W240 HydrophobicContact CD2-CE3 4.47Å; L175-W240 HydrophobicContact CG-CB 4.38Å; L175-W240 HydrophobicContact CG-CD2 4.47Å; L175-W240 HydrophobicContact CG-CG 4.22Å; G236-W240 PolarHBondContact O-N 3.37Å; G236-W240 VanDerWaalsContact O-N 3.08Å; C237-W240 PolarHBondContact O-N 3.26Å; L238-W240 VanDerWaalsContact C-N 3.33Å; L238-W240 PolarHBondContact O-N 3.4Å; W240-G242 PolarHBondContact O-N 3.26Å; W240-L243 PolarHBondContact O-N 3.33Å; W240-Y244 AromaticContact CD1-CD2 3.34Å; W240-Y244 AromaticContact CD1-CG 3.94Å; W240-Y244 HydrophobicContact CG-CD2 4.26Å; W240-Y244 AromaticContact NE1-CD2 3.8Å; W240-Y244 AromaticContact NE1-CG 3.91Å; W240-Y244 PolarHBondContact O-N 2.84Å; W240-Q245 HydrophobicContact CH2-CG 4.32Å
241R92.6Very high89.1Confident108 Ų10845.9 Ų45.941%0.40824%0.241SC..Iπ-helixtrans-60-47.2177.4-77.3-175.3176-168.1-2.7110.9H28 C237 L238 L243 Q245 G246H28-R241 PolarHBondContact CD2-NH2 3.48Å; H28-R241 PolarHBondContact NE2-NH2 3Å; H28-R241 VanDerWaalsContact NE2-NH2 3.14Å; C237-R241 WeakPolarHBondContact O-CB 3.32Å; C237-R241 WeakPolarHBondContact O-CG 3.32Å; C237-R241 PolarHBondContact O-N 3.4Å; L238-R241 PolarHBondContact O-N 3.37Å; R241-L243 VanDerWaalsContact C-N 3.34Å; R241-L243 PolarHBondContact O-N 2.92Å; R241-Q245 CarbonylContact O-C 3.32Å; R241-Q245 VanDerWaalsContact O-CA 3.29Å; R241-Q245 WeakPolarHBondContact O-CA 3.42Å; R241-Q245 VanDerWaalsContact O-CB 3.26Å; R241-Q245 WeakPolarHBondContact O-CB 3.19Å; R241-Q245 PolarHBondContact O-N 2.9Å; R241-G246 PolarHBondContact O-N 2.82Å
242G91.3Very high87.9Confident43 Ų4347.7 Ų47.744%0.44326%0.255SS..Iπ-helixtrans-56.9-46.1177.600000112.2L238 S239 W240 G246 W247L238-G242 PolarHBondContact O-N 3.07Å; S239-G242 PolarHBondContact O-N 3.34Å; W240-G242 PolarHBondContact O-N 3.26Å; G242-G246 CarbonylContact O-C 3.41Å; G242-G246 VanDerWaalsContact O-CA 3.32Å; G242-G246 WeakPolarHBondContact O-CA 3.37Å; G242-G246 PolarHBondContact O-N 3Å; G242-W247 PolarHBondContact O-N 3.47Å
243L91.4Very high86.8Confident7 Ų750.1 Ų50.14%0.03727%0.272CS..Iπ-helixtrans-71.7-63.4179-67.4178.4000112.5V101 A102 L105 S239 W240 R241 W247 Y248V101-L243 HydrophobicContact CG1-CD2 3.59Å; A102-L243 HydrophobicContact CB-CD1 3.91Å; L105-L243 HydrophobicContact CD2-CD1 3.8Å; L105-L243 HydrophobicContact CD2-CD2 4.15Å; L105-L243 HydrophobicContact CD2-CG 3.88Å; S239-L243 WeakPolarHBondContact O-CB 2.79Å; S239-L243 VanDerWaalsContact O-CG 3.31Å; S239-L243 WeakPolarHBondContact O-CG 3.18Å; S239-L243 PolarHBondContact O-N 2.9Å; W240-L243 PolarHBondContact O-N 3.33Å; R241-L243 VanDerWaalsContact C-N 3.34Å; R241-L243 PolarHBondContact O-N 2.92Å; L243-W247 HydrophobicContact CD2-CE3 3.78Å; L243-W247 HydrophobicContact CD2-CZ3 4.25Å; L243-W247 PolarHBondContact O-N 3.22Å; L243-Y248 HydrophobicContact CB-CE2 4.12Å; L243-Y248 VanDerWaalsContact O-CB 3.32Å; L243-Y248 WeakPolarHBondContact O-CB 3.5Å; L243-Y248 PolarHBondContact O-N 3.35Å
244Y86.7Confident85.4Confident3 Ų361.9 Ų61.91%0.01232%0.317CS..Iπ-helixtrans-83.7-32.4-167.7-74.5-87000114.2E179 E180 W240 Y248 R259 P260E179-Y244 HydrophobicContact CB-CD1 4.21Å; E179-Y244 HydrophobicContact CB-CE1 4.12Å; E179-Y244 HydrophobicContact CG-CD1 3.39Å; E179-Y244 HydrophobicContact CG-CE1 3.68Å; E179-Y244 HydrophobicContact CG-CG 3.97Å; E180-Y244 WeakPolarHBondContact OE1-CE1 3.06Å; E180-Y244 PolarHBondContact OE1-OH 3.32Å; W240-Y244 AromaticContact CD1-CD2 3.34Å; W240-Y244 AromaticContact CD1-CG 3.94Å; W240-Y244 HydrophobicContact CG-CD2 4.26Å; W240-Y244 AromaticContact NE1-CD2 3.8Å; W240-Y244 AromaticContact NE1-CG 3.91Å; W240-Y244 PolarHBondContact O-N 2.84Å; Y244-Y248 AromaticContact CD1-CD2 3.68Å; Y244-Y248 HydrophobicContact CD1-CD2 3.68Å; Y244-Y248 HydrophobicContact CD1-CE2 4.12Å; Y244-Y248 HydrophobicContact CD2-CD2 4.46Å; Y244-Y248 HydrophobicContact CD2-CE2 4.35Å; Y244-Y248 AromaticContact CE1-CD2 3.92Å; Y244-Y248 HydrophobicContact CE1-CD2 3.92Å; Y244-Y248 AromaticContact CE1-CE2 3.97Å; Y244-Y248 HydrophobicContact CE1-CE2 3.97Å; Y244-Y248 HydrophobicContact CE2-CE2 4.2Å; Y244-Y248 AromaticContact CG-CD2 4Å; Y244-Y248 HydrophobicContact CG-CD2 4Å; Y244-Y248 HydrophobicContact CG-CE2 4.33Å; Y244-R259 PolarHBondContact O-NE 3.2Å; Y244-P260 HydrophobicContact CD1-CG 4.01Å; Y244-P260 HydrophobicContact CE1-CG 3.65Å
245Q86.5Confident84Confident78 Ų7868.8 Ų68.836%0.36434%0.335SS..Iπ-helixtrans-96.8-18.7177.7-56-170.4-6.500113.5W240 R241 R249W240-Q245 HydrophobicContact CH2-CG 4.32Å; R241-Q245 CarbonylContact O-C 3.32Å; R241-Q245 VanDerWaalsContact O-CA 3.29Å; R241-Q245 WeakPolarHBondContact O-CA 3.42Å; R241-Q245 VanDerWaalsContact O-CB 3.26Å; R241-Q245 WeakPolarHBondContact O-CB 3.19Å; R241-Q245 PolarHBondContact O-N 2.9Å; Q245-R249 WeakPolarHBondContact O-CD 3.39Å; Q245-R249 WeakPolarHBondContact O-CG 3.19Å
246G86.5Confident83Confident34 Ų3467.5 Ų67.535%0.35133%0.329SS..Iπ-helixtrans-102-85.217500000111.6R241 G242 Y248 R249R241-G246 PolarHBondContact O-N 2.82Å; G242-G246 CarbonylContact O-C 3.41Å; G242-G246 VanDerWaalsContact O-CA 3.32Å; G242-G246 WeakPolarHBondContact O-CA 3.37Å; G242-G246 PolarHBondContact O-N 3Å; G246-Y248 PolarHBondContact O-N 3.1Å; G246-R249 WeakPolarHBondContact O-CB 3.48Å; G246-R249 PolarHBondContact O-N 3.44Å; G246-R249 VanDerWaalsContact O-N 3.17Å
247W86.1Confident81.9Confident94 Ų9467.8 Ų67.836%0.35633%0.331SS..G310 helixtrans-61.1-46.7-167.8-170.811.8000113.2V101 G242 L243 R249 M250 Y255 C256V101-W247 HydrophobicContact CG1-CE3 4.11Å; V101-W247 HydrophobicContact CG1-CH2 4.21Å; V101-W247 HydrophobicContact CG1-CZ3 3.44Å; V101-W247 VanDerWaalsContact CG1-CZ3 3.44Å; V101-W247 HydrophobicContact CG2-CH2 4.36Å; V101-W247 HydrophobicContact CG2-CZ3 4.38Å; G242-W247 PolarHBondContact O-N 3.47Å; L243-W247 HydrophobicContact CD2-CE3 3.78Å; L243-W247 HydrophobicContact CD2-CZ3 4.25Å; L243-W247 PolarHBondContact O-N 3.22Å; W247-R249 PolarHBondContact O-N 3.32Å; W247-M250 WeakPolarHBondContact O-CB 3.29Å; W247-M250 PolarHBondContact O-N 3.42Å; W247-M250 VanDerWaalsContact O-N 3.13Å; W247-Y255 VanDerWaalsContact CZ2-O 3.29Å; W247-Y255 WeakPolarHBondContact CZ2-O 3.34Å; W247-C256 PolarHBondContact NE1-SG 3.39Å
248Y85.3Confident81.1Confident0 Ų067.3 Ų67.30%033%0.328CS..G310 helixtrans-71.6-13.4-177.4-60.9-12.9000113.2R98 L243 Y244 G246 M250 P257 R259R98-Y248 WeakPolarHBondContact CA-OH 3.46Å; R98-Y248 HydrophobicContact CB-CE2 4.04Å; R98-Y248 HydrophobicContact CG-CD2 4.38Å; R98-Y248 HydrophobicContact CG-CE2 3.76Å; R98-Y248 PolarHBondContact O-OH 3.5Å; L243-Y248 HydrophobicContact CB-CE2 4.12Å; L243-Y248 VanDerWaalsContact O-CB 3.32Å; L243-Y248 WeakPolarHBondContact O-CB 3.5Å; L243-Y248 PolarHBondContact O-N 3.35Å; Y244-Y248 AromaticContact CD1-CD2 3.68Å; Y244-Y248 HydrophobicContact CD1-CD2 3.68Å; Y244-Y248 HydrophobicContact CD1-CE2 4.12Å; Y244-Y248 HydrophobicContact CD2-CD2 4.46Å; Y244-Y248 HydrophobicContact CD2-CE2 4.35Å; Y244-Y248 AromaticContact CE1-CD2 3.92Å; Y244-Y248 HydrophobicContact CE1-CD2 3.92Å; Y244-Y248 AromaticContact CE1-CE2 3.97Å; Y244-Y248 HydrophobicContact CE1-CE2 3.97Å; Y244-Y248 HydrophobicContact CE2-CE2 4.2Å; Y244-Y248 AromaticContact CG-CD2 4Å; Y244-Y248 HydrophobicContact CG-CD2 4Å; Y244-Y248 HydrophobicContact CG-CE2 4.33Å; G246-Y248 PolarHBondContact O-N 3.1Å; Y248-M250 VanDerWaalsContact C-N 3.32Å; Y248-P257 HydrophobicContact CD1-CG 3.73Å; Y248-P257 HydrophobicContact CE1-CG 3.41Å; Y248-P257 VanDerWaalsContact CE1-CG 3.41Å; Y248-R259 WeakPolarHBondContact O-CG 3.44Å; Y248-R259 PolarHBondContact O-N 3.29Å
249R81.5Confident80.4Confident158 Ų15865.6 Ų65.660%0.59631%0.314SS*.G310 helixtrans-71.6-24.2171.1-81.1-179.695173.7-1.6113.6Q245 G246 W247 G251Q245-R249 WeakPolarHBondContact O-CD 3.39Å; Q245-R249 WeakPolarHBondContact O-CG 3.19Å; G246-R249 WeakPolarHBondContact O-CB 3.48Å; G246-R249 PolarHBondContact O-N 3.44Å; G246-R249 VanDerWaalsContact O-N 3.17Å; W247-R249 PolarHBondContact O-N 3.32Å; R249-G251 PolarHBondContact O-N 3.18Å
250M75.4Confident79.6Confident153 Ų15366.1 Ų66.175%0.75432%0.318SS*.G310 helixtrans-68.45.5-176.2-63.8-175.816100113.5W247 Y248W247-M250 WeakPolarHBondContact O-CB 3.29Å; W247-M250 PolarHBondContact O-N 3.42Å; W247-M250 VanDerWaalsContact O-N 3.13Å; Y248-M250 VanDerWaalsContact C-N 3.32Å
251G66.6Low78.2Confident17 Ų1766 Ų6618%0.17532%0.319CS..  trans82.2170177.100000112.6R249 S253 C256R249-G251 PolarHBondContact O-N 3.18Å; G251-S253 PolarHBondContact O-N 3.06Å; G251-S253 VanDerWaalsContact O-N 3.11Å; G251-C256 WeakPolarHBondContact O-CB 3.46Å
252P67.9Low76.9Confident88 Ų8865.5 Ų65.557%0.57132%0.321SS*.SBendtrans-75.797.9179.329.4-31.8000111R94 C256R94-P252 VanDerWaalsContact NH2-CA 3.25Å; R94-P252 VanDerWaalsContact NH2-CB 3.35Å; R94-P252 PolarHBondContact NH2-O 3.4Å; R94-P252 VanDerWaalsContact NH2-O 3.15Å; P252-C256 WeakPolarHBondContact CA-O 3.41Å
253S69.6Low75.4Confident52 Ų5264.8 Ų64.836%0.36431%0.314SS..  trans-109.5169.5166.877.50000112R94 G251 Y255 C256R94-S253 PolarHBondContact NH2-O 3.38Å; G251-S253 PolarHBondContact O-N 3.06Å; G251-S253 VanDerWaalsContact O-N 3.11Å; S253-Y255 PolarHBondContact O-N 3.04Å; S253-Y255 PolarHBondContact OG-N 3.44Å; S253-C256 PolarHBondContact N-O 3.11Å; S253-C256 CarbonylContact O-C 3.51Å; S253-C256 PolarHBondContact O-N 3.1Å; S253-C256 WeakPolarHBondContact OG-CB 3.43Å; S253-C256 PolarHBondContact OG-N 2.91Å; S253-C256 PolarHBondContact OG-SG 2.88Å; S253-C256 VanDerWaalsContact OG-SG 3.38Å
254W65Low73.9Confident246 Ų24665 Ų6593%0.93232%0.315SS*.THydrogen-bonded Turntrans-48.9-32.3177-173.6-92.7000113.3
255Y65.4Low72.6Confident189 Ų18966.8 Ų66.874%0.74133%0.325SS*.THydrogen-bonded Turntrans-93.1-13.9177.3-91.3-95.2000115W247 S253W247-Y255 VanDerWaalsContact CZ2-O 3.29Å; W247-Y255 WeakPolarHBondContact CZ2-O 3.34Å; S253-Y255 PolarHBondContact O-N 3.04Å; S253-Y255 PolarHBondContact OG-N 3.44Å
256C73.9Confident71.4Confident10 Ų1068.2 Ų68.27%0.06834%0.335CS..  trans-120.2122.8-173.6-59.70000111.5R94 W247 G251 P252 S253 G258R94-C256 PolarHBondContact NE-O 3.29Å; R94-C256 PolarHBondContact NH2-O 3.13Å; W247-C256 PolarHBondContact NE1-SG 3.39Å; G251-C256 WeakPolarHBondContact O-CB 3.46Å; P252-C256 WeakPolarHBondContact CA-O 3.41Å; S253-C256 PolarHBondContact N-O 3.11Å; S253-C256 CarbonylContact O-C 3.51Å; S253-C256 PolarHBondContact O-N 3.1Å; S253-C256 WeakPolarHBondContact OG-CB 3.43Å; S253-C256 PolarHBondContact OG-N 2.91Å; S253-C256 PolarHBondContact OG-SG 2.88Å; S253-C256 VanDerWaalsContact OG-SG 3.38Å; C256-G258 VanDerWaalsContact C-N 3.27Å; C256-G258 PolarHBondContact O-N 2.92Å
257P72.3Confident70.1Confident6 Ų671.2 Ų71.24%0.03934%0.341CS..  trans-72.7-19.5177.727.7-33.5000113.4R94 R98 Y248R94-P257 HydrophobicContact CG-CB 4.36Å; R94-P257 WeakPolarHBondContact O-CB 3.27Å; R98-P257 HydrophobicContact CG-CB 3.64Å; R98-P257 HydrophobicContact CG-CG 3.5Å; Y248-P257 HydrophobicContact CD1-CG 3.73Å; Y248-P257 HydrophobicContact CE1-CG 3.41Å; Y248-P257 VanDerWaalsContact CE1-CG 3.41Å
258G77.2Confident68.8Low4 Ų470.2 Ų70.24%0.04134%0.339CS..  trans79.7164.3179.500000114R98 C256R98-G258 PolarHBondContact NH1-O 2.8Å; C256-G258 VanDerWaalsContact C-N 3.27Å; C256-G258 PolarHBondContact O-N 2.92Å
259R79.3Confident67.6Low75 Ų7574 Ų7428%0.28336%0.362SS..  trans-62.7147.1-176.4-73.4-168.8150.4179.5-7.4113.5Y244 Y248 G261 Q262Y244-R259 PolarHBondContact O-NE 3.2Å; Y248-R259 WeakPolarHBondContact O-CG 3.44Å; Y248-R259 PolarHBondContact O-N 3.29Å; R259-G261 PolarHBondContact O-N 3.42Å; R259-Q262 HydrophobicContact CB-CB 3.96Å; R259-Q262 WeakPolarHBondContact O-CB 3.12Å; R259-Q262 PolarHBondContact O-N 3.38Å; R259-Q262 VanDerWaalsContact O-N 3.1Å
260P76.3Confident66.6Low16 Ų1670.6 Ų70.610%0.10436%0.362CS..THydrogen-bonded Turntrans-53.3131167.7-25.736.5000111.2E179 V183 Y244 Q262E179-P260 HydrophobicContact CG-CG 4.14Å; V183-P260 HydrophobicContact CG2-CB 3.36Å; Y244-P260 HydrophobicContact CD1-CG 4.01Å; Y244-P260 HydrophobicContact CE1-CG 3.65Å; P260-Q262 PolarHBondContact O-N 3.16Å
261G66.7Low65.8Low6 Ų666.2 Ų66.26%0.06235%0.347CS..THydrogen-bonded Turntrans79.9-14.8-178.400000115.9R259 G263 L264 L265R259-G261 PolarHBondContact O-N 3.42Å; G261-G263 PolarHBondContact O-N 3.48Å; G261-L264 PolarHBondContact O-N 3.42Å; G261-L265 WeakPolarHBondContact O-CG 3.41Å; G261-L265 PolarHBondContact O-N 3.29Å; G261-L265 VanDerWaalsContact O-N 3.1Å
262Q65.2Low65.5Low97 Ų9767.5 Ų67.545%0.45336%0.356SS..THydrogen-bonded Turntrans-75.5123.3178.4-161.3146.18.900110R259 P260 L264R259-Q262 HydrophobicContact CB-CB 3.96Å; R259-Q262 WeakPolarHBondContact O-CB 3.12Å; R259-Q262 PolarHBondContact O-N 3.38Å; R259-Q262 VanDerWaalsContact O-N 3.1Å; P260-Q262 PolarHBondContact O-N 3.16Å; Q262-L264 VanDerWaalsContact C-N 3.32Å; Q262-L264 PolarHBondContact O-N 2.97Å
263G58.8Low65.1Low28 Ų2865.1 Ų65.129%0.28935%0.347SS..THydrogen-bonded Turntrans90-33.7-170.100000114.4G261 M267G261-G263 PolarHBondContact O-N 3.48Å; G263-M267 WeakPolarHBondContact O-CB 3.38Å
264L59.5Low64.6Low10 Ų1065.3 Ų65.35%0.05235%0.352CS..Hα-helixtrans-74.2-44.5175.6-67.1175.3000112.2I85 G261 Q262I85-L264 HydrophobicContact CB-CD2 3.96Å; I85-L264 HydrophobicContact CD1-CB 4.11Å; I85-L264 HydrophobicContact CD1-CD1 4.15Å; I85-L264 HydrophobicContact CD1-CD2 3.72Å; I85-L264 HydrophobicContact CD1-CG 4.2Å; I85-L264 HydrophobicContact CG1-CD2 4.44Å; I85-L264 HydrophobicContact CG2-CD2 3.76Å; G261-L264 PolarHBondContact O-N 3.42Å; Q262-L264 VanDerWaalsContact C-N 3.32Å; Q262-L264 PolarHBondContact O-N 2.97Å
265L60.5Low64.3Low42 Ų4259.4 Ų59.422%0.2234%0.335CS..Hα-helixtrans-76.8-41-179-59.4172.9000111.9P186 L190 G261 M267 K268 T269P186-L265 HydrophobicContact CB-CD1 3.98Å; P186-L265 HydrophobicContact CB-CD2 3.98Å; L190-L265 HydrophobicContact CD1-CB 4.03Å; L190-L265 HydrophobicContact CD1-CD2 3.47Å; L190-L265 VanDerWaalsContact CD1-CD2 3.47Å; L190-L265 HydrophobicContact CD1-CG 4.31Å; G261-L265 WeakPolarHBondContact O-CG 3.41Å; G261-L265 PolarHBondContact O-N 3.29Å; G261-L265 VanDerWaalsContact O-N 3.1Å; L265-M267 VanDerWaalsContact C-N 3.3Å; L265-M267 PolarHBondContact O-N 3.05Å; L265-K268 PolarHBondContact O-N 3.38Å; L265-T269 PolarHBondContact O-N 3.25Å; L265-T269 VanDerWaalsContact O-N 3.1Å; L265-T269 PolarHBondContact O-OG1 3.23Å
266N60.8Low64Low108 Ų10856 Ų5658%0.57833%0.329SS*.Hα-helixtrans-59.9-39.2180-75.74000112.4T269 S270N266-T269 PolarHBondContact O-N 3.04Å; N266-S270 PolarHBondContact O-N 2.86Å; N266-S270 PolarHBondContact O-OG 2.63Å; N266-S270 VanDerWaalsContact O-OG 3.13Å
267M58.4Low63.4Low97 Ų9759.5 Ų59.548%0.47835%0.351SS..Hα-helixtrans-70.3-38-177.5-162.8-179.7125.500112.5R86 G263 L265 S270 S271R86-M267 HydrophobicContact CG-SD 4.34Å; G263-M267 WeakPolarHBondContact O-CB 3.38Å; L265-M267 VanDerWaalsContact C-N 3.3Å; L265-M267 PolarHBondContact O-N 3.05Å; M267-S270 PolarHBondContact O-N 2.93Å; M267-S271 WeakPolarHBondContact O-CB 3.34Å; M267-S271 PolarHBondContact O-N 3.11Å
268K60.1Low62.8Low72 Ų7265.2 Ų65.231%0.31338%0.38SS..Hα-helixtrans-68.1-39.2175-173.271.9171.7178.60111.1L190 G191 L265 S271 A272L190-K268 HydrophobicContact CB-CG 4.01Å; L190-K268 WeakPolarHBondContact O-CE 3.36Å; G191-K268 VanDerWaalsContact O-CE 3.31Å; G191-K268 WeakPolarHBondContact O-CE 3.49Å; G191-K268 PolarHBondContact O-NZ 3.32Å; L265-K268 PolarHBondContact O-N 3.38Å; K268-S271 PolarHBondContact O-N 3.32Å; K268-A272 WeakPolarHBondContact O-CB 3.48Å; K268-A272 PolarHBondContact O-N 3.15Å
269T60Low61.9Low79 Ų7969.4 Ų69.449%0.48540%0.402SS..Hα-helixtrans-61.1-42.9172.7-51.90000111.7L265 N266 G273L265-T269 PolarHBondContact O-N 3.25Å; L265-T269 VanDerWaalsContact O-N 3.1Å; L265-T269 PolarHBondContact O-OG1 3.23Å; N266-T269 PolarHBondContact O-N 3.04Å; T269-G273 PolarHBondContact O-N 3.28Å
270S59.6Low60.9Low87 Ų8771.8 Ų71.861%0.60842%0.416SS*.Hα-helixtrans-65.1-39.9175.2-620000112.9N266 M267 A274N266-S270 PolarHBondContact O-N 2.86Å; N266-S270 PolarHBondContact O-OG 2.63Å; N266-S270 VanDerWaalsContact O-OG 3.13Å; M267-S270 PolarHBondContact O-N 2.93Å; S270-A274 WeakPolarHBondContact O-CB 3.42Å; S270-A274 PolarHBondContact O-N 3.19Å
271S59.3Low60.2Low62 Ų6276.7 Ų76.743%0.43444%0.441SS..Hα-helixtrans-65.3-44.5176.5-173.10000112.2M267 K268 A274 E275M267-S271 WeakPolarHBondContact O-CB 3.34Å; M267-S271 PolarHBondContact O-N 3.11Å; K268-S271 PolarHBondContact O-N 3.32Å; S271-A274 PolarHBondContact O-N 3.45Å; S271-E275 PolarHBondContact O-N 3.04Å
272A59Low59.5Low43 Ų4384 Ų8436%0.35547%0.473SS..Hα-helixtrans-64.5-41.8177.900000111.5K268 A274 E275 D276K268-A272 WeakPolarHBondContact O-CB 3.48Å; K268-A272 PolarHBondContact O-N 3.15Å; A272-A274 VanDerWaalsContact C-N 3.31Å; A272-A274 PolarHBondContact O-N 3.07Å; A272-E275 PolarHBondContact O-N 3.38Å; A272-D276 PolarHBondContact O-N 3.42Å; A272-D276 VanDerWaalsContact O-N 3.07Å
273G59.5Low58.9Low38 Ų3889.3 Ų89.339%0.39249%0.491SS..Hα-helixtrans-65.5-31.6175.400000113.9T269 T277T269-G273 PolarHBondContact O-N 3.28Å; G273-T277 PolarHBondContact O-N 3.04Å; G273-T277 PolarHBondContact O-OG1 3.48Å
274A59.8Low58.4Low57 Ų5796.6 Ų96.647%0.47152%0.523SS..Hα-helixtrans-72.6-37.5175.200000112.6S270 S271 A272 T277 L278S270-A274 WeakPolarHBondContact O-CB 3.42Å; S270-A274 PolarHBondContact O-N 3.19Å; S271-A274 PolarHBondContact O-N 3.45Å; A272-A274 VanDerWaalsContact C-N 3.31Å; A272-A274 PolarHBondContact O-N 3.07Å; A274-T277 WeakPolarHBondContact CA-OG1 3.46Å; A274-T277 PolarHBondContact O-OG1 3.02Å; A274-T277 VanDerWaalsContact O-OG1 3.13Å; A274-L278 WeakPolarHBondContact O-CB 3.37Å; A274-L278 PolarHBondContact O-N 3.13Å
275E58.7Low58.4Low122 Ų122101 Ų10157%0.5755%0.547SS*.Hα-helixtrans-66.4-41.2173.6-78.3178.9151.700111.9S271 A272 T277 L278 N279S271-E275 PolarHBondContact O-N 3.04Å; A272-E275 PolarHBondContact O-N 3.38Å; E275-T277 PolarHBondContact O-N 2.72Å; E275-L278 PolarHBondContact O-N 2.99Å; E275-N279 WeakPolarHBondContact O-CB 3.41Å; E275-N279 VanDerWaalsContact O-CG 3.29Å; E275-N279 PolarHBondContact O-N 3.35Å; E275-N279 PolarHBondContact O-ND2 3.35Å
276D59.6Low58.2Low116 Ų116104.1 Ų104.162%0.6256%0.564SS**Hα-helixtrans-64.4-39176.7-82.1-18.8000112.5A272 H280A272-D276 PolarHBondContact O-N 3.42Å; A272-D276 VanDerWaalsContact O-N 3.07Å; D276-H280 WeakPolarHBondContact O-CB 3.47Å; D276-H280 PolarHBondContact O-N 3.38Å
277T61.6Low58.1Low84 Ų84103.8 Ų103.852%0.51556%0.563SS.*Hα-helixtrans-71.2-36.5176.631.50000112.8G273 A274 E275 H280 N281G273-T277 PolarHBondContact O-N 3.04Å; G273-T277 PolarHBondContact O-OG1 3.48Å; A274-T277 WeakPolarHBondContact CA-OG1 3.46Å; A274-T277 PolarHBondContact O-OG1 3.02Å; A274-T277 VanDerWaalsContact O-OG1 3.13Å; E275-T277 PolarHBondContact O-N 2.72Å; T277-H280 PolarHBondContact O-N 3.35Å; T277-N281 PolarHBondContact O-N 3.05Å; T277-N281 PolarHBondContact O-ND2 3.13Å
278L58.2Low58.1Low126 Ų126104.2 Ų104.266%0.6657%0.568SS**Hα-helixtrans-65.2-43174.7-163.389.1000111.4A274 E275 N281 H282A274-L278 WeakPolarHBondContact O-CB 3.37Å; A274-L278 PolarHBondContact O-N 3.13Å; E275-L278 PolarHBondContact O-N 2.99Å; L278-N281 PolarHBondContact O-N 3Å; L278-H282 PolarHBondContact O-N 3.2Å
279N58.2Low58Low92 Ų92106.3 Ų106.349%0.49258%0.584SS.*Hα-helixtrans-64.2-40.6176.9-72.9-24.9000111.4E275 N281 H282 Y283E275-N279 WeakPolarHBondContact O-CB 3.41Å; E275-N279 VanDerWaalsContact O-CG 3.29Å; E275-N279 PolarHBondContact O-N 3.35Å; E275-N279 PolarHBondContact O-ND2 3.35Å; N279-N281 VanDerWaalsContact C-N 3.3Å; N279-N281 PolarHBondContact O-N 3.24Å; N279-H282 PolarHBondContact O-N 3.29Å; N279-Y283 WeakPolarHBondContact O-CD2 3.43Å
280H58.1Low57.8Low126 Ų126108.1 Ų108.158%0.58359%0.591SS**Hα-helixtrans-66.3-30.6178.6-158.1-41.9000113.3D276 T277 H282D276-H280 WeakPolarHBondContact O-CB 3.47Å; D276-H280 PolarHBondContact O-N 3.38Å; T277-H280 PolarHBondContact O-N 3.35Å; H280-H282 VanDerWaalsContact C-N 3.34Å
281N61.8Low57.7Low118 Ų118109.6 Ų109.663%0.63159%0.589SS**Hα-helixtrans-78.8-15.6177.4-70.1-23.3000113.7T277 L278 N279T277-N281 PolarHBondContact O-N 3.05Å; T277-N281 PolarHBondContact O-ND2 3.13Å; L278-N281 PolarHBondContact O-N 3Å; N279-N281 VanDerWaalsContact C-N 3.3Å; N279-N281 PolarHBondContact O-N 3.24Å
282H53.8Low57.6Low160 Ų160113.2 Ų113.274%0.74160%0.601SS**Hα-helixtrans-88-11.7180-152.6-41.6000112.9L278 N279 H280L278-H282 PolarHBondContact O-N 3.2Å; N279-H282 PolarHBondContact O-N 3.29Å; H280-H282 VanDerWaalsContact C-N 3.34Å
283Y52.6Low57.4Low209 Ų209119.1 Ų119.182%0.8262%0.622SS**  trans-107.43.5179.2-76.5-81.1000114.3N279N279-Y283 WeakPolarHBondContact O-CD2 3.43Å
284N47.4Very low57.3Low181 Ų181126.5 Ų126.597%0.96864%0.643SS**  trans-111.20169.7-81-19.1000109.9

Retrieved 284 of 284 residues in 333 ms (Link to these results)