A0A093I143_STRCA Loading...

Phosphate transporter

Sodium-phosphate symporter.

AlphaFold DB , UniProt , Accession A0A093I143, Species STRCA (Struthio camelus australis), Gene n/a, Length 651 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
1M46.6Very low80.7Confident196 Ų19673.5 Ų73.597%0.96638%0.38SS*.  0-590-128.7173-103.200112.7D4M1-D4 WeakPolarHBondContact CA-OD2 3.31Å; M1-D4 PolarHBondContact N-OD1 3.28Å; M1-D4 PolarHBondContact N-OD2 3.05Å
2A59.1Low82Confident80 Ų8071.8 Ų71.866%0.66138%0.375SS*.  trans-80.4-26175.200000114.7
3M69.7Low83.1Confident33 Ų3366.3 Ų66.316%0.16335%0.346CS..SBendtrans-88.8-11.2177.8-64.3-64-78.500113.4E5 Y6 L7 V84 M88 I519 Y520M3-E5 PolarHBondContact O-N 3.45Å; M3-Y6 WeakPolarHBondContact O-CA 3.45Å; M3-Y6 PolarHBondContact O-N 2.92Å; M3-Y6 HydrophobicContact SD-CD2 4.32Å; M3-L7 PolarHBondContact O-N 3.24Å; M3-V84 HydrophobicContact CE-CG1 4.16Å; M3-M88 HydrophobicContact CE-CE 4.46Å; M3-M88 HydrophobicContact CE-SD 3.48Å; M3-M88 WeakPolarHBondContact CE-SD 3.27Å; M3-I519 HydrophobicContact CE-CG2 4.4Å; M3-Y520 HydrophobicContact CB-CD2 4.23Å; M3-Y520 HydrophobicContact CB-CE2 4.2Å; M3-Y520 WeakPolarHBondContact O-CE2 3.39Å
4D76.8Confident84.1Confident88 Ų8864 Ų6447%0.47133%0.332SS..G310 helixtrans-67.3-30.2-171.6-51.2-12000111.1M1 Y6 L7M1-D4 WeakPolarHBondContact CA-OD2 3.31Å; M1-D4 PolarHBondContact N-OD1 3.28Å; M1-D4 PolarHBondContact N-OD2 3.05Å; D4-Y6 PolarHBondContact O-N 2.94Å; D4-L7 VanDerWaalsContact O-CB 3.27Å; D4-L7 WeakPolarHBondContact O-CB 3.4Å; D4-L7 PolarHBondContact O-N 3.44Å
5E82.8Confident85Confident122 Ų12266.1 Ų66.157%0.5734%0.342SS*.G310 helixtrans-62.7-20.4172-67.4170170.200112.7M3 W8M3-E5 PolarHBondContact O-N 3.45Å; E5-W8 PolarHBondContact O-NE1 3.36Å
6Y86.6Confident85.8Confident35 Ų3563.9 Ų63.914%0.13733%0.331CS..G310 helixtrans-103.44.4178.7-57.1-53.8000113.9M3 D4 W8 M9 P85 L648 V651M3-Y6 WeakPolarHBondContact O-CA 3.45Å; M3-Y6 PolarHBondContact O-N 2.92Å; M3-Y6 HydrophobicContact SD-CD2 4.32Å; D4-Y6 PolarHBondContact O-N 2.94Å; Y6-W8 PolarHBondContact O-N 3.4Å; Y6-W8 VanDerWaalsContact O-N 3.16Å; Y6-M9 HydrophobicContact CD1-CE 3.63Å; Y6-M9 HydrophobicContact CG-CE 3.83Å; Y6-M9 WeakPolarHBondContact O-CB 3.27Å; Y6-M9 PolarHBondContact O-N 3.48Å; Y6-P85 HydrophobicContact CD1-CB 4.3Å; Y6-P85 HydrophobicContact CD2-CB 4.25Å; Y6-P85 HydrophobicContact CD2-CG 3.95Å; Y6-P85 HydrophobicContact CE1-CB 3.99Å; Y6-P85 HydrophobicContact CE1-CG 4.28Å; Y6-P85 HydrophobicContact CE2-CB 3.93Å; Y6-P85 HydrophobicContact CE2-CG 3.37Å; Y6-P85 HydrophobicContact CG-CB 4.43Å; Y6-L648 HydrophobicContact CE1-CD2 4.29Å; Y6-V651 HydrophobicContact CD1-CG1 4.2Å; Y6-V651 HydrophobicContact CE1-CG1 3.81Å
7L90.4Very high86.4Confident73 Ų7360.2 Ų60.238%0.38231%0.312SS..Hα-helixtrans-56.2-31175.4175.260.7000112.5M3 D4 M9 V10 I11 Y520M3-L7 PolarHBondContact O-N 3.24Å; D4-L7 VanDerWaalsContact O-CB 3.27Å; D4-L7 WeakPolarHBondContact O-CB 3.4Å; D4-L7 PolarHBondContact O-N 3.44Å; L7-M9 VanDerWaalsContact C-N 3.29Å; L7-M9 PolarHBondContact O-N 3.26Å; L7-V10 HydrophobicContact CD1-CB 4.47Å; L7-V10 WeakPolarHBondContact O-CB 3.45Å; L7-V10 PolarHBondContact O-N 3Å; L7-V10 VanDerWaalsContact O-N 3.13Å; L7-I11 HydrophobicContact CD1-CD1 4.44Å; L7-I11 HydrophobicContact CD1-CG1 4.38Å; L7-I11 HydrophobicContact CG-CD1 4.01Å; L7-I11 HydrophobicContact CG-CG1 4.41Å; L7-I11 WeakPolarHBondContact O-CG1 3.34Å; L7-I11 PolarHBondContact O-N 3.32Å; L7-Y520 HydrophobicContact CB-CE2 4.1Å; L7-Y520 HydrophobicContact CD1-CE1 4.38Å; L7-Y520 HydrophobicContact CD1-CE2 4.34Å
8W92.8Very high87Confident83 Ų8360.2 Ų60.231%0.31431%0.309SS..Hα-helixtrans-62-34.9176.470.3-95.3000112.5E5 Y6 V10 I11 V12 L643 I647E5-W8 PolarHBondContact O-NE1 3.36Å; Y6-W8 PolarHBondContact O-N 3.4Å; Y6-W8 VanDerWaalsContact O-N 3.16Å; W8-V10 VanDerWaalsContact C-N 3.3Å; W8-V10 PolarHBondContact O-N 2.91Å; W8-I11 PolarHBondContact O-N 2.88Å; W8-V12 HydrophobicContact CE3-CG2 4.3Å; W8-V12 WeakPolarHBondContact O-CB 3.06Å; W8-V12 WeakPolarHBondContact O-CG2 3.24Å; W8-V12 PolarHBondContact O-N 2.87Å; W8-L643 HydrophobicContact CH2-CD2 3.81Å; W8-L643 HydrophobicContact CZ3-CD2 4.37Å; W8-I647 HydrophobicContact CH2-CG2 3.84Å; W8-I647 HydrophobicContact CZ2-CG2 3.84Å
9M93.4Very high87.5Confident1 Ų160.3 Ų60.31%0.00531%0.31CS..Hα-helixtrans-65.1-37.4175.5-73-164.4-73.400111Y6 L7 G13 P85 M88 A89 V92 L648Y6-M9 HydrophobicContact CD1-CE 3.63Å; Y6-M9 HydrophobicContact CG-CE 3.83Å; Y6-M9 WeakPolarHBondContact O-CB 3.27Å; Y6-M9 PolarHBondContact O-N 3.48Å; L7-M9 VanDerWaalsContact C-N 3.29Å; L7-M9 PolarHBondContact O-N 3.26Å; M9-G13 WeakPolarHBondContact O-CA 3.39Å; M9-G13 PolarHBondContact O-N 3.23Å; M9-P85 HydrophobicContact CE-CB 4.31Å; M9-M88 HydrophobicContact CB-CE 4.46Å; M9-M88 HydrophobicContact CE-CB 3.65Å; M9-M88 HydrophobicContact CE-CE 4.27Å; M9-M88 HydrophobicContact CE-CG 4.5Å; M9-M88 HydrophobicContact CE-SD 4.14Å; M9-M88 HydrophobicContact SD-CB 4.13Å; M9-A89 HydrophobicContact SD-CB 4.07Å; M9-V92 HydrophobicContact CB-CG2 4.39Å; M9-L648 HydrophobicContact CE-CD2 4.33Å; M9-L648 HydrophobicContact SD-CD2 4.42Å
10V94.5Very high87.9Confident4 Ų457.3 Ų57.32%0.02429%0.294CS..Hα-helixtrans-65.2-48.5175.3-177.90000110.5L7 W8 V12 G13 F14 M88 L516 W517 Y520L7-V10 HydrophobicContact CD1-CB 4.47Å; L7-V10 WeakPolarHBondContact O-CB 3.45Å; L7-V10 PolarHBondContact O-N 3Å; L7-V10 VanDerWaalsContact O-N 3.13Å; W8-V10 VanDerWaalsContact C-N 3.3Å; W8-V10 PolarHBondContact O-N 2.91Å; V10-V12 PolarHBondContact O-N 3.43Å; V10-G13 CarbonylContact O-C 3.26Å; V10-G13 WeakPolarHBondContact O-CA 2.8Å; V10-G13 PolarHBondContact O-N 3.04Å; V10-G13 VanDerWaalsContact O-N 3.11Å; V10-F14 HydrophobicContact CG1-CD2 3.9Å; V10-F14 HydrophobicContact CG1-CE2 3.62Å; V10-F14 VanDerWaalsContact O-CD2 3.24Å; V10-F14 WeakPolarHBondContact O-CD2 3.29Å; V10-F14 PolarHBondContact O-N 3.22Å; V10-M88 HydrophobicContact CG2-CE 3.78Å; V10-L516 HydrophobicContact CG2-CG 4.46Å; V10-W517 HydrophobicContact CG1-CE3 4.16Å; V10-W517 HydrophobicContact CG1-CZ3 4.49Å; V10-Y520 HydrophobicContact CG2-CD1 4.22Å; V10-Y520 HydrophobicContact CG2-CD2 3.63Å; V10-Y520 HydrophobicContact CG2-CE2 4.31Å; V10-Y520 HydrophobicContact CG2-CG 3.58Å
11I95.6Very high88.3Confident94 Ų9454.6 Ų54.648%0.48228%0.28SS..Hα-helixtrans-59.4-47.5178.4-65.5167.7000111.2L7 W8 G13 F14 I15L7-I11 HydrophobicContact CD1-CD1 4.44Å; L7-I11 HydrophobicContact CD1-CG1 4.38Å; L7-I11 HydrophobicContact CG-CD1 4.01Å; L7-I11 HydrophobicContact CG-CG1 4.41Å; L7-I11 WeakPolarHBondContact O-CG1 3.34Å; L7-I11 PolarHBondContact O-N 3.32Å; W8-I11 PolarHBondContact O-N 2.88Å; I11-G13 VanDerWaalsContact C-N 3.32Å; I11-G13 PolarHBondContact O-N 2.99Å; I11-F14 PolarHBondContact O-N 3.4Å; I11-I15 HydrophobicContact CG2-CD1 4.3Å; I11-I15 WeakPolarHBondContact O-CG1 3.32Å; I11-I15 PolarHBondContact O-N 3.3Å
12V95.8Very high90.6Very high53 Ų5347.2 Ų47.232%0.32124%0.243SC..Hα-helixtrans-61.4-43.5174.2170.90000110.3W8 V10 F14 I15 I16 V92W8-V12 HydrophobicContact CE3-CG2 4.3Å; W8-V12 WeakPolarHBondContact O-CB 3.06Å; W8-V12 WeakPolarHBondContact O-CG2 3.24Å; W8-V12 PolarHBondContact O-N 2.87Å; V10-V12 PolarHBondContact O-N 3.43Å; V12-F14 PolarHBondContact O-N 3Å; V12-I15 PolarHBondContact O-N 3.07Å; V12-I15 VanDerWaalsContact O-N 3.13Å; V12-I16 HydrophobicContact CG1-CG1 3.97Å; V12-I16 WeakPolarHBondContact O-CG1 3.37Å; V12-I16 PolarHBondContact O-N 3.28Å; V12-V92 HydrophobicContact CG1-CG1 4.2Å
13G96.4Very high92.2Very high0 Ų043.4 Ų43.40%021%0.211CC..Hα-helixtrans-54.1-46.8176.300000113M9 V10 I11 I16 A17M9-G13 WeakPolarHBondContact O-CA 3.39Å; M9-G13 PolarHBondContact O-N 3.23Å; V10-G13 CarbonylContact O-C 3.26Å; V10-G13 WeakPolarHBondContact O-CA 2.8Å; V10-G13 PolarHBondContact O-N 3.04Å; V10-G13 VanDerWaalsContact O-N 3.11Å; I11-G13 VanDerWaalsContact C-N 3.32Å; I11-G13 PolarHBondContact O-N 2.99Å; G13-I16 PolarHBondContact O-N 3.11Å; G13-A17 WeakPolarHBondContact O-CB 3.45Å; G13-A17 PolarHBondContact O-N 3.14Å
14F97.2Very high93.2Very high34 Ų3441.8 Ų41.815%0.14920%0.203CC..Hα-helixtrans-57.6-49.8173.6-85.5-78000112.1V10 I11 V12 I16 A17 F18 L513 W517 W534 L535 Y538V10-F14 HydrophobicContact CG1-CD2 3.9Å; V10-F14 HydrophobicContact CG1-CE2 3.62Å; V10-F14 VanDerWaalsContact O-CD2 3.24Å; V10-F14 WeakPolarHBondContact O-CD2 3.29Å; V10-F14 PolarHBondContact O-N 3.22Å; I11-F14 PolarHBondContact O-N 3.4Å; V12-F14 PolarHBondContact O-N 3Å; F14-I16 PolarHBondContact O-N 3.31Å; F14-A17 PolarHBondContact O-N 3.34Å; F14-F18 PolarHBondContact O-N 2.79Å; F14-L513 HydrophobicContact CD1-CD1 4.03Å; F14-L513 HydrophobicContact CD1-CD2 3.86Å; F14-L513 HydrophobicContact CD1-CG 4.47Å; F14-L513 HydrophobicContact CD2-CD1 4.19Å; F14-L513 HydrophobicContact CE1-CD1 4.17Å; F14-L513 HydrophobicContact CE1-CD2 3.81Å; F14-L513 HydrophobicContact CE1-CG 4.31Å; F14-L513 HydrophobicContact CE2-CD1 4.3Å; F14-L513 HydrophobicContact CG-CD1 4.01Å; F14-L513 HydrophobicContact CZ-CD1 4.26Å; F14-W517 AromaticContact CE2-CE3 3.77Å; F14-W517 HydrophobicContact CE2-CE3 3.77Å; F14-W517 HydrophobicContact CE2-CZ3 4.12Å; F14-W517 AromaticContact CZ-CE3 3.81Å; F14-W517 HydrophobicContact CZ-CE3 3.81Å; F14-W517 HydrophobicContact CZ-CZ3 4.25Å; F14-W534 AromaticContact CE1-CH2 3.73Å; F14-W534 HydrophobicContact CE1-CH2 3.73Å; F14-W534 AromaticContact CE1-CZ3 3.7Å; F14-W534 HydrophobicContact CE1-CZ3 3.7Å; F14-W534 AromaticContact CZ-CH2 3.53Å; F14-W534 HydrophobicContact CZ-CH2 3.53Å; F14-W534 HydrophobicContact CZ-CZ3 4.02Å; F14-L535 HydrophobicContact CE1-CD2 3.43Å; F14-L535 VanDerWaalsContact CE1-CD2 3.43Å; F14-L535 HydrophobicContact CZ-CD2 3.74Å; F14-Y538 HydrophobicContact CD1-CD1 4.42Å; F14-Y538 AromaticContact CD1-CE1 3.86Å; F14-Y538 HydrophobicContact CD1-CE1 3.86Å; F14-Y538 AromaticContact CD1-CZ 3.9Å; F14-Y538 PolarHBondContact O-OH 3.01Å
15I97.4Very high93.9Very high95 Ų9537.6 Ų37.649%0.48718%0.181SC..Hα-helixtrans-60.2-48.1-179.1-63.9165.7000110.8I11 V12 F18 I19I11-I15 HydrophobicContact CG2-CD1 4.3Å; I11-I15 WeakPolarHBondContact O-CG1 3.32Å; I11-I15 PolarHBondContact O-N 3.3Å; V12-I15 PolarHBondContact O-N 3.07Å; V12-I15 VanDerWaalsContact O-N 3.13Å; I15-F18 PolarHBondContact O-N 3.13Å; I15-I19 HydrophobicContact CG2-CD1 4.15Å; I15-I19 WeakPolarHBondContact O-CG1 3.39Å; I15-I19 PolarHBondContact O-N 2.82Å; I15-I19 VanDerWaalsContact O-N 3.11Å
16I97.4Very high94.1Very high32 Ų3231.8 Ų31.816%0.16415%0.154CC..Hα-helixtrans-68.1-38.7179.4-58.3-57.8000111.3V12 G13 F14 F18 I19 L20 M95 V96V12-I16 HydrophobicContact CG1-CG1 3.97Å; V12-I16 WeakPolarHBondContact O-CG1 3.37Å; V12-I16 PolarHBondContact O-N 3.28Å; G13-I16 PolarHBondContact O-N 3.11Å; F14-I16 PolarHBondContact O-N 3.31Å; I16-F18 VanDerWaalsContact C-N 3.29Å; I16-F18 PolarHBondContact O-N 2.93Å; I16-I19 HydrophobicContact CD1-CD1 4.32Å; I16-I19 CarbonylContact O-C 3.49Å; I16-I19 PolarHBondContact O-N 2.84Å; I16-I19 VanDerWaalsContact O-N 3.16Å; I16-L20 WeakPolarHBondContact O-CB 3.22Å; I16-L20 PolarHBondContact O-N 3Å; I16-M95 HydrophobicContact CG2-CB 3.69Å; I16-V96 HydrophobicContact CB-CG2 4.37Å; I16-V96 HydrophobicContact CD1-CG2 4.13Å; I16-V96 HydrophobicContact CG1-CG2 3.87Å; I16-V96 HydrophobicContact CG2-CB 4.32Å; I16-V96 HydrophobicContact CG2-CG2 3.67Å
17A96.9Very high93.9Very high0 Ų030.7 Ų30.70%015%0.15CC..Hα-helixtrans-61.8-36.8175.400000112.2G13 F14 L20 A21 M95 L513G13-A17 WeakPolarHBondContact O-CB 3.45Å; G13-A17 PolarHBondContact O-N 3.14Å; F14-A17 PolarHBondContact O-N 3.34Å; A17-L20 PolarHBondContact O-N 3.3Å; A17-A21 VanDerWaalsContact O-CB 3.3Å; A17-A21 WeakPolarHBondContact O-CB 3.46Å; A17-A21 PolarHBondContact O-N 2.85Å; A17-M95 HydrophobicContact CB-SD 3.71Å; A17-L513 HydrophobicContact CB-CB 3.88Å; A17-L513 HydrophobicContact CB-CD1 4.02Å; A17-L513 HydrophobicContact CB-CD2 3.68Å; A17-L513 HydrophobicContact CB-CG 4.06Å
18F97.1Very high93.4Very high61 Ų6127.3 Ų27.327%0.26813%0.132SC..Hα-helixtrans-66-42.1173-166.9-91.6000112F14 I15 I16 L20 A21 F22 Y538 V541 V545F14-F18 PolarHBondContact O-N 2.79Å; I15-F18 PolarHBondContact O-N 3.13Å; I16-F18 VanDerWaalsContact C-N 3.29Å; I16-F18 PolarHBondContact O-N 2.93Å; F18-L20 VanDerWaalsContact C-N 3.33Å; F18-A21 PolarHBondContact O-N 3.33Å; F18-F22 VanDerWaalsContact O-CB 3.24Å; F18-F22 WeakPolarHBondContact O-CB 3.36Å; F18-F22 PolarHBondContact O-N 2.92Å; F18-Y538 HydrophobicContact CB-CE1 4.26Å; F18-Y538 HydrophobicContact CD2-CE1 4.36Å; F18-Y538 HydrophobicContact CD2-CE2 4.02Å; F18-Y538 AromaticContact CD2-CZ 3.89Å; F18-V541 HydrophobicContact CE2-CG1 4.38Å; F18-V545 HydrophobicContact CZ-CB 4.29Å; F18-V545 HydrophobicContact CZ-CG2 4.15Å
19I96.5Very high92.4Very high62 Ų6223.3 Ų23.332%0.31812%0.118SC..Hα-helixtrans-64-39.4174.9-65.1166.9000110.7I15 I16 F22 S23 A99 L103I15-I19 HydrophobicContact CG2-CD1 4.15Å; I15-I19 WeakPolarHBondContact O-CG1 3.39Å; I15-I19 PolarHBondContact O-N 2.82Å; I15-I19 VanDerWaalsContact O-N 3.11Å; I16-I19 HydrophobicContact CD1-CD1 4.32Å; I16-I19 CarbonylContact O-C 3.49Å; I16-I19 PolarHBondContact O-N 2.84Å; I16-I19 VanDerWaalsContact O-N 3.16Å; I19-F22 WeakPolarHBondContact O-CB 3.37Å; I19-F22 PolarHBondContact O-N 3.38Å; I19-S23 WeakPolarHBondContact O-CB 3.34Å; I19-S23 PolarHBondContact O-N 3.49Å; I19-S23 PolarHBondContact O-OG 2.97Å; I19-A99 HydrophobicContact CG2-CB 4.26Å; I19-L103 HydrophobicContact CG2-CD1 3.84Å
20L95.8Very high91.5Very high0 Ų023.5 Ų23.50%012%0.119CC..Hα-helixtrans-65.8-46.6175.9-17950.4000111.5I16 A17 F18 F22 S23 V24 M95 A99 Q102 A509I16-L20 WeakPolarHBondContact O-CB 3.22Å; I16-L20 PolarHBondContact O-N 3Å; A17-L20 PolarHBondContact O-N 3.3Å; F18-L20 VanDerWaalsContact C-N 3.33Å; L20-F22 VanDerWaalsContact C-N 3.33Å; L20-F22 PolarHBondContact O-N 3.23Å; L20-S23 WeakPolarHBondContact O-CB 3.36Å; L20-S23 PolarHBondContact O-N 3.34Å; L20-V24 WeakPolarHBondContact O-CG2 3.41Å; L20-V24 PolarHBondContact O-N 3.47Å; L20-M95 HydrophobicContact CD2-CB 4.08Å; L20-M95 HydrophobicContact CD2-CG 4.13Å; L20-A99 HydrophobicContact CB-CB 4.12Å; L20-A99 HydrophobicContact CD1-CB 4.28Å; L20-Q102 VanDerWaalsContact CD1-NE2 3.33Å; L20-A509 HydrophobicContact CB-CB 4.23Å; L20-A509 HydrophobicContact CD2-CB 4.31Å; L20-A509 HydrophobicContact CG-CB 3.83Å
21A95.3Very high90.8Very high0 Ų024 Ų240%012%0.122CC..Hα-helixtrans-59-44173.900000111.7A17 F18 S23 V24 G25 A509 I543A17-A21 VanDerWaalsContact O-CB 3.3Å; A17-A21 WeakPolarHBondContact O-CB 3.46Å; A17-A21 PolarHBondContact O-N 2.85Å; F18-A21 PolarHBondContact O-N 3.33Å; A21-S23 VanDerWaalsContact C-N 3.3Å; A21-S23 PolarHBondContact O-N 2.86Å; A21-V24 PolarHBondContact O-N 3.49Å; A21-G25 PolarHBondContact O-N 2.81Å; A21-A509 HydrophobicContact CB-CB 3.84Å; A21-I543 HydrophobicContact CB-CG1 4.17Å; A21-I543 VanDerWaalsContact O-CA 3.3Å; A21-I543 WeakPolarHBondContact O-CA 3.36Å; A21-I543 WeakPolarHBondContact O-CG1 3.5Å
22F94.8Very high90Very high41 Ų4119.8 Ų19.818%0.1810%0.1CC..Hα-helixtrans-57.9-40.8172174.5-78.8000112.1F18 I19 L20 G25 A26 L103 G542 V545 G546 V549 W550F18-F22 VanDerWaalsContact O-CB 3.24Å; F18-F22 WeakPolarHBondContact O-CB 3.36Å; F18-F22 PolarHBondContact O-N 2.92Å; I19-F22 WeakPolarHBondContact O-CB 3.37Å; I19-F22 PolarHBondContact O-N 3.38Å; L20-F22 VanDerWaalsContact C-N 3.33Å; L20-F22 PolarHBondContact O-N 3.23Å; F22-G25 PolarHBondContact O-N 3.26Å; F22-A26 VanDerWaalsContact O-CB 3.28Å; F22-A26 WeakPolarHBondContact O-CB 3.37Å; F22-A26 PolarHBondContact O-N 3.47Å; F22-L103 HydrophobicContact CD1-CD2 4.32Å; F22-L103 HydrophobicContact CE1-CD2 4.4Å; F22-G542 VanDerWaalsContact CA-O 3.31Å; F22-G542 WeakPolarHBondContact CA-O 3.42Å; F22-V545 HydrophobicContact CD2-CB 4.35Å; F22-V545 HydrophobicContact CD2-CG1 3.92Å; F22-V545 HydrophobicContact CE2-CG1 4.1Å; F22-G546 VanDerWaalsContact CD2-N 3.32Å; F22-G546 VanDerWaalsContact O-CA 3.24Å; F22-G546 WeakPolarHBondContact O-CA 3.27Å; F22-V549 HydrophobicContact CE2-CB 3.79Å; F22-V549 HydrophobicContact CE2-CG1 4.09Å; F22-V549 HydrophobicContact CE2-CG2 4.08Å; F22-V549 HydrophobicContact CZ-CB 3.94Å; F22-V549 HydrophobicContact CZ-CG1 3.84Å; F22-W550 HydrophobicContact CE1-CE3 4.1Å
23S92.6Very high89.6Confident0 Ų017.2 Ų17.20%09%0.085CC..Hα-helixtrans-66.9-40.8178.3-50.80000112.2I19 L20 A21 A26 N27 L103I19-S23 WeakPolarHBondContact O-CB 3.34Å; I19-S23 PolarHBondContact O-N 3.49Å; I19-S23 PolarHBondContact O-OG 2.97Å; L20-S23 WeakPolarHBondContact O-CB 3.36Å; L20-S23 PolarHBondContact O-N 3.34Å; A21-S23 VanDerWaalsContact C-N 3.3Å; A21-S23 PolarHBondContact O-N 2.86Å; S23-A26 PolarHBondContact O-N 3.48Å; S23-N27 PolarHBondContact O-N 2.97Å; S23-N27 PolarHBondContact O-ND2 2.95Å; S23-L103 VanDerWaalsContact OG-CD2 3.25Å; S23-L103 WeakPolarHBondContact OG-CD2 3.43Å; S23-L103 VanDerWaalsContact OG-CG 3.27Å; S23-L103 WeakPolarHBondContact OG-CG 3.2Å
24V91.3Very high88.9Confident0 Ų017.2 Ų17.20%09%0.085CC..Hα-helixtrans-59.7-52.9174169.80000110L20 A21 A26 N27 D28 Q102 D505 I543L20-V24 WeakPolarHBondContact O-CG2 3.41Å; L20-V24 PolarHBondContact O-N 3.47Å; A21-V24 PolarHBondContact O-N 3.49Å; V24-A26 VanDerWaalsContact C-N 3.27Å; V24-A26 PolarHBondContact O-N 3.38Å; V24-N27 PolarHBondContact O-N 2.94Å; V24-N27 VanDerWaalsContact O-N 3.16Å; V24-D28 PolarHBondContact O-N 2.98Å; V24-Q102 VanDerWaalsContact CG2-OE1 3.29Å; V24-D505 HydrophobicContact CG1-CB 3.83Å; V24-I543 HydrophobicContact CB-CG1 4.39Å; V24-I543 HydrophobicContact CG1-CD1 4.26Å; V24-I543 HydrophobicContact CG1-CG1 4.24Å
25G90.7Very high88.3Confident0 Ų015.8 Ų15.80%08%0.079CC..Hα-helixtrans-65.4-26.4178.800000114.6A21 F22 V29 I543 L547A21-G25 PolarHBondContact O-N 2.81Å; F22-G25 PolarHBondContact O-N 3.26Å; G25-V29 WeakPolarHBondContact O-CG1 3.45Å; G25-I543 WeakPolarHBondContact CA-O 3.42Å; G25-L547 WeakPolarHBondContact O-CA 3.31Å
26A87.4Confident87.8Confident0 Ų011.3 Ų11.30%06%0.056CC..Hα-helixtrans-71.6-37.8172.800000112.9F22 S23 V24 W550 G551 V554F22-A26 VanDerWaalsContact O-CB 3.28Å; F22-A26 WeakPolarHBondContact O-CB 3.37Å; F22-A26 PolarHBondContact O-N 3.47Å; S23-A26 PolarHBondContact O-N 3.48Å; V24-A26 VanDerWaalsContact C-N 3.27Å; V24-A26 PolarHBondContact O-N 3.38Å; A26-W550 HydrophobicContact CB-CB 3.89Å; A26-W550 HydrophobicContact CB-CE3 4.47Å; A26-W550 HydrophobicContact CB-CG 4.41Å; A26-G551 WeakPolarHBondContact O-CA 3.19Å; A26-V554 WeakPolarHBondContact O-CG2 3.46Å
27N82.8Confident87.2Confident11 Ų1111.2 Ų11.26%0.0596%0.057CC..Hα-helixtrans-83.4-53.3-178.7-76.4-37.5000112.8S23 V24 Q102 S106S23-N27 PolarHBondContact O-N 2.97Å; S23-N27 PolarHBondContact O-ND2 2.95Å; V24-N27 PolarHBondContact O-N 2.94Å; V24-N27 VanDerWaalsContact O-N 3.16Å; N27-Q102 PolarHBondContact ND2-O 3.47Å; N27-Q102 VanDerWaalsContact ND2-O 3.1Å; N27-S106 PolarHBondContact ND2-OG 3.47Å; N27-S106 VanDerWaalsContact ND2-OG 3.14Å; N27-S106 WeakPolarHBondContact OD1-CA 3.22Å; N27-S106 VanDerWaalsContact OD1-CB 3.31Å; N27-S106 WeakPolarHBondContact OD1-CB 3.43Å; N27-S106 PolarHBondContact OD1-N 3.23Å; N27-S106 PolarHBondContact OD1-OG 2.95Å
28D79.4Confident86.3Confident2 Ų213.1 Ų13.11%0.0118%0.077CC..Hα-helixtrans-97.5-9.9-154.3-65-33.4000113.6V24 A30 N31 T594V24-D28 PolarHBondContact O-N 2.98Å; D28-A30 PolarHBondContact O-N 3.28Å; D28-A30 VanDerWaalsContact O-N 3.12Å; D28-N31 WeakPolarHBondContact O-CB 3.26Å; D28-N31 PolarHBondContact O-N 2.86Å; D28-N31 PolarHBondContact O-ND2 2.95Å; D28-T594 PolarHBondContact OD1-OG1 3.03Å
29V72.2Confident85.4Confident0 Ų011 Ų110%07%0.07CC..Hα-helixtrans-57.6-29173.265.30000112.9G25 N31 S32 F33 A51 L547 I555G25-V29 WeakPolarHBondContact O-CG1 3.45Å; V29-N31 PolarHBondContact O-N 2.98Å; V29-S32 PolarHBondContact O-N 3.18Å; V29-F33 PolarHBondContact O-N 3.5Å; V29-A51 HydrophobicContact CG2-CB 4.17Å; V29-L547 HydrophobicContact CB-CD1 3.95Å; V29-L547 HydrophobicContact CB-CG 4.22Å; V29-L547 HydrophobicContact CG1-CG 4.32Å; V29-L547 HydrophobicContact CG2-CD1 3.37Å; V29-L547 HydrophobicContact CG2-CG 3.85Å; V29-I555 HydrophobicContact CG1-CD1 3.82Å; V29-I555 HydrophobicContact CG1-CG1 3.91Å; V29-I555 HydrophobicContact CG2-CD1 4.06Å
30A73.6Confident84.5Confident5 Ų511.1 Ų11.14%0.0419%0.086CC..Hα-helixtrans-62.3-25.617500000112.5D28 S32 G34 V554 I555 M558D28-A30 PolarHBondContact O-N 3.28Å; D28-A30 VanDerWaalsContact O-N 3.12Å; A30-S32 VanDerWaalsContact C-N 3.34Å; A30-G34 WeakPolarHBondContact O-CA 3.39Å; A30-G34 PolarHBondContact O-N 3.31Å; A30-V554 HydrophobicContact CB-CG1 3.99Å; A30-I555 HydrophobicContact CB-CG1 4.39Å; A30-M558 HydrophobicContact CB-CB 3.99Å; A30-M558 HydrophobicContact CB-CG 3.86Å
31N80.1Confident84Confident15 Ų1511.6 Ų11.68%0.089%0.089CC..Hα-helixtrans-66.8-36.5173.6-59.9-43000111.6D28 V29 T594 K597D28-N31 WeakPolarHBondContact O-CB 3.26Å; D28-N31 PolarHBondContact O-N 2.86Å; D28-N31 PolarHBondContact O-ND2 2.95Å; V29-N31 PolarHBondContact O-N 2.98Å; N31-T594 PolarHBondContact ND2-OG1 3.16Å; N31-K597 VanDerWaalsContact O-CD 3.26Å; N31-K597 WeakPolarHBondContact O-CD 3.43Å; N31-K597 WeakPolarHBondContact O-CE 3.37Å; N31-K597 PolarHBondContact O-NZ 3.41Å
32S80.3Confident83.5Confident4 Ų411.9 Ų11.93%0.0289%0.09CC..Hα-helixtrans-82.9-50.9-177.3-59.90000112.4V29 A30 S498 H501V29-S32 PolarHBondContact O-N 3.18Å; A30-S32 VanDerWaalsContact C-N 3.34Å; S32-S498 WeakPolarHBondContact OG-CA 3.35Å; S32-H501 WeakPolarHBondContact OG-CB 3.46Å
33F86.9Confident83.3Confident0 Ų013.4 Ų13.40%010%0.103CC..Hα-helixtrans-110.4-8.8-172.4-80.1-85000115.4V29 T35 A36 V37 A47 L50 A51 A494V29-F33 PolarHBondContact O-N 3.5Å; F33-T35 PolarHBondContact O-N 2.86Å; F33-A36 HydrophobicContact CD1-CB 4.42Å; F33-A36 PolarHBondContact O-N 2.87Å; F33-A36 VanDerWaalsContact O-N 3.09Å; F33-V37 WeakPolarHBondContact O-CG2 3.34Å; F33-V37 PolarHBondContact O-N 3.38Å; F33-A47 HydrophobicContact CB-CB 3.97Å; F33-A47 HydrophobicContact CD1-CB 3.71Å; F33-A47 HydrophobicContact CE1-CB 4.45Å; F33-A47 HydrophobicContact CG-CB 3.91Å; F33-L50 HydrophobicContact CE1-CB 4.03Å; F33-L50 HydrophobicContact CE1-CD1 4.15Å; F33-L50 HydrophobicContact CE2-CB 4.48Å; F33-L50 HydrophobicContact CZ-CB 3.6Å; F33-L50 HydrophobicContact CZ-CD1 4.48Å; F33-A51 HydrophobicContact CD2-CB 3.72Å; F33-A51 HydrophobicContact CE2-CB 3.49Å; F33-A51 VanDerWaalsContact CE2-CB 3.49Å; F33-A51 HydrophobicContact CZ-CB 4.45Å; F33-A494 HydrophobicContact CD1-CB 3.75Å; F33-A494 HydrophobicContact CE1-CB 3.58Å; F33-A494 HydrophobicContact CG-CB 4.39Å; F33-A494 HydrophobicContact CZ-CB 4.09Å
34G82.1Confident82.9Confident0 Ų015 Ų150%011%0.112CC..Hα-helixtrans-58-36-178.700000113.2A30 G38A30-G34 WeakPolarHBondContact O-CA 3.39Å; A30-G34 PolarHBondContact O-N 3.31Å; G34-G38 PolarHBondContact O-N 3.31Å
35T83.2Confident82.7Confident4 Ų424.2 Ų24.23%0.02515%0.146CC..Hα-helixtrans-74.6-31.5176.943.30000113.7F33 S39 Q490 I565 E574 K597F33-T35 PolarHBondContact O-N 2.86Å; T35-S39 WeakPolarHBondContact O-CB 3.38Å; T35-S39 PolarHBondContact O-N 2.9Å; T35-S39 PolarHBondContact O-OG 2.9Å; T35-Q490 PolarHBondContact O-NE2 3.25Å; T35-I565 HydrophobicContact CG2-CD1 3.96Å; T35-E574 WeakPolarHBondContact CB-OE1 3.5Å; T35-E574 WeakPolarHBondContact OG1-CG 3.43Å; T35-E574 PolarHBondContact OG1-OE1 2.95Å; T35-K597 PolarHBondContact OG1-NZ 2.95Å
36A86.6Confident82.7Confident0 Ų029 Ų290%017%0.169CC..Hα-helixtrans-81.2-26.7176.800000112.9F33 S39 V41 V42 Q490 A494F33-A36 HydrophobicContact CD1-CB 4.42Å; F33-A36 PolarHBondContact O-N 2.87Å; F33-A36 VanDerWaalsContact O-N 3.09Å; A36-S39 PolarHBondContact O-OG 3.34Å; A36-V41 PolarHBondContact O-N 3.48Å; A36-V41 VanDerWaalsContact O-N 3.14Å; A36-V42 HydrophobicContact CB-CB 4.5Å; A36-V42 HydrophobicContact CB-CG2 4.06Å; A36-V42 PolarHBondContact O-N 2.73Å; A36-Q490 HydrophobicContact CB-CG 4.3Å; A36-A494 HydrophobicContact CB-CB 3.91Å
37V84.8Confident82.8Confident30 Ų3029 Ų2918%0.18217%0.169CC..Hα-helixtrans-81.4-41.4171.8177.50000110.8F33 S39 G40 V42 A47 I555F33-V37 WeakPolarHBondContact O-CG2 3.34Å; F33-V37 PolarHBondContact O-N 3.38Å; V37-S39 VanDerWaalsContact C-N 3.28Å; V37-S39 PolarHBondContact O-N 3.41Å; V37-G40 PolarHBondContact O-N 2.85Å; V37-G40 VanDerWaalsContact O-N 3.11Å; V37-V42 WeakPolarHBondContact CG2-O 3.49Å; V37-A47 HydrophobicContact CG2-CB 3.69Å; V37-I555 HydrophobicContact CB-CG2 3.87Å; V37-I555 HydrophobicContact CG1-CG2 3.93Å; V37-I555 HydrophobicContact CG2-CG2 3.86Å
38G78.7Confident83.2Confident41 Ų4128.5 Ų28.542%0.42317%0.166SC..Hα-helixtrans-66.7-24.217800000114.7G34 G559G34-G38 PolarHBondContact O-N 3.31Å; G38-G559 VanDerWaalsContact CA-O 3.26Å; G38-G559 WeakPolarHBondContact CA-O 3.31Å
39S78.1Confident83.8Confident17 Ų1732.9 Ų32.912%0.11919%0.189CC..THydrogen-bonded Turntrans-89.15.1173.153.50000113.9T35 A36 V37 V41 Q490T35-S39 WeakPolarHBondContact O-CB 3.38Å; T35-S39 PolarHBondContact O-N 2.9Å; T35-S39 PolarHBondContact O-OG 2.9Å; A36-S39 PolarHBondContact O-OG 3.34Å; V37-S39 VanDerWaalsContact C-N 3.28Å; V37-S39 PolarHBondContact O-N 3.41Å; S39-V41 PolarHBondContact O-N 2.92Å; S39-V41 VanDerWaalsContact O-N 3.14Å; S39-V41 WeakPolarHBondContact OG-CG2 3.26Å; S39-Q490 PolarHBondContact OG-NE2 3.5Å; S39-Q490 PolarHBondContact OG-OE1 3.41Å; S39-Q490 VanDerWaalsContact OG-OE1 3.06Å
40G78.5Confident84.8Confident64 Ų6435.3 Ų35.366%0.6620%0.201SC*.THydrogen-bonded Turntrans69.93-178.500000115.4V37V37-G40 PolarHBondContact O-N 2.85Å; V37-G40 VanDerWaalsContact O-N 3.11Å
41V83.9Confident85.6Confident9 Ų935 Ų356%0.05520%0.199CC..SBendtrans-71.7-30-175.2170.90000112.8A36 S39 H487 Q490 I491 P567A36-V41 PolarHBondContact O-N 3.48Å; A36-V41 VanDerWaalsContact O-N 3.14Å; S39-V41 PolarHBondContact O-N 2.92Å; S39-V41 VanDerWaalsContact O-N 3.14Å; S39-V41 WeakPolarHBondContact OG-CG2 3.26Å; V41-H487 HydrophobicContact CG1-CB 4.43Å; V41-H487 WeakPolarHBondContact CG1-O 3.36Å; V41-H487 HydrophobicContact CG2-CB 4.19Å; V41-H487 PolarHBondContact O-CE1 2.98Å; V41-Q490 HydrophobicContact CG1-CB 4.38Å; V41-I491 HydrophobicContact CG1-CD1 4.1Å; V41-I491 HydrophobicContact CG1-CG1 3.58Å; V41-P567 HydrophobicContact CG2-CB 4.3Å; V41-P567 HydrophobicContact CG2-CG 4.01Å
42V86.5Confident86.2Confident6 Ų635.4 Ų35.44%0.03620%0.203CC..SBendtrans-136.8130.4-178.9-1710000110.5A36 V37 Q46 A47 I491A36-V42 HydrophobicContact CB-CB 4.5Å; A36-V42 HydrophobicContact CB-CG2 4.06Å; A36-V42 PolarHBondContact O-N 2.73Å; V37-V42 WeakPolarHBondContact CG2-O 3.49Å; V42-Q46 HydrophobicContact CG1-CB 3.52Å; V42-A47 HydrophobicContact CG1-CB 3.98Å; V42-I491 HydrophobicContact CG2-CD1 4.42Å; V42-I491 HydrophobicContact CG2-CG1 3.76Å
43T88.8Confident86.9Confident74 Ų7439 Ų3945%0.45423%0.225SC..  trans-67.7151.7172.565.10000111.3R45 Q46 A47T43-R45 PolarHBondContact O-N 3.48Å; T43-R45 VanDerWaalsContact O-N 3.07Å; T43-Q46 PolarHBondContact O-N 2.62Å; T43-Q46 WeakPolarHBondContact OG1-CB 3.48Å; T43-Q46 VanDerWaalsContact OG1-CG 3.27Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.48Å; T43-Q46 PolarHBondContact OG1-N 3.32Å; T43-Q46 PolarHBondContact OG1-OE1 3.11Å; T43-A47 PolarHBondContact O-N 3.23Å
44L84.8Confident87.2Confident34 Ų3442.4 Ų42.418%0.17824%0.24CC..Hα-helixtrans-53.7-34.7179.1-172.664.8000113.5C48 R552 I555 Q556L44-C48 PolarHBondContact O-N 3.33Å; L44-C48 VanDerWaalsContact O-N 3.13Å; L44-C48 PolarHBondContact O-SG 3.22Å; L44-R552 HydrophobicContact CD2-CB 4.06Å; L44-R552 HydrophobicContact CD2-CG 4.21Å; L44-R552 HydrophobicContact CG-CG 4.33Å; L44-I555 HydrophobicContact CD1-CB 3.76Å; L44-I555 HydrophobicContact CD1-CD1 3.82Å; L44-I555 HydrophobicContact CD1-CG1 4.41Å; L44-I555 HydrophobicContact CD1-CG2 3.55Å; L44-Q556 HydrophobicContact CD2-CG 3.85Å
45R87.9Confident87.7Confident192 Ų19242.4 Ų42.473%0.72524%0.24SC*.Hα-helixtrans-69.1-45.8176.7-69-173.6-178.6-170.53.8112.1T43 C48 I49T43-R45 PolarHBondContact O-N 3.48Å; T43-R45 VanDerWaalsContact O-N 3.07Å; R45-C48 PolarHBondContact O-N 2.91Å; R45-I49 WeakPolarHBondContact O-CG1 3.27Å; R45-I49 PolarHBondContact O-N 2.97Å
46Q91.1Very high88.2Confident100 Ų10043.3 Ų43.347%0.46725%0.245SC..Hα-helixtrans-63.8-42.1177.2-72.3159.8-24.700111.2V42 T43 C48 I49 L50V42-Q46 HydrophobicContact CG1-CB 3.52Å; T43-Q46 PolarHBondContact O-N 2.62Å; T43-Q46 WeakPolarHBondContact OG1-CB 3.48Å; T43-Q46 VanDerWaalsContact OG1-CG 3.27Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.48Å; T43-Q46 PolarHBondContact OG1-N 3.32Å; T43-Q46 PolarHBondContact OG1-OE1 3.11Å; Q46-C48 VanDerWaalsContact C-N 3.34Å; Q46-C48 PolarHBondContact O-N 2.83Å; Q46-I49 PolarHBondContact O-N 3.09Å; Q46-L50 WeakPolarHBondContact O-CG 3.42Å; Q46-L50 PolarHBondContact O-N 3.47Å
47A89.4Confident88.5Confident1 Ų146.1 Ų46.11%0.00826%0.262CS..Hα-helixtrans-57.2-46.3175.200000111.4F33 V37 V42 T43 I49 L50 A51F33-A47 HydrophobicContact CB-CB 3.97Å; F33-A47 HydrophobicContact CD1-CB 3.71Å; F33-A47 HydrophobicContact CE1-CB 4.45Å; F33-A47 HydrophobicContact CG-CB 3.91Å; V37-A47 HydrophobicContact CG2-CB 3.69Å; V42-A47 HydrophobicContact CG1-CB 3.98Å; T43-A47 PolarHBondContact O-N 3.23Å; A47-I49 VanDerWaalsContact C-N 3.34Å; A47-I49 PolarHBondContact O-N 3.44Å; A47-L50 PolarHBondContact O-N 3.49Å; A47-A51 WeakPolarHBondContact O-CB 3.43Å; A47-A51 PolarHBondContact O-N 3.03Å
48C89.6Confident88.8Confident0 Ų044.7 Ų44.70%025%0.254CS..Hα-helixtrans-60.5-41.1176.7-65.70000112.9L44 R45 Q46 S52 L547 W548L44-C48 PolarHBondContact O-N 3.33Å; L44-C48 VanDerWaalsContact O-N 3.13Å; L44-C48 PolarHBondContact O-SG 3.22Å; R45-C48 PolarHBondContact O-N 2.91Å; Q46-C48 VanDerWaalsContact C-N 3.34Å; Q46-C48 PolarHBondContact O-N 2.83Å; C48-S52 WeakPolarHBondContact O-CB 3.29Å; C48-S52 PolarHBondContact O-N 3.46Å; C48-S52 PolarHBondContact O-OG 2.9Å; C48-L547 HydrophobicContact CB-CD2 3.78Å; C48-W548 HydrophobicContact CB-CD2 4.28Å; C48-W548 HydrophobicContact CB-CH2 4.22Å; C48-W548 HydrophobicContact CB-CZ2 3.81Å
49I92.8Very high89.3Confident94 Ų9442.7 Ų42.748%0.48223%0.234SC..Hα-helixtrans-66.9-50.4-179.9-66.3165.1000110.6R45 Q46 A47 S52 V53 W548R45-I49 WeakPolarHBondContact O-CG1 3.27Å; R45-I49 PolarHBondContact O-N 2.97Å; Q46-I49 PolarHBondContact O-N 3.09Å; A47-I49 VanDerWaalsContact C-N 3.34Å; A47-I49 PolarHBondContact O-N 3.44Å; I49-S52 PolarHBondContact O-N 2.93Å; I49-V53 PolarHBondContact O-N 3.42Å; I49-W548 HydrophobicContact CG1-CH2 3.79Å; I49-W548 HydrophobicContact CG1-CZ2 3.72Å
50L92.6Very high89.9Confident51 Ų5143.3 Ų43.327%0.26724%0.237SC..Hα-helixtrans-61.2-47.6179.6-69.2171.4000110.8F33 Q46 A47 S52 V53 F54 I491F33-L50 HydrophobicContact CE1-CB 4.03Å; F33-L50 HydrophobicContact CE1-CD1 4.15Å; F33-L50 HydrophobicContact CE2-CB 4.48Å; F33-L50 HydrophobicContact CZ-CB 3.6Å; F33-L50 HydrophobicContact CZ-CD1 4.48Å; Q46-L50 WeakPolarHBondContact O-CG 3.42Å; Q46-L50 PolarHBondContact O-N 3.47Å; A47-L50 PolarHBondContact O-N 3.49Å; L50-S52 VanDerWaalsContact C-N 3.3Å; L50-S52 PolarHBondContact O-N 2.92Å; L50-V53 PolarHBondContact O-N 3.13Å; L50-V53 VanDerWaalsContact O-N 3.17Å; L50-F54 HydrophobicContact CD2-CE2 4.39Å; L50-F54 VanDerWaalsContact O-CD2 3.28Å; L50-F54 WeakPolarHBondContact O-CD2 3.44Å; L50-F54 PolarHBondContact O-N 3.36Å; L50-I491 HydrophobicContact CD1-CG2 4.24Å
51A91.6Very high90.5Very high0 Ų042 Ų420%021%0.214CC..Hα-helixtrans-56.8-42.7176.500000112.6V29 F33 A47 V53 F54 E55 S498 L547V29-A51 HydrophobicContact CG2-CB 4.17Å; F33-A51 HydrophobicContact CD2-CB 3.72Å; F33-A51 HydrophobicContact CE2-CB 3.49Å; F33-A51 VanDerWaalsContact CE2-CB 3.49Å; F33-A51 HydrophobicContact CZ-CB 4.45Å; A47-A51 WeakPolarHBondContact O-CB 3.43Å; A47-A51 PolarHBondContact O-N 3.03Å; A51-V53 VanDerWaalsContact C-N 3.26Å; A51-V53 PolarHBondContact O-N 3.42Å; A51-F54 PolarHBondContact O-N 3.12Å; A51-E55 VanDerWaalsContact O-CB 3.32Å; A51-E55 WeakPolarHBondContact O-CB 3.13Å; A51-E55 VanDerWaalsContact O-CG 3.3Å; A51-E55 WeakPolarHBondContact O-CG 3.32Å; A51-E55 PolarHBondContact O-N 2.91Å; A51-S498 WeakPolarHBondContact CA-OG 3.24Å; A51-L547 HydrophobicContact CB-CD1 3.44Å; A51-L547 VanDerWaalsContact CB-CD1 3.44Å
52S93Very high90.6Very high22 Ų2241.7 Ų41.715%0.15421%0.212CC..Hα-helixtrans-59.9-38.5179.8-56.50000112.7C48 I49 L50 T56 C544 W548C48-S52 WeakPolarHBondContact O-CB 3.29Å; C48-S52 PolarHBondContact O-N 3.46Å; C48-S52 PolarHBondContact O-OG 2.9Å; I49-S52 PolarHBondContact O-N 2.93Å; L50-S52 VanDerWaalsContact C-N 3.3Å; L50-S52 PolarHBondContact O-N 2.92Å; S52-T56 VanDerWaalsContact O-CB 3.27Å; S52-T56 WeakPolarHBondContact O-CB 3.29Å; S52-T56 PolarHBondContact O-N 2.97Å; S52-T56 PolarHBondContact O-OG1 3.31Å; S52-C544 VanDerWaalsContact CA-SG 3.54Å; S52-C544 PolarHBondContact O-SG 2.89Å; S52-W548 PolarHBondContact OG-NE1 3.39Å
53V94.6Very high90.5Very high81 Ų8141.5 Ų41.549%0.49121%0.211SC..Hα-helixtrans-70.7-50.9176.5177.60000110.4I49 L50 A51 T57I49-V53 PolarHBondContact O-N 3.42Å; L50-V53 PolarHBondContact O-N 3.13Å; L50-V53 VanDerWaalsContact O-N 3.17Å; A51-V53 VanDerWaalsContact C-N 3.26Å; A51-V53 PolarHBondContact O-N 3.42Å; V53-T57 VanDerWaalsContact O-CB 3.31Å; V53-T57 WeakPolarHBondContact O-CB 3.49Å; V53-T57 PolarHBondContact O-N 2.9Å; V53-T57 PolarHBondContact O-OG1 3.39Å
54F93.6Very high90.3Very high70 Ų7038.5 Ų38.531%0.30719%0.194SC..Hα-helixtrans-76.2-37.1-172-74.7-72.6000113.4L50 A51 T57 G58 C495 S498 F499L50-F54 HydrophobicContact CD2-CE2 4.39Å; L50-F54 VanDerWaalsContact O-CD2 3.28Å; L50-F54 WeakPolarHBondContact O-CD2 3.44Å; L50-F54 PolarHBondContact O-N 3.36Å; A51-F54 PolarHBondContact O-N 3.12Å; F54-T57 PolarHBondContact O-N 3.45Å; F54-G58 PolarHBondContact O-N 3.07Å; F54-C495 HydrophobicContact CD1-CB 4.35Å; F54-C495 HydrophobicContact CD2-CB 3.56Å; F54-C495 HydrophobicContact CE1-CB 4.27Å; F54-C495 HydrophobicContact CE2-CB 3.49Å; F54-C495 VanDerWaalsContact CE2-CB 3.49Å; F54-C495 WeakPolarHBondContact CE2-SG 3.43Å; F54-C495 HydrophobicContact CG-CB 4.02Å; F54-C495 HydrophobicContact CZ-CB 3.86Å; F54-S498 WeakPolarHBondContact CB-OG 3.32Å; F54-F499 HydrophobicContact CB-CB 4.31Å; F54-F499 HydrophobicContact CD1-CB 4.32Å; F54-F499 WeakPolarHBondContact O-CA 3.48Å
55E92.3Very high90.3Very high0 Ų040.8 Ų40.80%020%0.202CC..Hα-helixtrans-67.5-42.5175.3-60.8-170.5-168.300111.6A51 T57 G58 S59 S498 H501 I543A51-E55 VanDerWaalsContact O-CB 3.32Å; A51-E55 WeakPolarHBondContact O-CB 3.13Å; A51-E55 VanDerWaalsContact O-CG 3.3Å; A51-E55 WeakPolarHBondContact O-CG 3.32Å; A51-E55 PolarHBondContact O-N 2.91Å; E55-T57 PolarHBondContact O-N 3.45Å; E55-G58 PolarHBondContact O-N 2.82Å; E55-S59 WeakPolarHBondContact O-CB 3.48Å; E55-S59 PolarHBondContact O-N 2.86Å; E55-S498 WeakPolarHBondContact CG-O 3.13Å; E55-S498 WeakPolarHBondContact CG-OG 3.44Å; E55-H501 VanDerWaalsContact CD-ND1 3.28Å; E55-H501 WeakPolarHBondContact CG-CE1 3.43Å; E55-H501 IonicContact OE1-CE1 2.84Å; E55-H501 PolarHBondContact OE1-CE1 3.48Å; E55-H501 IonicContact OE1-ND1 3.94Å; E55-H501 PolarHBondContact OE1-ND1 3.36Å; E55-H501 IonicContact OE1-NE2 2.79Å; E55-H501 IonicContact OE2-CE1 2.56Å; E55-H501 PolarHBondContact OE2-CE1 3.27Å; E55-H501 IonicContact OE2-ND1 3.25Å; E55-H501 PolarHBondContact OE2-ND1 2.79Å; E55-H501 IonicContact OE2-NE2 2.62Å; E55-H501 PolarHBondContact OE2-NE2 2.88Å; E55-I543 HydrophobicContact CB-CG2 4.42Å; E55-I543 WeakPolarHBondContact OE2-CG2 3.25Å
56T92.8Very high90Very high23 Ų2331.6 Ų31.614%0.14117%0.168CC..Hα-helixtrans-62.7-42.7173.8-56.40000111.4S52 V60 F537 C544S52-T56 VanDerWaalsContact O-CB 3.27Å; S52-T56 WeakPolarHBondContact O-CB 3.29Å; S52-T56 PolarHBondContact O-N 2.97Å; S52-T56 PolarHBondContact O-OG1 3.31Å; T56-V60 WeakPolarHBondContact O-CG2 3.47Å; T56-V60 PolarHBondContact O-N 3.29Å; T56-V60 VanDerWaalsContact O-N 3.12Å; T56-F537 HydrophobicContact CG2-CD2 3.8Å; T56-F537 HydrophobicContact CG2-CE2 3.76Å; T56-C544 PolarHBondContact OG1-SG 3.16Å
57T92.4Very high89.6Confident59 Ų5927 Ų2736%0.36215%0.147SC..Hα-helixtrans-66.6-42.5179-53.10000111.7V53 F54 E55 V60 L61 F499V53-T57 VanDerWaalsContact O-CB 3.31Å; V53-T57 WeakPolarHBondContact O-CB 3.49Å; V53-T57 PolarHBondContact O-N 2.9Å; V53-T57 PolarHBondContact O-OG1 3.39Å; F54-T57 PolarHBondContact O-N 3.45Å; E55-T57 PolarHBondContact O-N 3.45Å; T57-V60 PolarHBondContact O-N 3.36Å; T57-L61 HydrophobicContact CG2-CD1 3.83Å; T57-L61 HydrophobicContact CG2-CG 4.45Å; T57-L61 WeakPolarHBondContact O-CB 3.25Å; T57-L61 WeakPolarHBondContact O-CG 3.45Å; T57-L61 PolarHBondContact O-N 3.03Å; T57-F499 HydrophobicContact CG2-CD2 4.35Å; T57-F499 HydrophobicContact CG2-CE2 4.11Å
58G91.3Very high89.4Confident0 Ų029.4 Ų29.40%016%0.158CC..Hα-helixtrans-64-45.4176.200000112.6F54 E55 V60 L61 L62 F499 G503F54-G58 PolarHBondContact O-N 3.07Å; E55-G58 PolarHBondContact O-N 2.82Å; G58-V60 PolarHBondContact O-N 3.1Å; G58-L61 PolarHBondContact O-N 3.38Å; G58-L62 WeakPolarHBondContact O-CB 3.32Å; G58-L62 PolarHBondContact O-N 3.16Å; G58-F499 WeakPolarHBondContact CA-O 3.45Å; G58-G503 VanDerWaalsContact O-CA 3.31Å; G58-G503 WeakPolarHBondContact O-CA 3.37Å
59S90.9Very high89.2Confident0 Ų031 Ų310%017%0.168CC..Hα-helixtrans-52.4-51.9174.7160.70000112E55 G63 G502 V506 L536E55-S59 WeakPolarHBondContact O-CB 3.48Å; E55-S59 PolarHBondContact O-N 2.86Å; S59-G63 WeakPolarHBondContact O-CA 3.33Å; S59-G63 PolarHBondContact O-N 2.91Å; S59-G502 VanDerWaalsContact CA-O 3.28Å; S59-G502 WeakPolarHBondContact CA-O 3.18Å; S59-V506 WeakPolarHBondContact OG-CG2 3.32Å; S59-L536 PolarHBondContact OG-O 2.98Å
60V90.6Very high88.8Confident30 Ų3026.7 Ų26.718%0.18215%0.145CC..Hα-helixtrans-68.2-39.1-178.3169.60000112.6T56 T57 G58 V533 F537T56-V60 WeakPolarHBondContact O-CG2 3.47Å; T56-V60 PolarHBondContact O-N 3.29Å; T56-V60 VanDerWaalsContact O-N 3.12Å; T57-V60 PolarHBondContact O-N 3.36Å; G58-V60 PolarHBondContact O-N 3.1Å; V60-V533 HydrophobicContact CG1-CG1 3.81Å; V60-F537 HydrophobicContact CG2-CB 3.96Å; V60-F537 HydrophobicContact CG2-CD2 4.14Å
61L89.3Confident88.4Confident37 Ų3724.4 Ų24.419%0.19413%0.133CC..Hα-helixtrans-89-26.6-172.6-64.2-179000114.8T57 G58 I198 G202 F499T57-L61 HydrophobicContact CG2-CD1 3.83Å; T57-L61 HydrophobicContact CG2-CG 4.45Å; T57-L61 WeakPolarHBondContact O-CB 3.25Å; T57-L61 WeakPolarHBondContact O-CG 3.45Å; T57-L61 PolarHBondContact O-N 3.03Å; G58-L61 PolarHBondContact O-N 3.38Å; L61-I198 HydrophobicContact CB-CG1 4.22Å; L61-I198 HydrophobicContact CD1-CD1 3.87Å; L61-I198 HydrophobicContact CD1-CG1 4.07Å; L61-I198 HydrophobicContact CD1-CG2 4.27Å; L61-G202 WeakPolarHBondContact O-CA 3.37Å; L61-F499 HydrophobicContact CB-CE2 4.47Å; L61-F499 HydrophobicContact CB-CZ 4.46Å; L61-F499 HydrophobicContact CD1-CE2 4.23Å
62L86.8Confident87.9Confident2 Ų227.9 Ų27.91%0.0115%0.148CC..Hα-helixtrans-121.6-21.8-175.6-60.1-176.5000114.5G58 A64 S197 I198 F499G58-L62 WeakPolarHBondContact O-CB 3.32Å; G58-L62 PolarHBondContact O-N 3.16Å; L62-A64 PolarHBondContact O-N 2.87Å; L62-A64 VanDerWaalsContact O-N 3.11Å; L62-S197 WeakPolarHBondContact CD1-OG 3.3Å; L62-S197 WeakPolarHBondContact CD2-OG 3.32Å; L62-I198 HydrophobicContact CD2-CG1 4.39Å; L62-F499 HydrophobicContact CD1-CD1 4.3Å; L62-F499 HydrophobicContact CD1-CE1 3.5Å; L62-F499 HydrophobicContact CD1-CZ 3.85Å; L62-F499 HydrophobicContact CG-CE1 4.19Å; L62-F499 HydrophobicContact CG-CZ 4.02Å
63G85.5Confident87.3Confident1 Ų127 Ų271%0.0114%0.142CC..Hα-helixtrans-64.7-17.1-171.800000116.2S59 K65 G67 G503 S507S59-G63 WeakPolarHBondContact O-CA 3.33Å; S59-G63 PolarHBondContact O-N 2.91Å; G63-K65 VanDerWaalsContact C-N 3.34Å; G63-K65 PolarHBondContact O-N 3.08Å; G63-G67 PolarHBondContact O-N 2.69Å; G63-G503 VanDerWaalsContact CA-O 3.27Å; G63-G503 WeakPolarHBondContact CA-O 3.28Å; G63-S507 PolarHBondContact O-OG 2.88Å; G63-S507 VanDerWaalsContact O-OG 3.12Å
64A84.4Confident86.9Confident11 Ų1123.1 Ų23.19%0.09112%0.119CC..Hα-helixtrans-59.6-42.3-179.700000112.9L62 E68 V205 L536L62-A64 PolarHBondContact O-N 2.87Å; L62-A64 VanDerWaalsContact O-N 3.11Å; A64-E68 PolarHBondContact O-N 3Å; A64-V205 HydrophobicContact CB-CG2 4.23Å; A64-L536 HydrophobicContact CB-CD1 4.08Å
65K83.1Confident86.8Confident82 Ų8219.8 Ų19.836%0.35711%0.105SC..Hα-helixtrans-80.5-41.5-166.5-165.973.9-159158.60113.9G63 G67 E68 T201G63-K65 VanDerWaalsContact C-N 3.34Å; G63-K65 PolarHBondContact O-N 3.08Å; K65-G67 VanDerWaalsContact C-N 3.29Å; K65-E68 IonicContact NZ-OE2 2.9Å; K65-E68 PolarHBondContact NZ-OE2 3.07Å; K65-E68 WeakPolarHBondContact O-CB 3.45Å; K65-E68 PolarHBondContact O-N 3.3Å; K65-T201 HydrophobicContact CB-CG2 3.38Å; K65-T201 HydrophobicContact CG-CG2 3.8Å
66V81.8Confident86.6Confident0 Ų022 Ų220%012%0.117CC..Hα-helixtrans-69-34174.5179.20000110E68 T69 I70 S507 P590V66-E68 VanDerWaalsContact C-N 3.3Å; V66-E68 PolarHBondContact O-N 3.5Å; V66-T69 PolarHBondContact O-N 2.89Å; V66-T69 VanDerWaalsContact O-N 3.16Å; V66-I70 HydrophobicContact CG1-CD1 4.25Å; V66-I70 PolarHBondContact O-N 3.29Å; V66-I70 VanDerWaalsContact O-N 3.08Å; V66-S507 WeakPolarHBondContact CB-OG 3.4Å; V66-P590 HydrophobicContact CG1-CB 3.99Å
67G84.5Confident86.3Confident2 Ų221.6 Ų21.62%0.02111%0.114CC..Hα-helixtrans-62.3-29.517300000114.8G63 K65 R71 S507G63-G67 PolarHBondContact O-N 2.69Å; K65-G67 VanDerWaalsContact C-N 3.29Å; G67-R71 WeakPolarHBondContact O-CG 3.38Å; G67-R71 PolarHBondContact O-N 3.15Å; G67-R71 PolarHBondContact O-NE 3.47Å; G67-S507 PolarHBondContact N-OG 3.33Å
68E85.1Confident86.2Confident53 Ų5322.7 Ų22.725%0.24812%0.118CC..Hα-helixtrans-67.8-41.3171.5-74.5168.5-165.700112.1A64 K65 V66 R71 K72A64-E68 PolarHBondContact O-N 3Å; K65-E68 IonicContact NZ-OE2 2.9Å; K65-E68 PolarHBondContact NZ-OE2 3.07Å; K65-E68 WeakPolarHBondContact O-CB 3.45Å; K65-E68 PolarHBondContact O-N 3.3Å; V66-E68 VanDerWaalsContact C-N 3.3Å; V66-E68 PolarHBondContact O-N 3.5Å; E68-R71 WeakPolarHBondContact O-CG 3.32Å; E68-K72 PolarHBondContact O-N 3.48Å; E68-K72 VanDerWaalsContact O-N 3.13Å
69T84.6Confident86Confident33 Ų3326 Ų2620%0.20214%0.135CC..Hα-helixtrans-69.6-38179.2-55.50000112.1V66 R71 G73 G588 P590V66-T69 PolarHBondContact O-N 2.89Å; V66-T69 VanDerWaalsContact O-N 3.16Å; T69-R71 VanDerWaalsContact C-N 3.34Å; T69-R71 PolarHBondContact O-N 3.07Å; T69-G73 VanDerWaalsContact O-CA 3.26Å; T69-G73 WeakPolarHBondContact O-CA 3.26Å; T69-G73 PolarHBondContact O-N 3.09Å; T69-G588 WeakPolarHBondContact CB-O 3.28Å; T69-G588 WeakPolarHBondContact CG2-O 3.4Å; T69-G588 PolarHBondContact OG1-O 2.88Å; T69-P590 HydrophobicContact CG2-CG 4.31Å
70I85.3Confident85.9Confident3 Ų326 Ų262%0.01514%0.135CC..Hα-helixtrans-62.8-41.8177.8-71173.6000111.1V66 I74 I118 S507 N508 P590V66-I70 HydrophobicContact CG1-CD1 4.25Å; V66-I70 PolarHBondContact O-N 3.29Å; V66-I70 VanDerWaalsContact O-N 3.08Å; I70-I74 HydrophobicContact CG2-CD1 4.47Å; I70-I74 WeakPolarHBondContact O-CD1 3.25Å; I70-I118 HydrophobicContact CD1-CG2 4.35Å; I70-I118 HydrophobicContact CG2-CG1 4.11Å; I70-S507 WeakPolarHBondContact CD1-O 3.37Å; I70-N508 WeakPolarHBondContact CD1-OD1 3.43Å; I70-P590 HydrophobicContact CD1-CB 4.4Å; I70-P590 HydrophobicContact CG1-CB 4.17Å
71R84Confident85.6Confident3 Ų328.5 Ų28.51%0.01115%0.147CC..Hα-helixtrans-79.1-31.8-177.674.3178.774.8138.49.6115.5G67 E68 T69 V514 A515 Q527 T531G67-R71 WeakPolarHBondContact O-CG 3.38Å; G67-R71 PolarHBondContact O-N 3.15Å; G67-R71 PolarHBondContact O-NE 3.47Å; E68-R71 WeakPolarHBondContact O-CG 3.32Å; T69-R71 VanDerWaalsContact C-N 3.34Å; T69-R71 PolarHBondContact O-N 3.07Å; R71-V514 VanDerWaalsContact NH2-CG1 3.33Å; R71-A515 HydrophobicContact CB-CB 3.84Å; R71-Q527 VanDerWaalsContact CB-OE1 3.26Å; R71-T531 PolarHBondContact NH1-OG1 2.89Å; R71-T531 PolarHBondContact NH2-OG1 3Å
72K80.2Confident85.4Confident73 Ų7334.5 Ų34.532%0.31718%0.179SC..Hα-helixtrans-109.6-22.3-176.1-78.5168.9-172.5174.60115.4E68 Q527E68-K72 PolarHBondContact O-N 3.48Å; E68-K72 VanDerWaalsContact O-N 3.13Å; K72-Q527 WeakPolarHBondContact CE-O 3.37Å; K72-Q527 PolarHBondContact NZ-O 3.38Å
73G80.8Confident85.5Confident3 Ų336.9 Ų36.93%0.03119%0.194CC..Hα-helixtrans-85.6-25.2-169.400000114.3T69 Q139T69-G73 VanDerWaalsContact O-CA 3.26Å; T69-G73 WeakPolarHBondContact O-CA 3.26Å; T69-G73 PolarHBondContact O-N 3.09Å; G73-Q139 WeakPolarHBondContact O-CB 3.38Å; G73-Q139 VanDerWaalsContact O-CD 3.24Å; G73-Q139 PolarHBondContact O-OE1 3.48Å
74I86.8Confident85.7Confident0 Ų038 Ų380%020%0.2CC..SBendtrans-90-37.8-171-51.2171.8000111.7I70 V119 T122 I123 Q136 I143I70-I74 HydrophobicContact CG2-CD1 4.47Å; I70-I74 WeakPolarHBondContact O-CD1 3.25Å; I74-V119 HydrophobicContact CD1-CB 4.38Å; I74-V119 HydrophobicContact CD1-CG2 3.82Å; I74-T122 HydrophobicContact CB-CG2 3.81Å; I74-T122 HydrophobicContact CD1-CG2 4.05Å; I74-T122 HydrophobicContact CG2-CG2 3.61Å; I74-I123 HydrophobicContact CG2-CG1 4.19Å; I74-Q136 PolarHBondContact O-N 3.22Å; I74-I143 HydrophobicContact CG1-CD1 4.09Å
75I90.1Very high85.9Confident1 Ų138.8 Ų38.81%0.00521%0.205CC..BIsolated β-bridgetrans-121.1150.8-173.159.4179.3000111.7V77 L87 T122 F125 G134 Q136I75-V77 HydrophobicContact CD1-CG1 4.29Å; I75-V77 HydrophobicContact CG1-CG1 4.09Å; I75-V77 PolarHBondContact O-N 3.2Å; I75-L87 HydrophobicContact CD1-CD1 3.74Å; I75-T122 HydrophobicContact CG2-CG2 3.66Å; I75-F125 HydrophobicContact CD1-CE2 4.36Å; I75-F125 HydrophobicContact CD1-CZ 3.78Å; I75-G134 CarbonylContact C-O 3.59Å; I75-G134 WeakPolarHBondContact CA-O 3.18Å; I75-G134 WeakPolarHBondContact CB-O 3.45Å; I75-Q136 PolarHBondContact O-NE2 2.91Å
76D88.4Confident86.4Confident47 Ų4735.9 Ų35.925%0.25119%0.193SC..  trans-8696.5169.1-170.7-0.9000110.1N78 L79 G134 Q136D76-N78 PolarHBondContact O-N 2.92Å; D76-N78 WeakPolarHBondContact OD1-CB 3.3Å; D76-N78 PolarHBondContact OD1-N 2.82Å; D76-N78 VanDerWaalsContact OD1-N 3.07Å; D76-N78 PolarHBondContact OD1-ND2 2.88Å; D76-L79 HydrophobicContact CB-CD1 4.03Å; D76-L79 HydrophobicContact CB-CG 4.28Å; D76-L79 PolarHBondContact O-N 3.39Å; D76-G134 PolarHBondContact N-O 2.68Å; D76-Q136 HydrophobicContact CB-CG 4.21Å
77V87.5Confident86.9Confident13 Ų1335.9 Ų35.98%0.07919%0.193CC..G310 helixtrans-59.3-28.7179.4-65.20000112.3I75 L79 Y80 L87 V525 M526I75-V77 HydrophobicContact CD1-CG1 4.29Å; I75-V77 HydrophobicContact CG1-CG1 4.09Å; I75-V77 PolarHBondContact O-N 3.2Å; V77-L79 PolarHBondContact O-N 3.05Å; V77-L79 VanDerWaalsContact O-N 3.11Å; V77-Y80 PolarHBondContact O-N 3.01Å; V77-L87 HydrophobicContact CG1-CD2 4.4Å; V77-V525 HydrophobicContact CB-CG1 3.77Å; V77-V525 WeakPolarHBondContact O-CG1 3.07Å; V77-M526 HydrophobicContact CG2-CE 3.81Å
78N88.4Confident87.3Confident83 Ų8335.8 Ų35.844%0.44419%0.192SC..G310 helixtrans-60.7-28.4-177.2-62.3-78.3000113.5D76 Y80 N81 M526D76-N78 PolarHBondContact O-N 2.92Å; D76-N78 WeakPolarHBondContact OD1-CB 3.3Å; D76-N78 PolarHBondContact OD1-N 2.82Å; D76-N78 VanDerWaalsContact OD1-N 3.07Å; D76-N78 PolarHBondContact OD1-ND2 2.88Å; N78-Y80 PolarHBondContact O-N 3.42Å; N78-N81 WeakPolarHBondContact O-CB 3.44Å; N78-N81 VanDerWaalsContact O-CG 3.27Å; N78-N81 PolarHBondContact O-N 3.17Å; N78-N81 PolarHBondContact O-ND2 3.46Å; N78-M526 WeakPolarHBondContact OD1-CE 3.39Å
79L88.3Confident87.8Confident70 Ų7033.3 Ų33.337%0.36618%0.18SC..G310 helixtrans-67.1-16.9178.7-61.6173.4000112.8D76 V77 I130 Q133D76-L79 HydrophobicContact CB-CD1 4.03Å; D76-L79 HydrophobicContact CB-CG 4.28Å; D76-L79 PolarHBondContact O-N 3.39Å; V77-L79 PolarHBondContact O-N 3.05Å; V77-L79 VanDerWaalsContact O-N 3.11Å; L79-I130 HydrophobicContact CB-CG2 4.24Å; L79-I130 HydrophobicContact CD1-CG2 3.91Å; L79-Q133 HydrophobicContact CD1-CB 4.45Å; L79-Q133 VanDerWaalsContact CD1-O 3.3Å; L79-Q133 WeakPolarHBondContact CD1-O 3.36Å
80Y87.9Confident88.3Confident0 Ų031.7 Ų31.70%017%0.171CC..G310 helixtrans-96.34.8179.1-60.9-96.2000113.7V77 N78 N82 T83 V84 L86 L87 S126 A129 I130V77-Y80 PolarHBondContact O-N 3.01Å; N78-Y80 PolarHBondContact O-N 3.42Å; Y80-N82 PolarHBondContact O-N 2.99Å; Y80-T83 CarbonylContact O-C 3.28Å; Y80-T83 VanDerWaalsContact O-C 3.28Å; Y80-T83 PolarHBondContact O-N 3.3Å; Y80-V84 PolarHBondContact O-N 2.95Å; Y80-L86 HydrophobicContact CD1-CB 4.5Å; Y80-L86 HydrophobicContact CD1-CD2 4.42Å; Y80-L86 HydrophobicContact CE1-CD2 4.3Å; Y80-L86 HydrophobicContact CE1-CG 4.47Å; Y80-L87 HydrophobicContact CD1-CB 3.78Å; Y80-L87 HydrophobicContact CD1-CD1 4.29Å; Y80-L87 HydrophobicContact CD2-CD1 4.12Å; Y80-L87 HydrophobicContact CE1-CB 4.42Å; Y80-L87 HydrophobicContact CE1-CD1 4.32Å; Y80-L87 HydrophobicContact CE2-CD1 4.17Å; Y80-L87 HydrophobicContact CG-CB 3.91Å; Y80-L87 HydrophobicContact CG-CD1 4.17Å; Y80-L87 HydrophobicContact CG-CD2 4.37Å; Y80-L87 HydrophobicContact CG-CG 4.38Å; Y80-S126 PolarHBondContact OH-OG 3.01Å; Y80-A129 HydrophobicContact CE1-CB 3.98Å; Y80-I130 HydrophobicContact CD1-CD1 4.4Å; Y80-I130 HydrophobicContact CD1-CG1 4.21Å; Y80-I130 HydrophobicContact CE1-CD1 4.18Å; Y80-I130 HydrophobicContact CE1-CG1 3.58Å; Y80-I130 HydrophobicContact CE2-CG1 3.94Å; Y80-I130 VanDerWaalsContact CZ-CG1 3.42Å
81N85.9Confident88.8Confident81 Ų8131.8 Ų31.843%0.43317%0.171SC..THydrogen-bonded Turntrans-53.9-30.2-177.6-82.1-14.5000114.1N78N78-N81 WeakPolarHBondContact O-CB 3.44Å; N78-N81 VanDerWaalsContact O-CG 3.27Å; N78-N81 PolarHBondContact O-N 3.17Å; N78-N81 PolarHBondContact O-ND2 3.46Å
82N83.8Confident89.4Confident163 Ų16331.9 Ų31.987%0.87217%0.172SC*.THydrogen-bonded Turntrans-96.1-3.6177.6-60.5-35.6000113.5Y80Y80-N82 PolarHBondContact O-N 2.99Å
83T88.4Confident90.2Very high53 Ų5328.4 Ų28.433%0.32516%0.157SC..  trans-139.545.5-169.4500000111.3Y80 P85 L86 L87Y80-T83 CarbonylContact O-C 3.28Å; Y80-T83 VanDerWaalsContact O-C 3.28Å; Y80-T83 PolarHBondContact O-N 3.3Å; T83-P85 VanDerWaalsContact C-CD 3.41Å; T83-P85 VanDerWaalsContact C-N 3.33Å; T83-L86 WeakPolarHBondContact O-CA 3.25Å; T83-L86 WeakPolarHBondContact O-CB 3.27Å; T83-L86 PolarHBondContact O-N 3.33Å; T83-L87 PolarHBondContact O-N 3.33Å
84V90.1Very high91Very high23 Ų2328.3 Ų28.314%0.13916%0.156CC..Hα-helixtrans-47.6-44.4-179.4-165.90000113.8M3 Y80 L86 L87 M88 I519 V525M3-V84 HydrophobicContact CE-CG1 4.16Å; Y80-V84 PolarHBondContact O-N 2.95Å; V84-L86 VanDerWaalsContact C-N 3.27Å; V84-L86 PolarHBondContact O-N 3.33Å; V84-L87 PolarHBondContact O-N 3.24Å; V84-M88 PolarHBondContact O-N 2.98Å; V84-I519 HydrophobicContact CG1-CG2 3.3Å; V84-V525 HydrophobicContact CB-CG2 4.31Å; V84-V525 HydrophobicContact CG1-CG2 4.16Å; V84-V525 HydrophobicContact CG2-CG2 3.77Å
85P90.1Very high91.4Very high28 Ų2828.3 Ų28.318%0.18216%0.156CC..Hα-helixtrans-66.2-26.7178.6-20.935.1000113.6Y6 M9 T83 M88 A89 L648Y6-P85 HydrophobicContact CD1-CB 4.3Å; Y6-P85 HydrophobicContact CD2-CB 4.25Å; Y6-P85 HydrophobicContact CD2-CG 3.95Å; Y6-P85 HydrophobicContact CE1-CB 3.99Å; Y6-P85 HydrophobicContact CE1-CG 4.28Å; Y6-P85 HydrophobicContact CE2-CB 3.93Å; Y6-P85 HydrophobicContact CE2-CG 3.37Å; Y6-P85 HydrophobicContact CG-CB 4.43Å; M9-P85 HydrophobicContact CE-CB 4.31Å; T83-P85 VanDerWaalsContact C-CD 3.41Å; T83-P85 VanDerWaalsContact C-N 3.33Å; P85-M88 PolarHBondContact O-N 3.16Å; P85-A89 WeakPolarHBondContact O-CB 3.27Å; P85-A89 PolarHBondContact O-N 3.49Å; P85-L648 HydrophobicContact CB-CD2 4.23Å
86L92.4Very high91.8Very high22 Ų2229.7 Ų29.712%0.11516%0.164CC..Hα-helixtrans-69.1-37176-167.672.2000111.1Y80 T83 V84 G90 A129 I130 M640 M644 L648Y80-L86 HydrophobicContact CD1-CB 4.5Å; Y80-L86 HydrophobicContact CD1-CD2 4.42Å; Y80-L86 HydrophobicContact CE1-CD2 4.3Å; Y80-L86 HydrophobicContact CE1-CG 4.47Å; T83-L86 WeakPolarHBondContact O-CA 3.25Å; T83-L86 WeakPolarHBondContact O-CB 3.27Å; T83-L86 PolarHBondContact O-N 3.33Å; V84-L86 VanDerWaalsContact C-N 3.27Å; V84-L86 PolarHBondContact O-N 3.33Å; L86-G90 PolarHBondContact O-N 3Å; L86-A129 HydrophobicContact CD2-CB 4.07Å; L86-A129 HydrophobicContact CG-CB 4.24Å; L86-I130 HydrophobicContact CD2-CD1 4.45Å; L86-M640 HydrophobicContact CD1-CE 3.43Å; L86-M640 VanDerWaalsContact CD1-CE 3.43Å; L86-M640 HydrophobicContact CG-CE 3.63Å; L86-M640 VanDerWaalsContact O-CE 3.23Å; L86-M640 WeakPolarHBondContact O-CE 3.38Å; L86-M644 HydrophobicContact CD1-CB 4.14Å; L86-M644 HydrophobicContact CD1-CG 3.78Å; L86-M644 HydrophobicContact CD1-SD 4.02Å; L86-L648 HydrophobicContact CD1-CD1 4.17Å
87L92.6Very high92.2Very high0 Ų027.4 Ų27.40%015%0.152CC..Hα-helixtrans-68.5-41.4173.8-175.558.6000111.3I75 V77 Y80 T83 V84 A89 G90 E91 F125 I519 V525I75-L87 HydrophobicContact CD1-CD1 3.74Å; V77-L87 HydrophobicContact CG1-CD2 4.4Å; Y80-L87 HydrophobicContact CD1-CB 3.78Å; Y80-L87 HydrophobicContact CD1-CD1 4.29Å; Y80-L87 HydrophobicContact CD2-CD1 4.12Å; Y80-L87 HydrophobicContact CE1-CB 4.42Å; Y80-L87 HydrophobicContact CE1-CD1 4.32Å; Y80-L87 HydrophobicContact CE2-CD1 4.17Å; Y80-L87 HydrophobicContact CG-CB 3.91Å; Y80-L87 HydrophobicContact CG-CD1 4.17Å; Y80-L87 HydrophobicContact CG-CD2 4.37Å; Y80-L87 HydrophobicContact CG-CG 4.38Å; T83-L87 PolarHBondContact O-N 3.33Å; V84-L87 PolarHBondContact O-N 3.24Å; L87-A89 VanDerWaalsContact C-N 3.35Å; L87-A89 PolarHBondContact O-N 2.78Å; L87-G90 CarbonylContact O-C 3.5Å; L87-G90 WeakPolarHBondContact O-CA 3.46Å; L87-G90 PolarHBondContact O-N 2.93Å; L87-E91 PolarHBondContact O-N 3.39Å; L87-F125 HydrophobicContact CD1-CE2 4.36Å; L87-F125 HydrophobicContact CD1-CZ 4.44Å; L87-I519 HydrophobicContact CB-CD1 4.47Å; L87-I519 HydrophobicContact CD2-CD1 3.6Å; L87-I519 HydrophobicContact CD2-CG1 4.48Å; L87-I519 HydrophobicContact CG-CD1 3.75Å; L87-V525 HydrophobicContact CD2-CG1 3.62Å
88M93.8Very high92.6Very high0 Ų026.8 Ų26.80%015%0.148CC..Hα-helixtrans-58.3-45.3173.8-66.3-178.270.900112.1M3 M9 V10 V84 P85 G90 E91 V92 L516 I519 Y520M3-M88 HydrophobicContact CE-CE 4.46Å; M3-M88 HydrophobicContact CE-SD 3.48Å; M3-M88 WeakPolarHBondContact CE-SD 3.27Å; M9-M88 HydrophobicContact CB-CE 4.46Å; M9-M88 HydrophobicContact CE-CB 3.65Å; M9-M88 HydrophobicContact CE-CE 4.27Å; M9-M88 HydrophobicContact CE-CG 4.5Å; M9-M88 HydrophobicContact CE-SD 4.14Å; M9-M88 HydrophobicContact SD-CB 4.13Å; V10-M88 HydrophobicContact CG2-CE 3.78Å; V84-M88 PolarHBondContact O-N 2.98Å; P85-M88 PolarHBondContact O-N 3.16Å; M88-G90 VanDerWaalsContact C-N 3.26Å; M88-G90 PolarHBondContact O-N 3.15Å; M88-E91 PolarHBondContact O-N 2.85Å; M88-V92 WeakPolarHBondContact O-CG2 3.44Å; M88-V92 PolarHBondContact O-N 3.37Å; M88-V92 VanDerWaalsContact O-N 3.13Å; M88-L516 HydrophobicContact CB-CD1 3.58Å; M88-L516 HydrophobicContact CE-CD1 3.63Å; M88-L516 HydrophobicContact CG-CD1 3.85Å; M88-I519 HydrophobicContact CG-CB 4.3Å; M88-I519 HydrophobicContact CG-CG2 3.58Å; M88-I519 HydrophobicContact SD-CG2 4.03Å; M88-Y520 HydrophobicContact CE-CD2 4.15Å
89A94.9Very high92.9Very high0 Ų023 Ų230%013%0.129CC..Hα-helixtrans-62.1-34.1172.900000112.5M9 P85 L87 S93 M640 L643 L648M9-A89 HydrophobicContact SD-CB 4.07Å; P85-A89 WeakPolarHBondContact O-CB 3.27Å; P85-A89 PolarHBondContact O-N 3.49Å; L87-A89 VanDerWaalsContact C-N 3.35Å; L87-A89 PolarHBondContact O-N 2.78Å; A89-S93 WeakPolarHBondContact O-CB 3.43Å; A89-S93 PolarHBondContact O-N 2.89Å; A89-S93 PolarHBondContact O-OG 3.3Å; A89-M640 HydrophobicContact CB-CE 4.35Å; A89-M640 HydrophobicContact CB-SD 4.14Å; A89-L643 HydrophobicContact CB-CB 4.06Å; A89-L643 HydrophobicContact CB-CD1 4.05Å; A89-L648 HydrophobicContact CB-CD1 3.73Å
90G95.3Very high93.3Very high0 Ų022.2 Ų22.20%013%0.126CC..Hα-helixtrans-60.4-51.1172.200000113.2L86 L87 M88 V92 S93 A94 F125L86-G90 PolarHBondContact O-N 3Å; L87-G90 CarbonylContact O-C 3.5Å; L87-G90 WeakPolarHBondContact O-CA 3.46Å; L87-G90 PolarHBondContact O-N 2.93Å; M88-G90 VanDerWaalsContact C-N 3.26Å; M88-G90 PolarHBondContact O-N 3.15Å; G90-V92 PolarHBondContact O-N 3.06Å; G90-S93 CarbonylContact O-C 3.56Å; G90-S93 WeakPolarHBondContact O-CA 3.44Å; G90-S93 WeakPolarHBondContact O-CB 3.41Å; G90-S93 PolarHBondContact O-N 2.78Å; G90-S93 VanDerWaalsContact O-N 3.11Å; G90-A94 PolarHBondContact O-N 3.45Å; G90-F125 VanDerWaalsContact CA-CE2 3.48Å; G90-F125 WeakPolarHBondContact O-CD1 3.21Å; G90-F125 WeakPolarHBondContact O-CE1 3.43Å
91E95.2Very high93.6Very high4 Ų423.7 Ų23.72%0.01913%0.132CC..Hα-helixtrans-60.9-42177.5-60-59.8168.400112L87 M88 A94 M95 P512 A515 L516L87-E91 PolarHBondContact O-N 3.39Å; M88-E91 PolarHBondContact O-N 2.85Å; E91-A94 PolarHBondContact O-N 3.41Å; E91-M95 WeakPolarHBondContact O-CG 3.18Å; E91-M95 PolarHBondContact O-N 2.91Å; E91-P512 HydrophobicContact CB-CB 4.38Å; E91-P512 WeakPolarHBondContact OE2-CA 3.34Å; E91-P512 WeakPolarHBondContact OE2-CB 3.26Å; E91-A515 HydrophobicContact CG-CB 3.93Å; E91-A515 WeakPolarHBondContact OE1-CB 3.35Å; E91-L516 HydrophobicContact CB-CB 4.14Å
92V96.6Very high93.8Very high6 Ų619.8 Ų19.84%0.03611%0.111CC..Hα-helixtrans-61.1-45172.9174.80000110.8M9 V12 M88 G90 A94 M95 V96 L516 L643M9-V92 HydrophobicContact CB-CG2 4.39Å; V12-V92 HydrophobicContact CG1-CG1 4.2Å; M88-V92 WeakPolarHBondContact O-CG2 3.44Å; M88-V92 PolarHBondContact O-N 3.37Å; M88-V92 VanDerWaalsContact O-N 3.13Å; G90-V92 PolarHBondContact O-N 3.06Å; V92-A94 VanDerWaalsContact C-N 3.33Å; V92-A94 PolarHBondContact O-N 2.94Å; V92-M95 HydrophobicContact CG2-CE 4.45Å; V92-M95 PolarHBondContact O-N 3.36Å; V92-V96 HydrophobicContact CG1-CG2 4.36Å; V92-V96 WeakPolarHBondContact O-CG2 3.32Å; V92-V96 PolarHBondContact O-N 3.14Å; V92-L516 HydrophobicContact CG2-CD1 4.39Å; V92-L516 HydrophobicContact CG2-CD2 3.78Å; V92-L643 HydrophobicContact CG1-CD1 4.48Å
93S97.1Very high94.2Very high0 Ų014.4 Ų14.40%08%0.082CC..Hα-helixtrans-61.5-39176.7-58.60000112.5A89 G90 G97 S636 M640 L643A89-S93 WeakPolarHBondContact O-CB 3.43Å; A89-S93 PolarHBondContact O-N 2.89Å; A89-S93 PolarHBondContact O-OG 3.3Å; G90-S93 CarbonylContact O-C 3.56Å; G90-S93 WeakPolarHBondContact O-CA 3.44Å; G90-S93 WeakPolarHBondContact O-CB 3.41Å; G90-S93 PolarHBondContact O-N 2.78Å; G90-S93 VanDerWaalsContact O-N 3.11Å; S93-G97 PolarHBondContact O-N 3.46Å; S93-S636 WeakPolarHBondContact O-CB 3.46Å; S93-S636 PolarHBondContact O-OG 2.98Å; S93-M640 VanDerWaalsContact OG-CA 3.3Å; S93-M640 WeakPolarHBondContact OG-CA 3.37Å; S93-M640 PolarHBondContact OG-N 3.3Å; S93-L643 WeakPolarHBondContact OG-CD1 3.17Å
94A96.8Very high94.3Very high0 Ų014.8 Ų14.80%08%0.082CC..Hα-helixtrans-63.5-44.7177.600000111.1G90 E91 V92 S98 I118 A121 F125 S636G90-A94 PolarHBondContact O-N 3.45Å; E91-A94 PolarHBondContact O-N 3.41Å; V92-A94 VanDerWaalsContact C-N 3.33Å; V92-A94 PolarHBondContact O-N 2.94Å; A94-S98 VanDerWaalsContact O-CB 3.31Å; A94-S98 WeakPolarHBondContact O-CB 3.39Å; A94-S98 PolarHBondContact O-N 2.96Å; A94-S98 VanDerWaalsContact O-N 3.08Å; A94-S98 PolarHBondContact O-OG 2.87Å; A94-I118 HydrophobicContact CB-CD1 3.85Å; A94-A121 HydrophobicContact CB-CB 4.47Å; A94-A121 WeakPolarHBondContact O-CB 3.25Å; A94-F125 HydrophobicContact CB-CD1 3.8Å; A94-F125 HydrophobicContact CB-CE1 3.81Å; A94-S636 WeakPolarHBondContact CA-OG 3.29Å; A94-S636 PolarHBondContact N-OG 3.48Å
95M97Very high94.1Very high0 Ų013.7 Ų13.70%08%0.075CC..Hα-helixtrans-66.2-45.1177.4-66.4-174.6-73.600112I16 A17 L20 E91 V92 S98 A99 P512 L513 L516I16-M95 HydrophobicContact CG2-CB 3.69Å; A17-M95 HydrophobicContact CB-SD 3.71Å; L20-M95 HydrophobicContact CD2-CB 4.08Å; L20-M95 HydrophobicContact CD2-CG 4.13Å; E91-M95 WeakPolarHBondContact O-CG 3.18Å; E91-M95 PolarHBondContact O-N 2.91Å; V92-M95 HydrophobicContact CG2-CE 4.45Å; V92-M95 PolarHBondContact O-N 3.36Å; M95-S98 PolarHBondContact O-N 2.87Å; M95-A99 VanDerWaalsContact O-CB 3.27Å; M95-A99 WeakPolarHBondContact O-CB 3.34Å; M95-A99 PolarHBondContact O-N 3.49Å; M95-P512 HydrophobicContact CG-CB 3.55Å; M95-P512 HydrophobicContact CG-CG 4.02Å; M95-P512 HydrophobicContact SD-CB 3.94Å; M95-L513 HydrophobicContact SD-CB 4.05Å; M95-L516 HydrophobicContact CE-CD2 3.96Å
96V97.4Very high93.7Very high30 Ų3012.5 Ų12.518%0.1827%0.067CC..Hα-helixtrans-63.3-49.9178.3177.20000110.8I16 V92 S98 A99 V100 V639I16-V96 HydrophobicContact CB-CG2 4.37Å; I16-V96 HydrophobicContact CD1-CG2 4.13Å; I16-V96 HydrophobicContact CG1-CG2 3.87Å; I16-V96 HydrophobicContact CG2-CB 4.32Å; I16-V96 HydrophobicContact CG2-CG2 3.67Å; V92-V96 HydrophobicContact CG1-CG2 4.36Å; V92-V96 WeakPolarHBondContact O-CG2 3.32Å; V92-V96 PolarHBondContact O-N 3.14Å; V96-S98 VanDerWaalsContact C-N 3.27Å; V96-S98 PolarHBondContact O-N 2.88Å; V96-A99 PolarHBondContact O-N 3.15Å; V96-V100 HydrophobicContact CG1-CG2 4.11Å; V96-V100 WeakPolarHBondContact O-CG2 3.36Å; V96-V100 PolarHBondContact O-N 3.24Å; V96-V639 HydrophobicContact CB-CG1 4.34Å; V96-V639 HydrophobicContact CB-CG2 4.23Å; V96-V639 HydrophobicContact CG1-CG2 3.72Å
97G97Very high93.3Very high0 Ų018.9 Ų18.90%09%0.094CC..Hα-helixtrans-59.8-38.8-179.200000112.9S93 W101S93-G97 PolarHBondContact O-N 3.46Å; G97-W101 PolarHBondContact O-N 3.49Å
98S95.6Very high92.8Very high0 Ų023.6 Ų23.60%012%0.119CC..Hα-helixtrans-67-47.1173.8-58.10000112.4A94 M95 V96 Q102 C117 I118 A121A94-S98 VanDerWaalsContact O-CB 3.31Å; A94-S98 WeakPolarHBondContact O-CB 3.39Å; A94-S98 PolarHBondContact O-N 2.96Å; A94-S98 VanDerWaalsContact O-N 3.08Å; A94-S98 PolarHBondContact O-OG 2.87Å; M95-S98 PolarHBondContact O-N 2.87Å; V96-S98 VanDerWaalsContact C-N 3.27Å; V96-S98 PolarHBondContact O-N 2.88Å; S98-Q102 VanDerWaalsContact O-CB 3.31Å; S98-Q102 WeakPolarHBondContact O-CB 3.38Å; S98-Q102 VanDerWaalsContact O-CG 3.27Å; S98-Q102 WeakPolarHBondContact O-CG 3.49Å; S98-Q102 PolarHBondContact O-N 2.82Å; S98-C117 PolarHBondContact OG-O 3.46Å; S98-I118 VanDerWaalsContact OG-CA 3.27Å; S98-I118 WeakPolarHBondContact OG-CA 3.43Å; S98-I118 WeakPolarHBondContact OG-CD1 3.3Å; S98-I118 PolarHBondContact OG-N 3.24Å; S98-A121 WeakPolarHBondContact OG-CB 3.38Å
99A95.7Very high92Very high4 Ų429.9 Ų29.93%0.03315%0.146CC..Hα-helixtrans-64.1-46.2-177.300000111.4I19 L20 M95 V96 Q102 L103I19-A99 HydrophobicContact CG2-CB 4.26Å; L20-A99 HydrophobicContact CB-CB 4.12Å; L20-A99 HydrophobicContact CD1-CB 4.28Å; M95-A99 VanDerWaalsContact O-CB 3.27Å; M95-A99 WeakPolarHBondContact O-CB 3.34Å; M95-A99 PolarHBondContact O-N 3.49Å; V96-A99 PolarHBondContact O-N 3.15Å; A99-Q102 PolarHBondContact O-N 2.77Å; A99-L103 WeakPolarHBondContact O-CB 3.3Å; A99-L103 VanDerWaalsContact O-CG 3.24Å; A99-L103 WeakPolarHBondContact O-CG 3.46Å; A99-L103 PolarHBondContact O-N 3.1Å
100V95.4Very high91.1Very high52 Ų5233.4 Ų33.432%0.31516%0.164SC..Hα-helixtrans-59.4-50.6178.9171.90000111V96 Q102 I104 F635V96-V100 HydrophobicContact CG1-CG2 4.11Å; V96-V100 WeakPolarHBondContact O-CG2 3.36Å; V96-V100 PolarHBondContact O-N 3.24Å; V100-Q102 PolarHBondContact O-N 2.81Å; V100-I104 HydrophobicContact CG1-CD1 3.76Å; V100-I104 WeakPolarHBondContact O-CD1 3.28Å; V100-I104 VanDerWaalsContact O-CG1 3.24Å; V100-I104 WeakPolarHBondContact O-CG1 3.49Å; V100-I104 PolarHBondContact O-N 2.92Å; V100-I104 VanDerWaalsContact O-N 3.1Å; V100-F635 HydrophobicContact CG1-CD1 4.04Å; V100-F635 HydrophobicContact CG1-CD2 4.3Å; V100-F635 HydrophobicContact CG1-CE1 3.94Å; V100-F635 HydrophobicContact CG1-CE2 4.2Å; V100-F635 HydrophobicContact CG1-CG 4.23Å; V100-F635 HydrophobicContact CG1-CZ 4.02Å
101W94.6Very high90Very high31 Ų3135 Ų3512%0.11718%0.175CC..Hα-helixtrans-66.3-39.5179.7-178.7-117.5000112.6G97 I104 A105 V627 T628 V631 A632 F635G97-W101 PolarHBondContact O-N 3.49Å; W101-I104 HydrophobicContact CE3-CB 4.34Å; W101-I104 HydrophobicContact CE3-CG2 4.16Å; W101-I104 HydrophobicContact CZ3-CG2 4.02Å; W101-I104 PolarHBondContact O-N 2.84Å; W101-A105 WeakPolarHBondContact O-CB 3.19Å; W101-A105 PolarHBondContact O-N 2.91Å; W101-V627 HydrophobicContact CZ2-CG1 4.36Å; W101-T628 PolarHBondContact NE1-OG1 2.96Å; W101-T628 VanDerWaalsContact NE1-OG1 3.17Å; W101-V631 HydrophobicContact CD2-CB 4.23Å; W101-V631 HydrophobicContact CD2-CG1 3.67Å; W101-V631 HydrophobicContact CE3-CB 4.32Å; W101-V631 HydrophobicContact CE3-CG1 3.36Å; W101-V631 HydrophobicContact CG-CG1 4.31Å; W101-V631 HydrophobicContact CH2-CG1 4.12Å; W101-V631 HydrophobicContact CZ2-CB 4.46Å; W101-V631 HydrophobicContact CZ2-CG1 4.4Å; W101-V631 HydrophobicContact CZ3-CB 4.47Å; W101-V631 HydrophobicContact CZ3-CG1 3.62Å; W101-A632 HydrophobicContact CB-CB 4.29Å; W101-A632 HydrophobicContact CG-CB 4.48Å; W101-F635 HydrophobicContact CB-CD2 4.28Å; W101-F635 HydrophobicContact CE3-CE2 4.18Å
102Q91.2Very high89.5Confident0 Ų034.9 Ų34.90%018%0.175CC..Hα-helixtrans-64.6-42.1178.3-74.4-171.247.900113.1L20 V24 N27 S98 A99 V100 A105 S106 I112 C117L20-Q102 VanDerWaalsContact CD1-NE2 3.33Å; V24-Q102 VanDerWaalsContact CG2-OE1 3.29Å; N27-Q102 PolarHBondContact ND2-O 3.47Å; N27-Q102 VanDerWaalsContact ND2-O 3.1Å; S98-Q102 VanDerWaalsContact O-CB 3.31Å; S98-Q102 WeakPolarHBondContact O-CB 3.38Å; S98-Q102 VanDerWaalsContact O-CG 3.27Å; S98-Q102 WeakPolarHBondContact O-CG 3.49Å; S98-Q102 PolarHBondContact O-N 2.82Å; A99-Q102 PolarHBondContact O-N 2.77Å; V100-Q102 PolarHBondContact O-N 2.81Å; Q102-A105 PolarHBondContact O-N 3.4Å; Q102-S106 PolarHBondContact O-N 3.49Å; Q102-S106 PolarHBondContact O-OG 2.92Å; Q102-I112 HydrophobicContact CB-CD1 4.4Å; Q102-I112 HydrophobicContact CG-CD1 3.9Å; Q102-C117 HydrophobicContact CG-CB 4.02Å; Q102-C117 WeakPolarHBondContact CG-SG 3.04Å
103L91.1Very high89.1Confident49 Ų4934.6 Ų34.626%0.25717%0.173SC..Hα-helixtrans-64.4-39.4175.3-68.8167.7000112.1I19 F22 S23 A99 S106 F107 W550I19-L103 HydrophobicContact CG2-CD1 3.84Å; F22-L103 HydrophobicContact CD1-CD2 4.32Å; F22-L103 HydrophobicContact CE1-CD2 4.4Å; S23-L103 VanDerWaalsContact OG-CD2 3.25Å; S23-L103 WeakPolarHBondContact OG-CD2 3.43Å; S23-L103 VanDerWaalsContact OG-CG 3.27Å; S23-L103 WeakPolarHBondContact OG-CG 3.2Å; A99-L103 WeakPolarHBondContact O-CB 3.3Å; A99-L103 VanDerWaalsContact O-CG 3.24Å; A99-L103 WeakPolarHBondContact O-CG 3.46Å; A99-L103 PolarHBondContact O-N 3.1Å; L103-S106 WeakPolarHBondContact O-CB 3.23Å; L103-S106 PolarHBondContact O-N 3.34Å; L103-F107 WeakPolarHBondContact O-CB 3.35Å; L103-F107 PolarHBondContact O-N 3.39Å; L103-W550 HydrophobicContact CD2-CE3 4.42Å; L103-W550 HydrophobicContact CD2-CZ3 3.8Å
104I90.4Very high88.7Confident62 Ų6234.7 Ų34.732%0.31817%0.173SC..Hα-helixtrans-62.9-45175.2-70.3167000109.9V100 W101 F107 L108 F635V100-I104 HydrophobicContact CG1-CD1 3.76Å; V100-I104 WeakPolarHBondContact O-CD1 3.28Å; V100-I104 VanDerWaalsContact O-CG1 3.24Å; V100-I104 WeakPolarHBondContact O-CG1 3.49Å; V100-I104 PolarHBondContact O-N 2.92Å; V100-I104 VanDerWaalsContact O-N 3.1Å; W101-I104 HydrophobicContact CE3-CB 4.34Å; W101-I104 HydrophobicContact CE3-CG2 4.16Å; W101-I104 HydrophobicContact CZ3-CG2 4.02Å; W101-I104 PolarHBondContact O-N 2.84Å; I104-F107 PolarHBondContact O-N 3.11Å; I104-L108 HydrophobicContact CG2-CD1 3.86Å; I104-L108 HydrophobicContact CG2-CG 4.43Å; I104-L108 WeakPolarHBondContact O-CB 3.44Å; I104-L108 VanDerWaalsContact O-CG 3.3Å; I104-L108 WeakPolarHBondContact O-CG 3.42Å; I104-L108 PolarHBondContact O-N 3.41Å; I104-F635 HydrophobicContact CD1-CE2 4.32Å; I104-F635 HydrophobicContact CD1-CZ 4.06Å
105A85.9Confident88.4Confident0 Ų034.7 Ų34.70%017%0.174CC..Hα-helixtrans-64-41176.200000112.8W101 Q102 F107 L108 K109 L110 I112W101-A105 WeakPolarHBondContact O-CB 3.19Å; W101-A105 PolarHBondContact O-N 2.91Å; Q102-A105 PolarHBondContact O-N 3.4Å; A105-F107 VanDerWaalsContact C-N 3.3Å; A105-F107 PolarHBondContact O-N 3.41Å; A105-L108 CarbonylContact O-C 3.57Å; A105-L108 PolarHBondContact O-N 3.49Å; A105-K109 PolarHBondContact O-N 3.31Å; A105-L110 HydrophobicContact CB-CB 4.44Å; A105-L110 PolarHBondContact O-N 3.3Å; A105-I112 HydrophobicContact CB-CB 4.38Å; A105-I112 HydrophobicContact CB-CD1 3.36Å; A105-I112 HydrophobicContact CB-CG1 3.66Å; A105-I112 HydrophobicContact CB-CG2 3.84Å
106S82.8Confident88.2Confident2 Ų235 Ų351%0.01418%0.175CC..Hα-helixtrans-56.1-45.2172-52.60000111.6N27 Q102 L103 K109N27-S106 PolarHBondContact ND2-OG 3.47Å; N27-S106 VanDerWaalsContact ND2-OG 3.14Å; N27-S106 WeakPolarHBondContact OD1-CA 3.22Å; N27-S106 VanDerWaalsContact OD1-CB 3.31Å; N27-S106 WeakPolarHBondContact OD1-CB 3.43Å; N27-S106 PolarHBondContact OD1-N 3.23Å; N27-S106 PolarHBondContact OD1-OG 2.95Å; Q102-S106 PolarHBondContact O-N 3.49Å; Q102-S106 PolarHBondContact O-OG 2.92Å; L103-S106 WeakPolarHBondContact O-CB 3.23Å; L103-S106 PolarHBondContact O-N 3.34Å; S106-K109 PolarHBondContact O-N 3.36Å
107F83.8Confident88Confident157 Ų15733.6 Ų33.669%0.68917%0.166SC*.Hα-helixtrans-66.4-39.9179.8-172.1-92000112.5L103 I104 A105 K109 W550L103-F107 WeakPolarHBondContact O-CB 3.35Å; L103-F107 PolarHBondContact O-N 3.39Å; I104-F107 PolarHBondContact O-N 3.11Å; A105-F107 VanDerWaalsContact C-N 3.3Å; A105-F107 PolarHBondContact O-N 3.41Å; F107-K109 PolarHBondContact O-N 3.28Å; F107-W550 HydrophobicContact CB-CH2 3.97Å; F107-W550 HydrophobicContact CB-CZ2 3.89Å; F107-W550 HydrophobicContact CD2-CH2 4.3Å; F107-W550 AromaticContact CD2-CZ2 3.98Å; F107-W550 HydrophobicContact CD2-CZ2 3.98Å; F107-W550 HydrophobicContact CG-CZ2 4.44Å
108L82.1Confident87.8Confident98 Ų9833.6 Ų33.651%0.51317%0.166SC..THydrogen-bonded Turntrans-77.6-1175-63.9176000113.6I104 A105 L110I104-L108 HydrophobicContact CG2-CD1 3.86Å; I104-L108 HydrophobicContact CG2-CG 4.43Å; I104-L108 WeakPolarHBondContact O-CB 3.44Å; I104-L108 VanDerWaalsContact O-CG 3.3Å; I104-L108 WeakPolarHBondContact O-CG 3.42Å; I104-L108 PolarHBondContact O-N 3.41Å; A105-L108 CarbonylContact O-C 3.57Å; A105-L108 PolarHBondContact O-N 3.49Å; L108-L110 HydrophobicContact CB-CD1 3.96Å; L108-L110 HydrophobicContact CB-CG 3.88Å; L108-L110 HydrophobicContact CD1-CD1 4.18Å; L108-L110 PolarHBondContact O-N 3.26Å
109K77.3Confident87.7Confident133 Ų13333.6 Ų33.658%0.57817%0.166SC*.THydrogen-bonded Turntrans56.333.5-176.1-54.1174.7174.5-177.30113.5A105 S106 F107 T557A105-K109 PolarHBondContact O-N 3.31Å; S106-K109 PolarHBondContact O-N 3.36Å; F107-K109 PolarHBondContact O-N 3.28Å; K109-T557 HydrophobicContact CD-CG2 4.25Å
110L75.1Confident87.7Confident73 Ų7333.4 Ų33.438%0.38217%0.165SC..  trans-93117.8179.9-63.2177.3000109.9A105 L108 I112A105-L110 HydrophobicContact CB-CB 4.44Å; A105-L110 PolarHBondContact O-N 3.3Å; L108-L110 HydrophobicContact CB-CD1 3.96Å; L108-L110 HydrophobicContact CB-CG 3.88Å; L108-L110 HydrophobicContact CD1-CD1 4.18Å; L108-L110 PolarHBondContact O-N 3.26Å; L110-I112 HydrophobicContact CB-CG2 4.27Å; L110-I112 PolarHBondContact O-N 3.21Å
111P72.7Confident87.7Confident35 Ų3531 Ų3123%0.22715%0.15CC..  trans-71104.5173.429.1-33.1000109.3M558 T594 I621P111-M558 HydrophobicContact CB-CE 3.98Å; P111-M558 HydrophobicContact CB-SD 4.31Å; P111-M558 HydrophobicContact CG-CE 4.29Å; P111-M558 HydrophobicContact CG-SD 4.29Å; P111-T594 HydrophobicContact CB-CG2 4.32Å; P111-I621 HydrophobicContact CG-CD1 4.49Å; P111-I621 HydrophobicContact CG-CG1 4.23Å
112I83.7Confident87.7Confident1 Ų129.6 Ų29.61%0.00515%0.146CC..  trans-108.2-165.4179.757.4155.1000110.6Q102 A105 L110 T594Q102-I112 HydrophobicContact CB-CD1 4.4Å; Q102-I112 HydrophobicContact CG-CD1 3.9Å; A105-I112 HydrophobicContact CB-CB 4.38Å; A105-I112 HydrophobicContact CB-CD1 3.36Å; A105-I112 HydrophobicContact CB-CG1 3.66Å; A105-I112 HydrophobicContact CB-CG2 3.84Å; L110-I112 HydrophobicContact CB-CG2 4.27Å; L110-I112 PolarHBondContact O-N 3.21Å; I112-T594 WeakPolarHBondContact O-CB 3.17Å; I112-T594 WeakPolarHBondContact O-CG2 3.49Å; I112-T594 PolarHBondContact O-OG1 2.96Å
113S88Confident87.9Confident0 Ų030.8 Ų30.80%015%0.152CC..  trans-126.8112.8-179.4169.20000108.6T115 H116 C117 S592S113-T115 PolarHBondContact O-N 3.24Å; S113-H116 PolarHBondContact O-N 3.47Å; S113-H116 VanDerWaalsContact O-N 3.13Å; S113-H116 PolarHBondContact OG-CD2 3.29Å; S113-H116 PolarHBondContact OG-N 3.32Å; S113-C117 PolarHBondContact O-N 3.2Å; S113-C117 PolarHBondContact O-SG 3.39Å; S113-S592 WeakPolarHBondContact CB-OG 3.39Å; S113-S592 VanDerWaalsContact OG-CB 3.24Å; S113-S592 WeakPolarHBondContact OG-CB 3.37Å; S113-S592 PolarHBondContact OG-OG 3.22Å; S113-S592 VanDerWaalsContact OG-OG 3.06Å
114G89.3Confident88.2Confident1 Ų128.8 Ų28.81%0.0114%0.142CC..Hα-helixtrans-55.5-37.4174.800000112.4H116 C117 I118G114-H116 PolarHBondContact O-N 2.83Å; G114-C117 WeakPolarHBondContact O-CB 3.11Å; G114-C117 PolarHBondContact O-N 3.44Å; G114-C117 VanDerWaalsContact O-N 3.14Å; G114-I118 PolarHBondContact O-N 3.26Å; G114-I118 VanDerWaalsContact O-N 3.09Å
115T90.6Very high88.4Confident1 Ų125.8 Ų25.81%0.00613%0.127CC..Hα-helixtrans-61.8-39.9176.9-43.80000113S113 C117 I118 V119 N508 P590 V591S113-T115 PolarHBondContact O-N 3.24Å; T115-C117 VanDerWaalsContact C-N 3.34Å; T115-I118 WeakPolarHBondContact O-CG2 3.25Å; T115-V119 WeakPolarHBondContact O-CB 3.38Å; T115-V119 VanDerWaalsContact O-CG2 3.29Å; T115-V119 WeakPolarHBondContact O-CG2 3.32Å; T115-V119 PolarHBondContact O-N 2.97Å; T115-V119 VanDerWaalsContact O-N 3.13Å; T115-N508 WeakPolarHBondContact CA-OD1 3.46Å; T115-N508 PolarHBondContact N-ND2 2.82Å; T115-N508 PolarHBondContact OG1-ND2 3.36Å; T115-N508 VanDerWaalsContact OG1-ND2 3.1Å; T115-P590 HydrophobicContact CG2-CB 3.68Å; T115-P590 WeakPolarHBondContact CG2-O 3.47Å; T115-V591 WeakPolarHBondContact CB-O 3.44Å; T115-V591 WeakPolarHBondContact CG2-O 3.48Å; T115-V591 PolarHBondContact OG1-O 3.04Å
116H91.7Very high88.8Confident6 Ų625.8 Ų25.83%0.02813%0.127CC..Hα-helixtrans-67.9-36.6174.3-72.8-168.6000112.3S113 G114 G120 W147 H595 W625 T628 V629S113-H116 PolarHBondContact O-N 3.47Å; S113-H116 VanDerWaalsContact O-N 3.13Å; S113-H116 PolarHBondContact OG-CD2 3.29Å; S113-H116 PolarHBondContact OG-N 3.32Å; G114-H116 PolarHBondContact O-N 2.83Å; H116-G120 PolarHBondContact O-N 2.86Å; H116-W147 AromaticContact CD2-CD2 3.5Å; H116-W147 VanDerWaalsContact CD2-CD2 3.5Å; H116-W147 AromaticContact CD2-CE2 3.44Å; H116-W147 VanDerWaalsContact CD2-CE2 3.44Å; H116-W147 AromaticContact CD2-CE3 3.74Å; H116-W147 AromaticContact CD2-CH2 3.88Å; H116-W147 AromaticContact CD2-CZ2 3.64Å; H116-W147 AromaticContact CD2-CZ3 3.94Å; H116-W147 AromaticContact CD2-NE1 3.98Å; H116-W147 AromaticContact NE2-CD2 3.21Å; H116-W147 AromaticContact NE2-CE2 3.69Å; H116-W147 AromaticContact NE2-CE3 3.42Å; H116-W147 AromaticContact NE2-CG 3.44Å; H116-H595 AromaticContact CE1-CE1 3.13Å; H116-H595 PolarHBondContact CE1-CE1 3.02Å; H116-H595 AromaticContact CE1-NE2 3.17Å; H116-H595 PolarHBondContact CE1-NE2 3.11Å; H116-H595 AromaticContact ND1-NE2 3.97Å; H116-H595 AromaticContact NE2-CE1 3.2Å; H116-H595 PolarHBondContact NE2-CE1 2.9Å; H116-H595 AromaticContact NE2-NE2 3.47Å; H116-H595 PolarHBondContact NE2-NE2 2.89Å; H116-W625 PolarHBondContact ND1-O 3.15Å; H116-T628 HydrophobicContact CB-CG2 3.65Å; H116-V629 HydrophobicContact CB-CG2 3.89Å
117C93.6Very high89.4Confident0 Ų029.2 Ų29.20%015%0.145CC..Hα-helixtrans-61.4-51.3179.1-57.50000110S98 Q102 S113 G114 T115 G120 A121 T628 A632S98-C117 PolarHBondContact OG-O 3.46Å; Q102-C117 HydrophobicContact CG-CB 4.02Å; Q102-C117 WeakPolarHBondContact CG-SG 3.04Å; S113-C117 PolarHBondContact O-N 3.2Å; S113-C117 PolarHBondContact O-SG 3.39Å; G114-C117 WeakPolarHBondContact O-CB 3.11Å; G114-C117 PolarHBondContact O-N 3.44Å; G114-C117 VanDerWaalsContact O-N 3.14Å; T115-C117 VanDerWaalsContact C-N 3.34Å; C117-G120 PolarHBondContact O-N 2.95Å; C117-A121 VanDerWaalsContact O-CB 3.22Å; C117-A121 WeakPolarHBondContact O-CB 3.32Å; C117-A121 PolarHBondContact O-N 3.27Å; C117-T628 HydrophobicContact CB-CG2 4.47Å; C117-T628 WeakPolarHBondContact SG-CG2 3.46Å; C117-A632 HydrophobicContact CB-CB 4.26Å; C117-A632 WeakPolarHBondContact O-CB 3.08Å
118I94.3Very high89.9Confident0 Ų023.7 Ų23.70%012%0.124CC..Hα-helixtrans-69.2-41.4-177.2-168.758.9000112.5I70 A94 S98 G114 T115 G120 A121 T122 N508 P512I70-I118 HydrophobicContact CD1-CG2 4.35Å; I70-I118 HydrophobicContact CG2-CG1 4.11Å; A94-I118 HydrophobicContact CB-CD1 3.85Å; S98-I118 VanDerWaalsContact OG-CA 3.27Å; S98-I118 WeakPolarHBondContact OG-CA 3.43Å; S98-I118 WeakPolarHBondContact OG-CD1 3.3Å; S98-I118 PolarHBondContact OG-N 3.24Å; G114-I118 PolarHBondContact O-N 3.26Å; G114-I118 VanDerWaalsContact O-N 3.09Å; T115-I118 WeakPolarHBondContact O-CG2 3.25Å; I118-G120 VanDerWaalsContact C-N 3.35Å; I118-G120 PolarHBondContact O-N 3.17Å; I118-A121 PolarHBondContact O-N 3.32Å; I118-T122 WeakPolarHBondContact O-CB 3.14Å; I118-T122 PolarHBondContact O-N 3.34Å; I118-T122 PolarHBondContact O-OG1 3.15Å; I118-N508 HydrophobicContact CG2-CB 4.04Å; I118-P512 HydrophobicContact CD1-CG 3.56Å; I118-P512 HydrophobicContact CG1-CG 3.98Å
119V93.3Very high90.4Very high0 Ų019.6 Ų19.60%010%0.104CC..Hα-helixtrans-62.9-42.8175.9174.20000111.2I74 T115 T122 I123 L140 I143 W147I74-V119 HydrophobicContact CD1-CB 4.38Å; I74-V119 HydrophobicContact CD1-CG2 3.82Å; T115-V119 WeakPolarHBondContact O-CB 3.38Å; T115-V119 VanDerWaalsContact O-CG2 3.29Å; T115-V119 WeakPolarHBondContact O-CG2 3.32Å; T115-V119 PolarHBondContact O-N 2.97Å; T115-V119 VanDerWaalsContact O-N 3.13Å; V119-T122 PolarHBondContact O-N 3.42Å; V119-I123 HydrophobicContact CG1-CD1 4Å; V119-I123 VanDerWaalsContact O-CD1 3.32Å; V119-I123 WeakPolarHBondContact O-CD1 3.23Å; V119-I123 VanDerWaalsContact O-CG1 3.23Å; V119-I123 WeakPolarHBondContact O-CG1 3.3Å; V119-I123 PolarHBondContact O-N 3.44Å; V119-I123 VanDerWaalsContact O-N 3.08Å; V119-L140 HydrophobicContact CG1-CD1 3.81Å; V119-I143 HydrophobicContact CG1-CG2 4.42Å; V119-I143 HydrophobicContact CG2-CG2 4.28Å; V119-W147 HydrophobicContact CB-CH2 4.05Å; V119-W147 HydrophobicContact CB-CZ2 3.84Å; V119-W147 HydrophobicContact CG1-CH2 3.78Å; V119-W147 HydrophobicContact CG1-CZ2 3.82Å; V119-W147 HydrophobicContact CG2-CZ2 3.99Å
120G94.7Very high91.1Very high1 Ų115.8 Ų15.81%0.019%0.09CC..Hα-helixtrans-62.2-45.9174.600000113.1H116 C117 I118 I123 G124 V629 G633H116-G120 PolarHBondContact O-N 2.86Å; C117-G120 PolarHBondContact O-N 2.95Å; I118-G120 VanDerWaalsContact C-N 3.35Å; I118-G120 PolarHBondContact O-N 3.17Å; G120-I123 PolarHBondContact O-N 3.47Å; G120-G124 PolarHBondContact O-N 2.94Å; G120-V629 WeakPolarHBondContact CA-O 3.36Å; G120-G633 WeakPolarHBondContact O-CA 3.16Å
121A96.8Very high91.9Very high0 Ų013.4 Ų13.40%08%0.083CC..Hα-helixtrans-62.3-44.4177.300000112A94 S98 C117 I118 I123 G124 F125 A632 S636A94-A121 HydrophobicContact CB-CB 4.47Å; A94-A121 WeakPolarHBondContact O-CB 3.25Å; S98-A121 WeakPolarHBondContact OG-CB 3.38Å; C117-A121 VanDerWaalsContact O-CB 3.22Å; C117-A121 WeakPolarHBondContact O-CB 3.32Å; C117-A121 PolarHBondContact O-N 3.27Å; I118-A121 PolarHBondContact O-N 3.32Å; A121-I123 PolarHBondContact O-N 3.44Å; A121-G124 WeakPolarHBondContact O-CA 3.38Å; A121-G124 PolarHBondContact O-N 3.19Å; A121-F125 PolarHBondContact O-N 3.04Å; A121-A632 HydrophobicContact CB-CB 4.49Å; A121-S636 VanDerWaalsContact O-CB 3.22Å; A121-S636 WeakPolarHBondContact O-CB 3.15Å; A121-S636 PolarHBondContact O-OG 3.11Å
122T94.6Very high92.7Very high3 Ų316.1 Ų16.12%0.01810%0.098CC..Hα-helixtrans-60.9-42.1176.5-61.40000112.4I74 I75 I118 V119 G124 F125 S126I74-T122 HydrophobicContact CB-CG2 3.81Å; I74-T122 HydrophobicContact CD1-CG2 4.05Å; I74-T122 HydrophobicContact CG2-CG2 3.61Å; I75-T122 HydrophobicContact CG2-CG2 3.66Å; I118-T122 WeakPolarHBondContact O-CB 3.14Å; I118-T122 PolarHBondContact O-N 3.34Å; I118-T122 PolarHBondContact O-OG1 3.15Å; V119-T122 PolarHBondContact O-N 3.42Å; T122-G124 VanDerWaalsContact C-N 3.33Å; T122-F125 HydrophobicContact CG2-CE1 3.85Å; T122-F125 HydrophobicContact CG2-CZ 4.35Å; T122-F125 WeakPolarHBondContact O-CD1 3.21Å; T122-S126 WeakPolarHBondContact O-CB 3.44Å; T122-S126 PolarHBondContact O-N 3.49Å
123I94.8Very high93Very high25 Ų2523.2 Ų23.213%0.12813%0.132CC..Hα-helixtrans-61.8-44.6171.5-65.1159.1000110.3I74 V119 G120 A121 S126 L127 V135 L140I74-I123 HydrophobicContact CG2-CG1 4.19Å; V119-I123 HydrophobicContact CG1-CD1 4Å; V119-I123 VanDerWaalsContact O-CD1 3.32Å; V119-I123 WeakPolarHBondContact O-CD1 3.23Å; V119-I123 VanDerWaalsContact O-CG1 3.23Å; V119-I123 WeakPolarHBondContact O-CG1 3.3Å; V119-I123 PolarHBondContact O-N 3.44Å; V119-I123 VanDerWaalsContact O-N 3.08Å; G120-I123 PolarHBondContact O-N 3.47Å; A121-I123 PolarHBondContact O-N 3.44Å; I123-S126 PolarHBondContact O-N 3.38Å; I123-L127 HydrophobicContact CG2-CD1 3.72Å; I123-L127 HydrophobicContact CG2-CG 4.13Å; I123-L127 WeakPolarHBondContact O-CB 3.49Å; I123-L127 VanDerWaalsContact O-CG 3.29Å; I123-L127 WeakPolarHBondContact O-CG 3.36Å; I123-L127 PolarHBondContact O-N 3.25Å; I123-V135 HydrophobicContact CG1-CG1 4.42Å; I123-V135 HydrophobicContact CG2-CG2 4.42Å; I123-L140 HydrophobicContact CD1-CD1 3.71Å; I123-L140 HydrophobicContact CD1-CD2 3.64Å; I123-L140 HydrophobicContact CD1-CG 4.34Å; I123-L140 HydrophobicContact CG1-CD2 4.23Å
124G95.9Very high92.9Very high6 Ų623.2 Ų23.26%0.06213%0.132CC..Hα-helixtrans-54.9-52.9-178.900000113.8G120 A121 T122 G633G120-G124 PolarHBondContact O-N 2.94Å; A121-G124 WeakPolarHBondContact O-CA 3.38Å; A121-G124 PolarHBondContact O-N 3.19Å; T122-G124 VanDerWaalsContact C-N 3.33Å; G124-G633 WeakPolarHBondContact CA-O 3.49Å
125F95.5Very high93Very high0 Ų023.5 Ų23.50%013%0.133CC..Hα-helixtrans-67.7-40177.785.9-108000111.9I75 L87 G90 A94 A121 T122 L127 V128 A129 M640I75-F125 HydrophobicContact CD1-CE2 4.36Å; I75-F125 HydrophobicContact CD1-CZ 3.78Å; L87-F125 HydrophobicContact CD1-CE2 4.36Å; L87-F125 HydrophobicContact CD1-CZ 4.44Å; G90-F125 VanDerWaalsContact CA-CE2 3.48Å; G90-F125 WeakPolarHBondContact O-CD1 3.21Å; G90-F125 WeakPolarHBondContact O-CE1 3.43Å; A94-F125 HydrophobicContact CB-CD1 3.8Å; A94-F125 HydrophobicContact CB-CE1 3.81Å; A121-F125 PolarHBondContact O-N 3.04Å; T122-F125 HydrophobicContact CG2-CE1 3.85Å; T122-F125 HydrophobicContact CG2-CZ 4.35Å; T122-F125 WeakPolarHBondContact O-CD1 3.21Å; F125-L127 VanDerWaalsContact C-N 3.29Å; F125-L127 PolarHBondContact O-N 2.83Å; F125-V128 PolarHBondContact O-N 3.49Å; F125-A129 WeakPolarHBondContact O-CB 3.3Å; F125-A129 PolarHBondContact O-N 3.07Å; F125-M640 HydrophobicContact CB-CB 3.8Å; F125-M640 HydrophobicContact CB-CG 3.84Å; F125-M640 HydrophobicContact CB-SD 4.36Å
126S94.4Very high92.9Very high0 Ų026.1 Ų26.10%015%0.145CC..Hα-helixtrans-64.7-35.3-176.2-173.10000112.1Y80 T122 I123 V128 A129 I130 G131 G134Y80-S126 PolarHBondContact OH-OG 3.01Å; T122-S126 WeakPolarHBondContact O-CB 3.44Å; T122-S126 PolarHBondContact O-N 3.49Å; I123-S126 PolarHBondContact O-N 3.38Å; S126-V128 VanDerWaalsContact C-N 3.28Å; S126-V128 PolarHBondContact O-N 3.1Å; S126-A129 PolarHBondContact O-N 3.14Å; S126-I130 PolarHBondContact O-N 3.48Å; S126-G131 PolarHBondContact O-N 3.14Å; S126-G131 VanDerWaalsContact O-N 3.11Å; S126-G134 VanDerWaalsContact OG-C 3.26Å; S126-G134 WeakPolarHBondContact OG-CA 3.3Å; S126-G134 PolarHBondContact OG-O 2.64Å
127L95.1Very high92.8Very high73 Ų7332 Ų3238%0.38217%0.167SC..Hα-helixtrans-66.7-26.5174.1-72.4175.9000113.2I123 F125 G131 T132 V135I123-L127 HydrophobicContact CG2-CD1 3.72Å; I123-L127 HydrophobicContact CG2-CG 4.13Å; I123-L127 WeakPolarHBondContact O-CB 3.49Å; I123-L127 VanDerWaalsContact O-CG 3.29Å; I123-L127 WeakPolarHBondContact O-CG 3.36Å; I123-L127 PolarHBondContact O-N 3.25Å; F125-L127 VanDerWaalsContact C-N 3.29Å; F125-L127 PolarHBondContact O-N 2.83Å; L127-G131 VanDerWaalsContact O-CA 3.31Å; L127-G131 WeakPolarHBondContact O-CA 3.25Å; L127-G131 PolarHBondContact O-N 3.14Å; L127-T132 HydrophobicContact CD2-CG2 4Å; L127-V135 HydrophobicContact CD2-CG2 4.39Å; L127-V135 HydrophobicContact CG-CG2 4.5Å
128V95.4Very high92.7Very high42 Ų4239.4 Ų39.426%0.25520%0.204SC..Hα-helixtrans-82.9-41.3174173.20000111.2F125 S126 A637 M640 A641 M644F125-V128 PolarHBondContact O-N 3.49Å; S126-V128 VanDerWaalsContact C-N 3.28Å; S126-V128 PolarHBondContact O-N 3.1Å; V128-A637 HydrophobicContact CG2-CB 3.65Å; V128-M640 HydrophobicContact CB-CB 4.33Å; V128-M640 HydrophobicContact CB-CG 4.11Å; V128-M640 HydrophobicContact CG1-CB 4.25Å; V128-M640 HydrophobicContact CG1-CG 3.99Å; V128-A641 HydrophobicContact CG1-CB 4.21Å; V128-M644 HydrophobicContact CG1-SD 4.43Å
129A92.8Very high92.3Very high11 Ų1142.6 Ų42.69%0.09122%0.219CC..Hα-helixtrans-74.3-47.1-172.600000113.8Y80 L86 F125 S126 M640Y80-A129 HydrophobicContact CE1-CB 3.98Å; L86-A129 HydrophobicContact CD2-CB 4.07Å; L86-A129 HydrophobicContact CG-CB 4.24Å; F125-A129 WeakPolarHBondContact O-CB 3.3Å; F125-A129 PolarHBondContact O-N 3.07Å; S126-A129 PolarHBondContact O-N 3.14Å; A129-M640 HydrophobicContact CB-CE 3.58Å
130I91.8Very high92.1Very high54 Ų5443.5 Ų43.528%0.27722%0.223SC..THydrogen-bonded Turntrans-129.3-11-172.8-59-66.1000111.6L79 Y80 L86 S126L79-I130 HydrophobicContact CB-CG2 4.24Å; L79-I130 HydrophobicContact CD1-CG2 3.91Å; Y80-I130 HydrophobicContact CD1-CD1 4.4Å; Y80-I130 HydrophobicContact CD1-CG1 4.21Å; Y80-I130 HydrophobicContact CE1-CD1 4.18Å; Y80-I130 HydrophobicContact CE1-CG1 3.58Å; Y80-I130 HydrophobicContact CE2-CG1 3.94Å; Y80-I130 VanDerWaalsContact CZ-CG1 3.42Å; L86-I130 HydrophobicContact CD2-CD1 4.45Å; S126-I130 PolarHBondContact O-N 3.48Å
131G90.6Very high91.9Very high23 Ų2347.9 Ų47.924%0.23725%0.25CS..G310 helixtrans81-160.5-176.100000112.9S126 L127 Q133 G134S126-G131 PolarHBondContact O-N 3.14Å; S126-G131 VanDerWaalsContact O-N 3.11Å; L127-G131 VanDerWaalsContact O-CA 3.31Å; L127-G131 WeakPolarHBondContact O-CA 3.25Å; L127-G131 PolarHBondContact O-N 3.14Å; G131-Q133 PolarHBondContact O-N 2.95Å; G131-Q133 VanDerWaalsContact O-N 3.11Å; G131-G134 PolarHBondContact O-N 2.88Å
132T90.5Very high91.5Very high91 Ų9154.6 Ų54.656%0.55828%0.279SS*.G310 helixtrans-63.8-17.8-174.554.10000114.4L127 W137L127-T132 HydrophobicContact CD2-CG2 4Å; T132-W137 HydrophobicContact CG2-CZ2 4.41Å; T132-W137 PolarHBondContact O-NE1 3.45Å
133Q88.9Confident91.2Very high151 Ų15154.7 Ų54.771%0.70628%0.279SS*.G310 helixtrans-76.5-23.6176.4-62.9-177.22.100112.7L79 G131 V135L79-Q133 HydrophobicContact CD1-CB 4.45Å; L79-Q133 VanDerWaalsContact CD1-O 3.3Å; L79-Q133 WeakPolarHBondContact CD1-O 3.36Å; G131-Q133 PolarHBondContact O-N 2.95Å; G131-Q133 VanDerWaalsContact O-N 3.11Å; Q133-V135 PolarHBondContact O-N 3.33Å
134G86.3Confident90.9Very high0 Ų055.9 Ų55.90%029%0.288CS..G310 helixtrans-70.1-14.8179.200000114.8I75 D76 S126 G131I75-G134 CarbonylContact C-O 3.59Å; I75-G134 WeakPolarHBondContact CA-O 3.18Å; I75-G134 WeakPolarHBondContact CB-O 3.45Å; D76-G134 PolarHBondContact N-O 2.68Å; S126-G134 VanDerWaalsContact OG-C 3.26Å; S126-G134 WeakPolarHBondContact OG-CA 3.3Å; S126-G134 PolarHBondContact OG-O 2.64Å; G131-G134 PolarHBondContact O-N 2.88Å
135V91.3Very high90.6Very high6 Ų657.5 Ų57.54%0.03630%0.3CS..BIsolated β-bridgetrans-105.1129.1-173.3-179.70000111I123 L127 Q133 W137 L140I123-V135 HydrophobicContact CG1-CG1 4.42Å; I123-V135 HydrophobicContact CG2-CG2 4.42Å; L127-V135 HydrophobicContact CD2-CG2 4.39Å; L127-V135 HydrophobicContact CG-CG2 4.5Å; Q133-V135 PolarHBondContact O-N 3.33Å; V135-W137 HydrophobicContact CB-CZ2 4.27Å; V135-W137 HydrophobicContact CG1-CD2 4.36Å; V135-W137 HydrophobicContact CG1-CZ2 4.45Å; V135-W137 PolarHBondContact O-N 3.39Å; V135-W137 PolarHBondContact O-NE1 2.88Å; V135-L140 HydrophobicContact CG1-CD2 4.1Å
136Q89.8Confident90.2Very high56 Ų5658 Ų5826%0.26230%0.304SS..  trans-81.979177.6-63-163.433.900111.5I74 I75 D76 M138 Q139 L140I74-Q136 PolarHBondContact O-N 3.22Å; I75-Q136 PolarHBondContact O-NE2 2.91Å; D76-Q136 HydrophobicContact CB-CG 4.21Å; Q136-M138 VanDerWaalsContact C-N 3.26Å; Q136-M138 PolarHBondContact O-N 2.96Å; Q136-M138 VanDerWaalsContact O-N 3.08Å; Q136-Q139 HydrophobicContact CB-CB 4.09Å; Q136-Q139 HydrophobicContact CB-CG 4.09Å; Q136-Q139 WeakPolarHBondContact O-CA 3.33Å; Q136-Q139 PolarHBondContact O-N 3.46Å; Q136-L140 PolarHBondContact O-N 2.91Å
137W89.7Confident89.9Confident129 Ų12958.9 Ų58.949%0.48931%0.307SS..Hα-helixtrans-49.1-39.5-175.2-62.697.4000114.8T132 V135 L140 V141T132-W137 HydrophobicContact CG2-CZ2 4.41Å; T132-W137 PolarHBondContact O-NE1 3.45Å; V135-W137 HydrophobicContact CB-CZ2 4.27Å; V135-W137 HydrophobicContact CG1-CD2 4.36Å; V135-W137 HydrophobicContact CG1-CZ2 4.45Å; V135-W137 PolarHBondContact O-N 3.39Å; V135-W137 PolarHBondContact O-NE1 2.88Å; W137-L140 HydrophobicContact CE3-CD2 4.16Å; W137-L140 HydrophobicContact CZ3-CD2 4.18Å; W137-L140 PolarHBondContact O-N 2.96Å; W137-V141 WeakPolarHBondContact O-CG2 3.24Å; W137-V141 PolarHBondContact O-N 2.78Å
138M90.1Very high89.6Confident157 Ų15761.1 Ų61.177%0.77331%0.314SS*.Hα-helixtrans-70.1-30.3178-72.2-65-17600113.7Q136 K142Q136-M138 VanDerWaalsContact C-N 3.26Å; Q136-M138 PolarHBondContact O-N 2.96Å; Q136-M138 VanDerWaalsContact O-N 3.08Å; M138-K142 WeakPolarHBondContact O-CG 3.16Å
139Q87.3Confident89.4Confident67 Ų6764 Ų6431%0.31333%0.327SS..Hα-helixtrans-76.3-41.7171.7-62.9-143.946.500110.5G73 Q136 V141 K142 I143G73-Q139 WeakPolarHBondContact O-CB 3.38Å; G73-Q139 VanDerWaalsContact O-CD 3.24Å; G73-Q139 PolarHBondContact O-OE1 3.48Å; Q136-Q139 HydrophobicContact CB-CB 4.09Å; Q136-Q139 HydrophobicContact CB-CG 4.09Å; Q136-Q139 WeakPolarHBondContact O-CA 3.33Å; Q136-Q139 PolarHBondContact O-N 3.46Å; Q139-V141 VanDerWaalsContact C-N 3.31Å; Q139-V141 PolarHBondContact O-N 3.45Å; Q139-K142 WeakPolarHBondContact O-CB 3.27Å; Q139-K142 PolarHBondContact O-N 3.31Å; Q139-I143 WeakPolarHBondContact O-CG1 3.35Å; Q139-I143 PolarHBondContact O-N 3.31Å
140L88.6Confident89.3Confident18 Ų1863.8 Ų63.89%0.09433%0.325CS..Hα-helixtrans-57.4-42.2175.2-179.557.5000112.1V119 I123 V135 Q136 W137 K142 I143 V144V119-L140 HydrophobicContact CG1-CD1 3.81Å; I123-L140 HydrophobicContact CD1-CD1 3.71Å; I123-L140 HydrophobicContact CD1-CD2 3.64Å; I123-L140 HydrophobicContact CD1-CG 4.34Å; I123-L140 HydrophobicContact CG1-CD2 4.23Å; V135-L140 HydrophobicContact CG1-CD2 4.1Å; Q136-L140 PolarHBondContact O-N 2.91Å; W137-L140 HydrophobicContact CE3-CD2 4.16Å; W137-L140 HydrophobicContact CZ3-CD2 4.18Å; W137-L140 PolarHBondContact O-N 2.96Å; L140-K142 VanDerWaalsContact C-N 3.32Å; L140-K142 PolarHBondContact O-N 2.87Å; L140-I143 PolarHBondContact O-N 3.38Å; L140-V144 HydrophobicContact CD1-CG2 4.05Å; L140-V144 HydrophobicContact CG-CG2 4.35Å; L140-V144 WeakPolarHBondContact O-CB 3.28Å; L140-V144 WeakPolarHBondContact O-CG2 3.42Å; L140-V144 PolarHBondContact O-N 3.26Å
141V90.1Very high89.3Confident94 Ų9462.2 Ų62.257%0.5732%0.318SS*.Hα-helixtrans-60.6-38.4174.4167.90000112.1W137 Q139 A145W137-V141 WeakPolarHBondContact O-CG2 3.24Å; W137-V141 PolarHBondContact O-N 2.78Å; Q139-V141 VanDerWaalsContact C-N 3.31Å; Q139-V141 PolarHBondContact O-N 3.45Å; V141-A145 VanDerWaalsContact O-CB 3.27Å; V141-A145 WeakPolarHBondContact O-CB 3.41Å; V141-A145 PolarHBondContact O-N 2.62Å
142K88.6Confident89.3Confident141 Ų14167.5 Ų67.561%0.61334%0.34SS*.Hα-helixtrans-65.8-42174.5-66.1172.2-175.71780111.8M138 Q139 L140 A145 S146M138-K142 WeakPolarHBondContact O-CG 3.16Å; Q139-K142 WeakPolarHBondContact O-CB 3.27Å; Q139-K142 PolarHBondContact O-N 3.31Å; L140-K142 VanDerWaalsContact C-N 3.32Å; L140-K142 PolarHBondContact O-N 2.87Å; K142-A145 PolarHBondContact O-N 3.18Å; K142-S146 PolarHBondContact O-N 2.68Å
143I87.7Confident89.4Confident4 Ų466.7 Ų66.72%0.02133%0.332CS..Hα-helixtrans-62-52176.4-66.7169.1000109.8I74 V119 Q139 L140 A145 S146 W147 P590I74-I143 HydrophobicContact CG1-CD1 4.09Å; V119-I143 HydrophobicContact CG1-CG2 4.42Å; V119-I143 HydrophobicContact CG2-CG2 4.28Å; Q139-I143 WeakPolarHBondContact O-CG1 3.35Å; Q139-I143 PolarHBondContact O-N 3.31Å; L140-I143 PolarHBondContact O-N 3.38Å; I143-A145 VanDerWaalsContact C-N 3.35Å; I143-A145 PolarHBondContact O-N 3.49Å; I143-S146 WeakPolarHBondContact O-CB 3.31Å; I143-S146 PolarHBondContact O-N 2.93Å; I143-S146 PolarHBondContact O-OG 3.45Å; I143-W147 HydrophobicContact CG2-CD2 4.5Å; I143-W147 HydrophobicContact CG2-CH2 4.45Å; I143-W147 HydrophobicContact CG2-CZ2 3.53Å; I143-W147 VanDerWaalsContact O-CD1 3.28Å; I143-W147 PolarHBondContact O-N 2.93Å; I143-P590 HydrophobicContact CD1-CG 4.32Å; I143-P590 HydrophobicContact CG1-CG 4.17Å; I143-P590 HydrophobicContact CG2-CG 4.29Å
144V88.9Confident89.6Confident50 Ų5059.5 Ų59.530%0.30330%0.299SS..Hα-helixtrans-59.3-43.1177.9172.90000111.6L140 S146 W147 F148L140-V144 HydrophobicContact CD1-CG2 4.05Å; L140-V144 HydrophobicContact CG-CG2 4.35Å; L140-V144 WeakPolarHBondContact O-CB 3.28Å; L140-V144 WeakPolarHBondContact O-CG2 3.42Å; L140-V144 PolarHBondContact O-N 3.26Å; V144-S146 VanDerWaalsContact C-N 3.3Å; V144-S146 PolarHBondContact O-N 2.91Å; V144-W147 HydrophobicContact CB-CE3 4.37Å; V144-W147 HydrophobicContact CG2-CE3 4.06Å; V144-W147 HydrophobicContact CG2-CH2 4.39Å; V144-W147 HydrophobicContact CG2-CZ3 3.85Å; V144-W147 WeakPolarHBondContact O-CB 3.47Å; V144-W147 PolarHBondContact O-N 3.33Å; V144-W147 VanDerWaalsContact O-N 3.14Å; V144-F148 HydrophobicContact CG1-CD2 4.43Å; V144-F148 HydrophobicContact CG1-CE2 3.91Å; V144-F148 VanDerWaalsContact O-CD2 3.26Å; V144-F148 WeakPolarHBondContact O-CD2 3.42Å
145A89.3Confident89.9Confident40 Ų4059.9 Ų59.933%0.33130%0.302SS..Hα-helixtrans-59.5-40.5174.700000112V141 K142 I143 W147 F148 I149V141-A145 VanDerWaalsContact O-CB 3.27Å; V141-A145 WeakPolarHBondContact O-CB 3.41Å; V141-A145 PolarHBondContact O-N 2.62Å; K142-A145 PolarHBondContact O-N 3.18Å; I143-A145 VanDerWaalsContact C-N 3.35Å; I143-A145 PolarHBondContact O-N 3.49Å; A145-W147 PolarHBondContact O-N 3.2Å; A145-F148 PolarHBondContact O-N 3.32Å; A145-I149 HydrophobicContact CB-CD1 4.34Å; A145-I149 VanDerWaalsContact O-CG1 3.3Å; A145-I149 WeakPolarHBondContact O-CG1 3.49Å; A145-I149 PolarHBondContact O-N 3.48Å
146S88.2Confident90.1Very high10 Ų1064.7 Ų64.77%0.0733%0.327CS..Hα-helixtrans-61-31.4176.784.50000113K142 I143 V144 F148 I149 S150K142-S146 PolarHBondContact O-N 2.68Å; I143-S146 WeakPolarHBondContact O-CB 3.31Å; I143-S146 PolarHBondContact O-N 2.93Å; I143-S146 PolarHBondContact O-OG 3.45Å; V144-S146 VanDerWaalsContact C-N 3.3Å; V144-S146 PolarHBondContact O-N 2.91Å; S146-F148 VanDerWaalsContact C-N 3.3Å; S146-F148 PolarHBondContact O-N 3.31Å; S146-I149 PolarHBondContact O-N 3.49Å; S146-S150 VanDerWaalsContact O-CB 3.25Å; S146-S150 WeakPolarHBondContact O-CB 3.39Å; S146-S150 PolarHBondContact O-N 3.3Å; S146-S150 PolarHBondContact O-OG 3.14Å
147W87.6Confident90.2Very high19 Ų1965.2 Ų65.27%0.07233%0.33CS..Hα-helixtrans-69.2-24.3179.1-58.1-16.9000113.9H116 V119 I143 V144 A145 P151 P590 H595 V629H116-W147 AromaticContact CD2-CD2 3.5Å; H116-W147 VanDerWaalsContact CD2-CD2 3.5Å; H116-W147 AromaticContact CD2-CE2 3.44Å; H116-W147 VanDerWaalsContact CD2-CE2 3.44Å; H116-W147 AromaticContact CD2-CE3 3.74Å; H116-W147 AromaticContact CD2-CH2 3.88Å; H116-W147 AromaticContact CD2-CZ2 3.64Å; H116-W147 AromaticContact CD2-CZ3 3.94Å; H116-W147 AromaticContact CD2-NE1 3.98Å; H116-W147 AromaticContact NE2-CD2 3.21Å; H116-W147 AromaticContact NE2-CE2 3.69Å; H116-W147 AromaticContact NE2-CE3 3.42Å; H116-W147 AromaticContact NE2-CG 3.44Å; V119-W147 HydrophobicContact CB-CH2 4.05Å; V119-W147 HydrophobicContact CB-CZ2 3.84Å; V119-W147 HydrophobicContact CG1-CH2 3.78Å; V119-W147 HydrophobicContact CG1-CZ2 3.82Å; V119-W147 HydrophobicContact CG2-CZ2 3.99Å; I143-W147 HydrophobicContact CG2-CD2 4.5Å; I143-W147 HydrophobicContact CG2-CH2 4.45Å; I143-W147 HydrophobicContact CG2-CZ2 3.53Å; I143-W147 VanDerWaalsContact O-CD1 3.28Å; I143-W147 PolarHBondContact O-N 2.93Å; V144-W147 HydrophobicContact CB-CE3 4.37Å; V144-W147 HydrophobicContact CG2-CE3 4.06Å; V144-W147 HydrophobicContact CG2-CH2 4.39Å; V144-W147 HydrophobicContact CG2-CZ3 3.85Å; V144-W147 WeakPolarHBondContact O-CB 3.47Å; V144-W147 PolarHBondContact O-N 3.33Å; V144-W147 VanDerWaalsContact O-N 3.14Å; A145-W147 PolarHBondContact O-N 3.2Å; W147-P151 WeakPolarHBondContact O-CD 3.39Å; W147-P151 WeakPolarHBondContact O-CG 3.47Å; W147-P590 PolarHBondContact NE1-O 3.34Å; W147-H595 PolarHBondContact O-ND1 2.95Å; W147-V629 HydrophobicContact CH2-CG2 4.03Å; W147-V629 HydrophobicContact CZ3-CG2 3.89Å
148F88.7Confident90.4Very high121 Ų12159 Ų5953%0.53131%0.307SS..Hα-helixtrans-92-36.6172.3-65.1-80.3000112.5V144 A145 S146 P151 F622V144-F148 HydrophobicContact CG1-CD2 4.43Å; V144-F148 HydrophobicContact CG1-CE2 3.91Å; V144-F148 VanDerWaalsContact O-CD2 3.26Å; V144-F148 WeakPolarHBondContact O-CD2 3.42Å; A145-F148 PolarHBondContact O-N 3.32Å; S146-F148 VanDerWaalsContact C-N 3.3Å; S146-F148 PolarHBondContact O-N 3.31Å; F148-P151 WeakPolarHBondContact O-CD 3.46Å; F148-P151 WeakPolarHBondContact O-CG 3.45Å; F148-F622 AromaticContact CE1-CE2 4Å; F148-F622 HydrophobicContact CE1-CE2 4Å; F148-F622 HydrophobicContact CE1-CZ 4.27Å
149I90.4Very high90.5Very high102 Ų10252 Ų5252%0.52327%0.274SS..Hα-helixtrans-70-40.5179.8-67.1165.4000111.3A145 S146 L152 L153A145-I149 HydrophobicContact CB-CD1 4.34Å; A145-I149 VanDerWaalsContact O-CG1 3.3Å; A145-I149 WeakPolarHBondContact O-CG1 3.49Å; A145-I149 PolarHBondContact O-N 3.48Å; S146-I149 PolarHBondContact O-N 3.49Å; I149-L152 PolarHBondContact O-N 2.9Å; I149-L153 VanDerWaalsContact O-CB 3.29Å; I149-L153 WeakPolarHBondContact O-CB 3.39Å; I149-L153 PolarHBondContact O-N 2.91Å
150S91.3Very high90.8Very high7 Ų752.1 Ų52.15%0.04928%0.28CS..Hα-helixtrans-60.8-48.3-177.951.10000115.1S146 L152 L153 S154S146-S150 VanDerWaalsContact O-CB 3.25Å; S146-S150 WeakPolarHBondContact O-CB 3.39Å; S146-S150 PolarHBondContact O-N 3.3Å; S146-S150 PolarHBondContact O-OG 3.14Å; S150-L152 VanDerWaalsContact C-N 3.34Å; S150-L152 PolarHBondContact O-N 2.95Å; S150-L153 PolarHBondContact O-N 2.78Å; S150-S154 VanDerWaalsContact O-CB 3.22Å; S150-S154 WeakPolarHBondContact O-CB 3.1Å; S150-S154 PolarHBondContact O-N 3.4Å
151P90.8Very high91Very high20 Ų2052.8 Ų52.813%0.1328%0.283CS..Hα-helixtrans-64.2-36.7174.523.3-32.9000112.6W147 F148 G155 H595W147-P151 WeakPolarHBondContact O-CD 3.39Å; W147-P151 WeakPolarHBondContact O-CG 3.47Å; F148-P151 WeakPolarHBondContact O-CD 3.46Å; F148-P151 WeakPolarHBondContact O-CG 3.45Å; P151-G155 PolarHBondContact O-N 2.89Å; P151-H595 HydrophobicContact CB-CB 4.18Å; P151-H595 WeakPolarHBondContact CB-O 3.34Å; P151-H595 HydrophobicContact CG-CB 4.25Å
152L91.6Very high91Very high135 Ų13548.4 Ų48.471%0.70726%0.256SS*.Hα-helixtrans-67-45.1178.4-179.763000111.7I149 S150 G155 L156I149-L152 PolarHBondContact O-N 2.9Å; S150-L152 VanDerWaalsContact C-N 3.34Å; S150-L152 PolarHBondContact O-N 2.95Å; L152-G155 PolarHBondContact O-N 2.79Å; L152-L156 WeakPolarHBondContact O-CB 3.34Å; L152-L156 PolarHBondContact O-N 2.92Å
153L91.9Very high91.2Very high74 Ų7445.3 Ų45.339%0.38725%0.249SC..Hα-helixtrans-64.8-45.1176.7-178.561.3000111.1I149 S150 G155 L156 M157 T580I149-L153 VanDerWaalsContact O-CB 3.29Å; I149-L153 WeakPolarHBondContact O-CB 3.39Å; I149-L153 PolarHBondContact O-N 2.91Å; S150-L153 PolarHBondContact O-N 2.78Å; L153-G155 VanDerWaalsContact C-N 3.34Å; L153-G155 PolarHBondContact O-N 3.18Å; L153-L156 PolarHBondContact O-N 3.2Å; L153-M157 HydrophobicContact CD1-CG 4.22Å; L153-M157 HydrophobicContact CG-CG 4.43Å; L153-M157 WeakPolarHBondContact O-CB 3.41Å; L153-M157 WeakPolarHBondContact O-CG 3.3Å; L153-M157 PolarHBondContact O-N 3.4Å; L153-T580 HydrophobicContact CB-CG2 4.47Å; L153-T580 HydrophobicContact CD2-CG2 4.22Å; L153-T580 HydrophobicContact CG-CG2 4.35Å
154S93.5Very high91.3Very high0 Ų049 Ų490%027%0.269CS..Hα-helixtrans-62.7-41176.7-162.50000111.8S150 S158 S577 T580 C596 S600S150-S154 VanDerWaalsContact O-CB 3.22Å; S150-S154 WeakPolarHBondContact O-CB 3.1Å; S150-S154 PolarHBondContact O-N 3.4Å; S154-S158 WeakPolarHBondContact O-CB 3.33Å; S154-S158 PolarHBondContact O-N 2.88Å; S154-S158 PolarHBondContact O-OG 2.66Å; S154-S158 VanDerWaalsContact O-OG 3.05Å; S154-S577 VanDerWaalsContact OG-CA 3.24Å; S154-S577 WeakPolarHBondContact OG-CA 3.32Å; S154-T580 WeakPolarHBondContact CA-OG1 3.27Å; S154-C596 WeakPolarHBondContact CB-O 3.04Å; S154-C596 PolarHBondContact OG-O 3.05Å; S154-S600 VanDerWaalsContact C-OG 3.22Å; S154-S600 PolarHBondContact O-OG 3.39Å; S154-S600 PolarHBondContact OG-OG 2.85Å
155G93Very high91.3Very high7 Ų746.8 Ų46.87%0.07226%0.255CS..Hα-helixtrans-59.3-54.1172.400000111.8P151 L152 L153 M157 S158 G159 G599 A603P151-G155 PolarHBondContact O-N 2.89Å; L152-G155 PolarHBondContact O-N 2.79Å; L153-G155 VanDerWaalsContact C-N 3.34Å; L153-G155 PolarHBondContact O-N 3.18Å; G155-M157 PolarHBondContact O-N 2.7Å; G155-S158 PolarHBondContact O-N 2.75Å; G155-S158 PolarHBondContact O-OG 3.49Å; G155-G159 PolarHBondContact O-N 3.22Å; G155-G599 VanDerWaalsContact CA-O 3.3Å; G155-G599 WeakPolarHBondContact CA-O 3.19Å; G155-A603 WeakPolarHBondContact O-CB 3.45Å
156L94.3Very high91.2Very high107 Ų10748.2 Ų48.256%0.5625%0.252SS*.Hα-helixtrans-56.6-48.3177.3179.664.1000112.4L152 L153 G159 V160L152-L156 WeakPolarHBondContact O-CB 3.34Å; L152-L156 PolarHBondContact O-N 2.92Å; L153-L156 PolarHBondContact O-N 3.2Å; L156-G159 PolarHBondContact O-N 3.39Å; L156-V160 HydrophobicContact CD1-CG2 4.3Å; L156-V160 WeakPolarHBondContact O-CG2 3.34Å; L156-V160 PolarHBondContact O-N 2.96Å
157M92.8Very high91.2Very high67 Ų6754 Ų5433%0.3328%0.276SS..Hα-helixtrans-60.7-45.8178.4-71.5-71.496.300111.9L153 G155 L161 A576 F579L153-M157 HydrophobicContact CD1-CG 4.22Å; L153-M157 HydrophobicContact CG-CG 4.43Å; L153-M157 WeakPolarHBondContact O-CB 3.41Å; L153-M157 WeakPolarHBondContact O-CG 3.3Å; L153-M157 PolarHBondContact O-N 3.4Å; G155-M157 PolarHBondContact O-N 2.7Å; M157-L161 VanDerWaalsContact O-CB 3.24Å; M157-L161 WeakPolarHBondContact O-CB 3.47Å; M157-L161 PolarHBondContact O-N 2.93Å; M157-A576 HydrophobicContact CB-CB 4.14Å; M157-F579 HydrophobicContact SD-CE1 4.4Å
158S93.4Very high91.1Very high0 Ų058.9 Ų58.90%030%0.298CS..Hα-helixtrans-66.1-36.9176.566.60000112.8S154 G155 L161 F162 T572 S600S154-S158 WeakPolarHBondContact O-CB 3.33Å; S154-S158 PolarHBondContact O-N 2.88Å; S154-S158 PolarHBondContact O-OG 2.66Å; S154-S158 VanDerWaalsContact O-OG 3.05Å; G155-S158 PolarHBondContact O-N 2.75Å; G155-S158 PolarHBondContact O-OG 3.49Å; S158-L161 PolarHBondContact O-N 3.47Å; S158-F162 VanDerWaalsContact O-CB 3.24Å; S158-F162 WeakPolarHBondContact O-CB 3.44Å; S158-F162 PolarHBondContact O-N 2.72Å; S158-T572 VanDerWaalsContact O-CG2 3.25Å; S158-T572 WeakPolarHBondContact O-CG2 3.19Å; S158-S600 VanDerWaalsContact OG-CA 3.24Å; S158-S600 WeakPolarHBondContact OG-CA 3.42Å; S158-S600 WeakPolarHBondContact OG-CB 3.23Å; S158-S600 PolarHBondContact OG-O 3.31Å; S158-S600 PolarHBondContact OG-OG 3.05Å
159G91.9Very high91.1Very high8 Ų853.3 Ų53.38%0.08227%0.273CS..Hα-helixtrans-67.6-44.8178.200000112.2G155 L156 F162 V163G155-G159 PolarHBondContact O-N 3.22Å; L156-G159 PolarHBondContact O-N 3.39Å; G159-F162 PolarHBondContact O-N 3.34Å; G159-V163 VanDerWaalsContact O-CG2 3.32Å; G159-V163 WeakPolarHBondContact O-CG2 3.11Å; G159-V163 PolarHBondContact O-N 3.43Å
160V93.9Very high90.8Very high71 Ų7150.2 Ų50.243%0.4326%0.258SS..Hα-helixtrans-60.9-48.5173171.70000110.6L156 F162 V163 L164L156-V160 HydrophobicContact CD1-CG2 4.3Å; L156-V160 WeakPolarHBondContact O-CG2 3.34Å; L156-V160 PolarHBondContact O-N 2.96Å; V160-F162 VanDerWaalsContact C-N 3.33Å; V160-F162 PolarHBondContact O-N 3.34Å; V160-V163 PolarHBondContact O-N 3.47Å; V160-L164 HydrophobicContact CG1-CD1 3.91Å; V160-L164 HydrophobicContact CG1-CG 4.44Å; V160-L164 VanDerWaalsContact O-CG 3.25Å; V160-L164 WeakPolarHBondContact O-CG 3.4Å; V160-L164 PolarHBondContact O-N 3.2Å
161L92.2Very high90.4Very high32 Ų3254.6 Ų54.617%0.16828%0.281CS..Hα-helixtrans-60.3-41.5178.3178.858.9000112M157 S158 L164 I165 F186 T572 L575 A576M157-L161 VanDerWaalsContact O-CB 3.24Å; M157-L161 WeakPolarHBondContact O-CB 3.47Å; M157-L161 PolarHBondContact O-N 2.93Å; S158-L161 PolarHBondContact O-N 3.47Å; L161-L164 PolarHBondContact O-N 3.41Å; L161-I165 HydrophobicContact CD1-CD1 3.87Å; L161-I165 HydrophobicContact CD1-CG1 4.32Å; L161-I165 HydrophobicContact CG-CD1 3.83Å; L161-I165 WeakPolarHBondContact O-CB 3.4Å; L161-I165 WeakPolarHBondContact O-CD1 3.2Å; L161-I165 VanDerWaalsContact O-CG1 3.3Å; L161-I165 WeakPolarHBondContact O-CG1 3.45Å; L161-I165 PolarHBondContact O-N 3.46Å; L161-F186 HydrophobicContact CD1-CE1 4.17Å; L161-T572 HydrophobicContact CB-CG2 3.95Å; L161-T572 HydrophobicContact CD2-CG2 3.94Å; L161-T572 HydrophobicContact CG-CG2 3.78Å; L161-L575 HydrophobicContact CD2-CB 4.12Å; L161-L575 HydrophobicContact CD2-CD2 3.96Å; L161-L575 HydrophobicContact CD2-CG 4.17Å; L161-A576 HydrophobicContact CD2-CB 4.48Å
162F91.7Very high90.1Very high1 Ų158 Ų580%0.00429%0.294CS..Hα-helixtrans-67.3-43.1179.2-169.8-109000111.7S158 G159 V160 L164 I165 R166 T572 V604 I607 R608S158-F162 VanDerWaalsContact O-CB 3.24Å; S158-F162 WeakPolarHBondContact O-CB 3.44Å; S158-F162 PolarHBondContact O-N 2.72Å; G159-F162 PolarHBondContact O-N 3.34Å; V160-F162 VanDerWaalsContact C-N 3.33Å; V160-F162 PolarHBondContact O-N 3.34Å; F162-L164 VanDerWaalsContact C-N 3.33Å; F162-L164 PolarHBondContact O-N 2.65Å; F162-I165 PolarHBondContact O-N 2.94Å; F162-R166 WeakPolarHBondContact O-CB 3.14Å; F162-R166 PolarHBondContact O-N 2.95Å; F162-T572 HydrophobicContact CB-CG2 3.73Å; F162-T572 HydrophobicContact CD2-CG2 4.28Å; F162-V604 HydrophobicContact CB-CG2 4.16Å; F162-V604 HydrophobicContact CD1-CG1 4.31Å; F162-V604 HydrophobicContact CD2-CG1 3.77Å; F162-V604 HydrophobicContact CE1-CG1 4.5Å; F162-V604 HydrophobicContact CE2-CG1 3.98Å; F162-V604 HydrophobicContact CG-CG1 3.96Å; F162-V604 HydrophobicContact CG-CG2 4.45Å; F162-V604 HydrophobicContact CZ-CG1 4.34Å; F162-I607 HydrophobicContact CD1-CB 4.17Å; F162-I607 HydrophobicContact CD1-CG2 3.69Å; F162-I607 HydrophobicContact CE1-CG2 4.03Å; F162-R608 HydrophobicContact CE1-CB 4.48Å
163V91.1Very high89.4Confident76 Ų7661.2 Ų61.246%0.46131%0.305SS..Hα-helixtrans-62.7-40.4174.9170.10000111.3G159 V160 R166 F167 I607G159-V163 VanDerWaalsContact O-CG2 3.32Å; G159-V163 WeakPolarHBondContact O-CG2 3.11Å; G159-V163 PolarHBondContact O-N 3.43Å; V160-V163 PolarHBondContact O-N 3.47Å; V163-R166 PolarHBondContact O-N 2.82Å; V163-F167 WeakPolarHBondContact O-CB 3.47Å; V163-F167 PolarHBondContact O-N 2.97Å; V163-I607 HydrophobicContact CG2-CD1 4.38Å; V163-I607 HydrophobicContact CG2-CG2 4.16Å
164L91Very high88.8Confident82 Ų8262.9 Ų62.943%0.42931%0.314SS..Hα-helixtrans-62.8-46.8174.4-69.9169.1000111.4V160 L161 F162 R166 F167 F168V160-L164 HydrophobicContact CG1-CD1 3.91Å; V160-L164 HydrophobicContact CG1-CG 4.44Å; V160-L164 VanDerWaalsContact O-CG 3.25Å; V160-L164 WeakPolarHBondContact O-CG 3.4Å; V160-L164 PolarHBondContact O-N 3.2Å; L161-L164 PolarHBondContact O-N 3.41Å; F162-L164 VanDerWaalsContact C-N 3.33Å; F162-L164 PolarHBondContact O-N 2.65Å; L164-R166 VanDerWaalsContact C-N 3.34Å; L164-R166 PolarHBondContact O-N 2.98Å; L164-F167 PolarHBondContact O-N 3.2Å; L164-F168 HydrophobicContact CB-CD2 4.43Å; L164-F168 HydrophobicContact CD2-CD2 4.22Å; L164-F168 HydrophobicContact CD2-CE2 3.8Å; L164-F168 WeakPolarHBondContact O-CB 3.39Å; L164-F168 VanDerWaalsContact O-CD2 3.3Å; L164-F168 WeakPolarHBondContact O-CD2 3.23Å; L164-F168 PolarHBondContact O-N 3.43Å
165I88.9Confident88.2Confident3 Ų363.6 Ų63.62%0.01532%0.319CS..Hα-helixtrans-60.6-43.9176-72.9160.8000111L161 F162 F167 I169 L170 F186 F486 F571 T572L161-I165 HydrophobicContact CD1-CD1 3.87Å; L161-I165 HydrophobicContact CD1-CG1 4.32Å; L161-I165 HydrophobicContact CG-CD1 3.83Å; L161-I165 WeakPolarHBondContact O-CB 3.4Å; L161-I165 WeakPolarHBondContact O-CD1 3.2Å; L161-I165 VanDerWaalsContact O-CG1 3.3Å; L161-I165 WeakPolarHBondContact O-CG1 3.45Å; L161-I165 PolarHBondContact O-N 3.46Å; F162-I165 PolarHBondContact O-N 2.94Å; I165-F167 PolarHBondContact O-N 3.36Å; I165-I169 HydrophobicContact CG2-CD1 4.45Å; I165-I169 WeakPolarHBondContact O-CA 3.45Å; I165-I169 WeakPolarHBondContact O-CB 3.21Å; I165-I169 PolarHBondContact O-N 3.06Å; I165-L170 HydrophobicContact CG2-CD1 4.19Å; I165-L170 HydrophobicContact CG2-CG 4.09Å; I165-L170 PolarHBondContact O-N 3.41Å; I165-L170 VanDerWaalsContact O-N 3.1Å; I165-F186 HydrophobicContact CD1-CZ 4.4Å; I165-F186 HydrophobicContact CG1-CZ 4.01Å; I165-F486 HydrophobicContact CG2-CE1 4.21Å; I165-F486 HydrophobicContact CG2-CE2 4.48Å; I165-F486 HydrophobicContact CG2-CZ 3.64Å; I165-F571 HydrophobicContact CD1-CD1 3.89Å; I165-F571 HydrophobicContact CD1-CE1 3.68Å; I165-T572 HydrophobicContact CD1-CG2 4.47Å; I165-T572 WeakPolarHBondContact CD1-OG1 3.4Å
166R86.8Confident87.6Confident71 Ų7164.1 Ų64.127%0.26832%0.32SS..Iπ-helixtrans-61.9-44.5177.9-167.6171.3-178-165.1-0.7111.6F162 V163 L164 L170 N171 E476F162-R166 WeakPolarHBondContact O-CB 3.14Å; F162-R166 PolarHBondContact O-N 2.95Å; V163-R166 PolarHBondContact O-N 2.82Å; L164-R166 VanDerWaalsContact C-N 3.34Å; L164-R166 PolarHBondContact O-N 2.98Å; R166-L170 HydrophobicContact CB-CD1 4.31Å; R166-L170 HydrophobicContact CG-CB 4.49Å; R166-L170 HydrophobicContact CG-CD1 4.44Å; R166-L170 PolarHBondContact O-N 3.16Å; R166-N171 VanDerWaalsContact CG-OD1 3.24Å; R166-N171 WeakPolarHBondContact CG-OD1 3.37Å; R166-N171 VanDerWaalsContact O-CB 3.3Å; R166-N171 WeakPolarHBondContact O-CB 3.33Å; R166-N171 PolarHBondContact O-N 2.73Å; R166-N171 PolarHBondContact O-OD1 3.39Å; R166-E476 IonicContact CZ-OE1 2.65Å; R166-E476 IonicContact CZ-OE2 3.41Å; R166-E476 IonicContact NE-OE1 3.44Å; R166-E476 PolarHBondContact NE-OE1 2.88Å; R166-E476 IonicContact NE-OE2 3.21Å; R166-E476 VanDerWaalsContact NH2-CD 3.29Å; R166-E476 IonicContact NH2-OE1 3.2Å; R166-E476 PolarHBondContact NH2-OE1 3.03Å; R166-E476 IonicContact NH2-OE2 3.52Å; R166-E476 PolarHBondContact NH2-OE2 3.16Å
167F87.8Confident87.1Confident130 Ų13061.6 Ų61.657%0.5731%0.311SS*.Iπ-helixtrans-72.9-40.6-179.6-174.9-99.5000114.3V163 L164 I165V163-F167 WeakPolarHBondContact O-CB 3.47Å; V163-F167 PolarHBondContact O-N 2.97Å; L164-F167 PolarHBondContact O-N 3.2Å; I165-F167 PolarHBondContact O-N 3.36Å
168F86.6Confident86.8Confident122 Ų12260.8 Ų60.854%0.53531%0.308SS..Iπ-helixtrans-91.5-25-174.6-74.2-69.7000114.5L164L164-F168 HydrophobicContact CB-CD2 4.43Å; L164-F168 HydrophobicContact CD2-CD2 4.22Å; L164-F168 HydrophobicContact CD2-CE2 3.8Å; L164-F168 WeakPolarHBondContact O-CB 3.39Å; L164-F168 VanDerWaalsContact O-CD2 3.3Å; L164-F168 WeakPolarHBondContact O-CD2 3.23Å; L164-F168 PolarHBondContact O-N 3.43Å
169I87.3Confident86.4Confident4 Ų460.8 Ų60.82%0.02131%0.308CS..Iπ-helixtrans-119.5-58.6-174.7-53.7173.6000111.2I165 P175 A182 F186 L485 F486I165-I169 HydrophobicContact CG2-CD1 4.45Å; I165-I169 WeakPolarHBondContact O-CA 3.45Å; I165-I169 WeakPolarHBondContact O-CB 3.21Å; I165-I169 PolarHBondContact O-N 3.06Å; I169-P175 WeakPolarHBondContact O-CA 3.47Å; I169-P175 WeakPolarHBondContact O-CB 3.35Å; I169-A182 HydrophobicContact CD1-CB 3.88Å; I169-F186 HydrophobicContact CD1-CE2 3.95Å; I169-F186 HydrophobicContact CD1-CZ 4.24Å; I169-L485 HydrophobicContact CG2-CD2 4.49Å; I169-F486 HydrophobicContact CD1-CZ 4.07Å; I169-F486 HydrophobicContact CG2-CE2 4.16Å; I169-F486 HydrophobicContact CG2-CZ 4.35Å
170L84.1Confident86.1Confident37 Ų3761.2 Ų61.219%0.19431%0.308CS..Iπ-helixtrans-73.3-45.7-167.2-52.2177.8000113.3I165 R166 K172 V482 F486I165-L170 HydrophobicContact CG2-CD1 4.19Å; I165-L170 HydrophobicContact CG2-CG 4.09Å; I165-L170 PolarHBondContact O-N 3.41Å; I165-L170 VanDerWaalsContact O-N 3.1Å; R166-L170 HydrophobicContact CB-CD1 4.31Å; R166-L170 HydrophobicContact CG-CB 4.49Å; R166-L170 HydrophobicContact CG-CD1 4.44Å; R166-L170 PolarHBondContact O-N 3.16Å; L170-K172 PolarHBondContact O-N 2.89Å; L170-V482 HydrophobicContact CD2-CG1 3.46Å; L170-V482 VanDerWaalsContact CD2-CG1 3.46Å; L170-F486 HydrophobicContact CD2-CE2 3.98Å
171N84.6Confident85.8Confident99 Ų9966.4 Ų66.453%0.52932%0.32SS..THydrogen-bonded Turntrans-8335.5-176.9-6517000112.6R166R166-N171 VanDerWaalsContact CG-OD1 3.24Å; R166-N171 WeakPolarHBondContact CG-OD1 3.37Å; R166-N171 VanDerWaalsContact O-CB 3.3Å; R166-N171 WeakPolarHBondContact O-CB 3.33Å; R166-N171 PolarHBondContact O-N 2.73Å; R166-N171 PolarHBondContact O-OD1 3.39Å
172K84.5Confident85.6Confident93 Ų9365.8 Ų65.840%0.40432%0.32SS..SBendtrans-117.5141.1177.1-66.7-61.8-179.2-170.10109.7L170 D174L170-K172 PolarHBondContact O-N 2.89Å; K172-D174 PolarHBondContact O-N 3.24Å
173E77.1Confident85.4Confident202 Ų20265.8 Ų65.894%0.94432%0.319SS*.SBendtrans-48.8-46.4179-64.8168.6-168.500111.7
174D79.4Confident85.4Confident109 Ų10962.8 Ų62.858%0.58330%0.302SS*.SBendtrans-113.3101.6167.9-83.4-40.2000110.6K172 P177 N178K172-D174 PolarHBondContact O-N 3.24Å; D174-P177 HydrophobicContact CB-CG 3.8Å; D174-N178 PolarHBondContact O-ND2 3.15Å; D174-N178 VanDerWaalsContact O-ND2 3.11Å
175P80.3Confident85.4Confident15 Ų1563.6 Ų63.610%0.09731%0.31CS..Hα-helixtrans-77.1-30.6-178.829.3-34.7000112.7I169 N178 G179 V482I169-P175 WeakPolarHBondContact O-CA 3.47Å; I169-P175 WeakPolarHBondContact O-CB 3.35Å; P175-N178 PolarHBondContact O-N 2.96Å; P175-G179 PolarHBondContact O-N 3.04Å; P175-V482 HydrophobicContact CB-CG2 3.71Å; P175-V482 HydrophobicContact CG-CG2 3.49Å; P175-V482 VanDerWaalsContact CG-CG2 3.49Å
176V80.3Confident85.4Confident17 Ų1764.9 Ų64.910%0.10332%0.315CS..Hα-helixtrans-58-53.7-176.7177.50000114.3N178 G179 L180 I242 Q481V176-N178 VanDerWaalsContact C-N 3.27Å; V176-N178 PolarHBondContact O-N 2.94Å; V176-G179 PolarHBondContact O-N 2.89Å; V176-L180 HydrophobicContact CG1-CD1 3.82Å; V176-L180 HydrophobicContact CG1-CG 4.2Å; V176-L180 WeakPolarHBondContact O-CB 3.35Å; V176-L180 VanDerWaalsContact O-CG 3.29Å; V176-L180 WeakPolarHBondContact O-CG 3.28Å; V176-L180 PolarHBondContact O-N 3.49Å; V176-I242 HydrophobicContact CG1-CD1 4.39Å; V176-Q481 HydrophobicContact CG2-CB 3.52Å; V176-Q481 HydrophobicContact CG2-CG 4.37Å
177P84.4Confident85.5Confident55 Ų5563.4 Ų63.436%0.35731%0.31SS..Hα-helixtrans-64.5-32.1-178.225.2-34.8000112.8D174 R181D174-P177 HydrophobicContact CB-CG 3.8Å; P177-R181 VanDerWaalsContact O-CG 3.29Å; P177-R181 WeakPolarHBondContact O-CG 3.43Å; P177-R181 PolarHBondContact O-N 3.45Å
178N85.9Confident85.7Confident49 Ų4958 Ų5826%0.26229%0.289SS..Hα-helixtrans-73.1-43.4176.6-65.8-45000111.1D174 P175 V176 L180 R181 A182D174-N178 PolarHBondContact O-ND2 3.15Å; D174-N178 VanDerWaalsContact O-ND2 3.11Å; P175-N178 PolarHBondContact O-N 2.96Å; V176-N178 VanDerWaalsContact C-N 3.27Å; V176-N178 PolarHBondContact O-N 2.94Å; N178-L180 PolarHBondContact O-N 3.45Å; N178-R181 WeakPolarHBondContact O-CB 3.37Å; N178-R181 PolarHBondContact O-N 3.33Å; N178-R181 VanDerWaalsContact O-N 3.16Å; N178-A182 PolarHBondContact O-N 3.42Å
179G84.5Confident85.9Confident1 Ų154.1 Ų54.11%0.0128%0.28CS..Hα-helixtrans-58.3-46.5171.500000113.2P175 V176 R181 A182 L183P175-G179 PolarHBondContact O-N 3.04Å; V176-G179 PolarHBondContact O-N 2.89Å; G179-R181 PolarHBondContact O-N 2.91Å; G179-A182 PolarHBondContact O-N 2.79Å; G179-L183 PolarHBondContact O-N 3.03Å
180L86.1Confident86Confident17 Ų1754.1 Ų54.19%0.08928%0.28CS..Hα-helixtrans-62.1-27.9175.5-71.5173.9000113.4V176 N178 L183 C235 M238 K239 I242 L485V176-L180 HydrophobicContact CG1-CD1 3.82Å; V176-L180 HydrophobicContact CG1-CG 4.2Å; V176-L180 WeakPolarHBondContact O-CB 3.35Å; V176-L180 VanDerWaalsContact O-CG 3.29Å; V176-L180 WeakPolarHBondContact O-CG 3.28Å; V176-L180 PolarHBondContact O-N 3.49Å; N178-L180 PolarHBondContact O-N 3.45Å; L180-L183 HydrophobicContact CD2-CD1 3.7Å; L180-C235 PolarHBondContact O-SG 3.46Å; L180-M238 HydrophobicContact CD2-CB 3.95Å; L180-K239 HydrophobicContact CD1-CB 3.81Å; L180-K239 HydrophobicContact CD1-CD 4.31Å; L180-K239 HydrophobicContact CD1-CG 4.12Å; L180-I242 HydrophobicContact CD2-CD1 4.5Å; L180-L485 HydrophobicContact CD2-CD1 4.17Å
181R87.8Confident86.3Confident180 Ų18054.3 Ų54.368%0.67928%0.281SS*.Hα-helixtrans-79-28.3172.2-74.2169176.3169.5-2112.9P177 N178 G179 P184P177-R181 VanDerWaalsContact O-CG 3.29Å; P177-R181 WeakPolarHBondContact O-CG 3.43Å; P177-R181 PolarHBondContact O-N 3.45Å; N178-R181 WeakPolarHBondContact O-CB 3.37Å; N178-R181 PolarHBondContact O-N 3.33Å; N178-R181 VanDerWaalsContact O-N 3.16Å; G179-R181 PolarHBondContact O-N 2.91Å; R181-P184 WeakPolarHBondContact O-CD 3.24Å
182A87.9Confident86.7Confident19 Ų1950.6 Ų50.616%0.15726%0.264CS..Hα-helixtrans-79.1-26.8175.300000113I169 N178 G179 V185 F186I169-A182 HydrophobicContact CD1-CB 3.88Å; N178-A182 PolarHBondContact O-N 3.42Å; G179-A182 PolarHBondContact O-N 2.79Å; A182-V185 WeakPolarHBondContact O-CB 3.25Å; A182-V185 PolarHBondContact O-N 3.35Å; A182-F186 HydrophobicContact CB-CD2 4.14Å; A182-F186 HydrophobicContact CB-CE2 3.66Å; A182-F186 HydrophobicContact CB-CZ 4.35Å; A182-F186 WeakPolarHBondContact O-CD2 3.37Å; A182-F186 PolarHBondContact O-N 3.07Å; A182-F186 VanDerWaalsContact O-N 3.1Å
183L86.8Confident87Confident0 Ų047.8 Ų47.80%025%0.253CS..Hα-helixtrans-46.9-52.8178.9-76.7178.5000114.1G179 L180 V185 F186 Y187 V230 M238 L485 L489G179-L183 PolarHBondContact O-N 3.03Å; L180-L183 HydrophobicContact CD2-CD1 3.7Å; L183-V185 PolarHBondContact O-N 3.18Å; L183-F186 PolarHBondContact O-N 2.8Å; L183-Y187 WeakPolarHBondContact O-CD2 3.32Å; L183-Y187 PolarHBondContact O-N 3.43Å; L183-V230 HydrophobicContact CB-CG1 4.47Å; L183-M238 HydrophobicContact CD1-CE 3.77Å; L183-M238 HydrophobicContact CD1-SD 3.42Å; L183-M238 WeakPolarHBondContact CD1-SD 3.24Å; L183-M238 HydrophobicContact CD2-CE 4.32Å; L183-M238 HydrophobicContact CD2-SD 4.37Å; L183-L485 HydrophobicContact CD1-CD1 4.04Å; L183-L485 HydrophobicContact CD2-CD1 4.18Å; L183-L485 HydrophobicContact CG-CD1 4.13Å; L183-L489 HydrophobicContact CD2-CD1 3.75Å; L183-L489 HydrophobicContact CD2-CD2 3.61Å; L183-L489 HydrophobicContact CD2-CG 3.52Å
184P90.7Very high87.6Confident14 Ų1439.2 Ų39.29%0.09121%0.214CC..Hα-helixtrans-59-34.1179.1-24.836.4000113.2R181 A188 A227 V230 W231R181-P184 WeakPolarHBondContact O-CD 3.24Å; P184-A188 WeakPolarHBondContact O-CB 3.33Å; P184-A188 PolarHBondContact O-N 3.36Å; P184-A227 HydrophobicContact CB-CB 4.22Å; P184-V230 HydrophobicContact CB-CG1 4.39Å; P184-V230 HydrophobicContact CG-CG1 4.22Å; P184-W231 HydrophobicContact CB-CB 4.49Å; P184-W231 HydrophobicContact CG-CB 3.9Å; P184-W231 HydrophobicContact CG-CG 4.47Å
185V90.9Very high88.1Confident98 Ų9835.5 Ų35.559%0.59419%0.194SC*.Hα-helixtrans-71-43.5-178.9-175.40000110.9A182 L183 A188 A189A182-V185 WeakPolarHBondContact O-CB 3.25Å; A182-V185 PolarHBondContact O-N 3.35Å; L183-V185 PolarHBondContact O-N 3.18Å; V185-A188 PolarHBondContact O-N 2.92Å; V185-A189 WeakPolarHBondContact O-CB 3.42Å; V185-A189 PolarHBondContact O-N 3.19Å
186F89.5Confident88.6Confident30 Ų3037.8 Ų37.813%0.13220%0.203CC..Hα-helixtrans-65.7-42.9176.5-65.8-51.2000112.4L161 I165 I169 A182 L183 T190 L489 F571 L575L161-F186 HydrophobicContact CD1-CE1 4.17Å; I165-F186 HydrophobicContact CD1-CZ 4.4Å; I165-F186 HydrophobicContact CG1-CZ 4.01Å; I169-F186 HydrophobicContact CD1-CE2 3.95Å; I169-F186 HydrophobicContact CD1-CZ 4.24Å; A182-F186 HydrophobicContact CB-CD2 4.14Å; A182-F186 HydrophobicContact CB-CE2 3.66Å; A182-F186 HydrophobicContact CB-CZ 4.35Å; A182-F186 WeakPolarHBondContact O-CD2 3.37Å; A182-F186 PolarHBondContact O-N 3.07Å; A182-F186 VanDerWaalsContact O-N 3.1Å; L183-F186 PolarHBondContact O-N 2.8Å; F186-T190 WeakPolarHBondContact O-CB 3.22Å; F186-T190 PolarHBondContact O-N 2.89Å; F186-T190 PolarHBondContact O-OG1 3.02Å; F186-L489 HydrophobicContact CB-CD2 4.13Å; F186-L489 HydrophobicContact CD2-CD1 4.11Å; F186-L489 HydrophobicContact CD2-CD2 4.34Å; F186-L489 HydrophobicContact CE2-CD1 4.48Å; F186-F571 HydrophobicContact CB-CZ 4.13Å; F186-F571 HydrophobicContact CD1-CE1 4.31Å; F186-F571 AromaticContact CD1-CZ 3.79Å; F186-F571 HydrophobicContact CD1-CZ 3.79Å; F186-F571 HydrophobicContact CD2-CE1 4.39Å; F186-F571 AromaticContact CD2-CZ 3.93Å; F186-F571 HydrophobicContact CD2-CZ 3.93Å; F186-F571 HydrophobicContact CE1-CE1 4.18Å; F186-F571 HydrophobicContact CE1-CZ 4.13Å; F186-F571 HydrophobicContact CE2-CE1 4.24Å; F186-F571 HydrophobicContact CE2-CZ 4.24Å; F186-F571 HydrophobicContact CG-CE1 4.43Å; F186-F571 AromaticContact CG-CZ 3.7Å; F186-F571 HydrophobicContact CG-CZ 3.7Å; F186-F571 HydrophobicContact CZ-CE1 4.14Å; F186-F571 HydrophobicContact CZ-CZ 4.34Å; F186-L575 HydrophobicContact CD1-CD2 4.38Å
187Y89.6Confident89Confident41 Ų4137 Ų3716%0.16120%0.198CC..Hα-helixtrans-62.6-45.9173.5-87.7-103.5000111.3L183 T190 I191 V230 L489 L492L183-Y187 WeakPolarHBondContact O-CD2 3.32Å; L183-Y187 PolarHBondContact O-N 3.43Å; Y187-T190 PolarHBondContact O-N 3.19Å; Y187-I191 WeakPolarHBondContact O-CB 3.32Å; Y187-I191 VanDerWaalsContact O-CG1 3.3Å; Y187-I191 WeakPolarHBondContact O-CG1 3.48Å; Y187-I191 PolarHBondContact O-N 3.13Å; Y187-V230 HydrophobicContact CD1-CG2 3.74Å; Y187-V230 HydrophobicContact CD2-CG1 4.21Å; Y187-V230 HydrophobicContact CE1-CG2 4.39Å; Y187-V230 HydrophobicContact CG-CG1 4.25Å; Y187-V230 HydrophobicContact CG-CG2 3.81Å; Y187-L489 HydrophobicContact CD2-CD2 4.27Å; Y187-L489 HydrophobicContact CE2-CD2 3.97Å; Y187-L492 HydrophobicContact CD1-CD1 4.28Å; Y187-L492 HydrophobicContact CD1-CD2 3.78Å; Y187-L492 HydrophobicContact CD2-CD2 3.87Å; Y187-L492 HydrophobicContact CE1-CD1 3.83Å; Y187-L492 HydrophobicContact CE1-CD2 3.72Å; Y187-L492 HydrophobicContact CE1-CG 4.3Å; Y187-L492 HydrophobicContact CE2-CD2 3.82Å; Y187-L492 HydrophobicContact CG-CD2 3.86Å
188A91.6Very high89.1Confident15 Ų1536.1 Ų36.112%0.12419%0.19CC..Hα-helixtrans-59.3-48.8177.400000111.8P184 V185 T190 I191 A192 S223 A227P184-A188 WeakPolarHBondContact O-CB 3.33Å; P184-A188 PolarHBondContact O-N 3.36Å; V185-A188 PolarHBondContact O-N 2.92Å; A188-T190 PolarHBondContact O-N 3.46Å; A188-I191 PolarHBondContact O-N 2.76Å; A188-A192 VanDerWaalsContact O-CB 3.27Å; A188-A192 WeakPolarHBondContact O-CB 3.48Å; A188-A192 PolarHBondContact O-N 3.4Å; A188-S223 WeakPolarHBondContact O-CB 3.24Å; A188-A227 HydrophobicContact CB-CB 3.93Å
189A90.3Very high89.1Confident42 Ų4235 Ų3535%0.34718%0.184SC..Hα-helixtrans-58.2-48.1177.700000111.5V185 I191 A192 I193V185-A189 WeakPolarHBondContact O-CB 3.42Å; V185-A189 PolarHBondContact O-N 3.19Å; A189-I191 PolarHBondContact O-N 3.45Å; A189-A192 PolarHBondContact O-N 3.13Å; A189-I193 WeakPolarHBondContact O-CB 3.33Å; A189-I193 VanDerWaalsContact O-CD1 3.3Å; A189-I193 WeakPolarHBondContact O-CD1 3.48Å; A189-I193 VanDerWaalsContact O-CG1 3.23Å; A189-I193 WeakPolarHBondContact O-CG1 3.27Å; A189-I193 PolarHBondContact O-N 2.92Å
190T89.8Confident89.1Confident4 Ų439.8 Ų39.83%0.02520%0.202CC..Hα-helixtrans-60.7-45178.5-54.40000111.5F186 Y187 A188 N194 F496F186-T190 WeakPolarHBondContact O-CB 3.22Å; F186-T190 PolarHBondContact O-N 2.89Å; F186-T190 PolarHBondContact O-OG1 3.02Å; Y187-T190 PolarHBondContact O-N 3.19Å; A188-T190 PolarHBondContact O-N 3.46Å; T190-N194 PolarHBondContact O-N 3.1Å; T190-N194 VanDerWaalsContact O-N 3.15Å; T190-N194 PolarHBondContact O-ND2 3.38Å; T190-F496 HydrophobicContact CG2-CB 3.93Å; T190-F496 HydrophobicContact CG2-CD1 3.96Å; T190-F496 HydrophobicContact CG2-CD2 4.28Å; T190-F496 HydrophobicContact CG2-CG 3.78Å
191I91.4Very high88.5Confident41 Ų4139.4 Ų39.421%0.2120%0.2CC..Hα-helixtrans-66.5-41.9176.7-66.8-63.8000111.3Y187 A188 A189 I193 N194 V195 V222 F226Y187-I191 WeakPolarHBondContact O-CB 3.32Å; Y187-I191 VanDerWaalsContact O-CG1 3.3Å; Y187-I191 WeakPolarHBondContact O-CG1 3.48Å; Y187-I191 PolarHBondContact O-N 3.13Å; A188-I191 PolarHBondContact O-N 2.76Å; A189-I191 PolarHBondContact O-N 3.45Å; I191-I193 PolarHBondContact O-N 2.68Å; I191-N194 PolarHBondContact O-N 3.05Å; I191-V195 HydrophobicContact CG2-CG2 4Å; I191-V195 WeakPolarHBondContact O-CB 3.35Å; I191-V195 VanDerWaalsContact O-CG2 3.27Å; I191-V195 WeakPolarHBondContact O-CG2 3.14Å; I191-V195 PolarHBondContact O-N 2.91Å; I191-V222 HydrophobicContact CG2-CG1 4.04Å; I191-F226 HydrophobicContact CG1-CB 4.39Å; I191-F226 HydrophobicContact CG1-CD1 4.43Å; I191-F226 HydrophobicContact CG1-CG 4.34Å; I191-F226 HydrophobicContact CG2-CB 4.49Å; I191-F226 HydrophobicContact CG2-CD2 4.27Å; I191-F226 HydrophobicContact CG2-CG 4.39Å
192A92Very high87.5Confident20 Ų2030.9 Ų30.917%0.16517%0.169CC..Hα-helixtrans-59.6-48.9178.900000111.4A188 A189 N194 F196 S219A188-A192 VanDerWaalsContact O-CB 3.27Å; A188-A192 WeakPolarHBondContact O-CB 3.48Å; A188-A192 PolarHBondContact O-N 3.4Å; A189-A192 PolarHBondContact O-N 3.13Å; A192-N194 PolarHBondContact O-N 2.92Å; A192-F196 WeakPolarHBondContact O-CB 3.42Å; A192-F196 PolarHBondContact O-N 3.18Å; A192-S219 VanDerWaalsContact C-OG 3.29Å; A192-S219 VanDerWaalsContact CA-OG 3.25Å; A192-S219 WeakPolarHBondContact CA-OG 3.48Å; A192-S219 PolarHBondContact O-OG 3.37Å
193I90.4Very high86Confident35 Ų3530.6 Ų30.618%0.17917%0.166CC..Hα-helixtrans-59-48.5178.6-68.6158000110.5A189 I191 S197 F496 F579 V582A189-I193 WeakPolarHBondContact O-CB 3.33Å; A189-I193 VanDerWaalsContact O-CD1 3.3Å; A189-I193 WeakPolarHBondContact O-CD1 3.48Å; A189-I193 VanDerWaalsContact O-CG1 3.23Å; A189-I193 WeakPolarHBondContact O-CG1 3.27Å; A189-I193 PolarHBondContact O-N 2.92Å; I191-I193 PolarHBondContact O-N 2.68Å; I193-S197 WeakPolarHBondContact O-CB 2.9Å; I193-S197 PolarHBondContact O-N 3.02Å; I193-F496 HydrophobicContact CG2-CE2 4.3Å; I193-F496 HydrophobicContact CG2-CZ 3.83Å; I193-F579 HydrophobicContact CD1-CD2 3.48Å; I193-F579 VanDerWaalsContact CD1-CD2 3.48Å; I193-F579 HydrophobicContact CD1-CE2 3.86Å; I193-F579 HydrophobicContact CD1-CG 4.35Å; I193-F579 HydrophobicContact CG1-CD2 3.91Å; I193-F579 HydrophobicContact CG1-CE2 3.97Å; I193-F579 HydrophobicContact CG2-CD2 4.01Å; I193-F579 HydrophobicContact CG2-CE2 4.5Å; I193-V582 HydrophobicContact CG2-CB 4.42Å; I193-V582 HydrophobicContact CG2-CG1 3.87Å
194N90.1Very high84.6Confident22 Ų2235.4 Ų35.412%0.11820%0.198CC..Hα-helixtrans-65.7-48.3-179.8-76-57.8000112.6T190 I191 A192 F196 S197 I198 F496 F499T190-N194 PolarHBondContact O-N 3.1Å; T190-N194 VanDerWaalsContact O-N 3.15Å; T190-N194 PolarHBondContact O-ND2 3.38Å; I191-N194 PolarHBondContact O-N 3.05Å; A192-N194 PolarHBondContact O-N 2.92Å; N194-F196 VanDerWaalsContact C-N 3.35Å; N194-F196 PolarHBondContact O-N 3.34Å; N194-S197 PolarHBondContact O-N 3.01Å; N194-I198 WeakPolarHBondContact O-CB 3.5Å; N194-I198 WeakPolarHBondContact O-CD1 3.27Å; N194-I198 VanDerWaalsContact O-CG1 3.23Å; N194-I198 WeakPolarHBondContact O-CG1 3.42Å; N194-I198 PolarHBondContact O-N 3.42Å; N194-F496 WeakPolarHBondContact ND2-CD2 3.16Å; N194-F496 WeakPolarHBondContact ND2-CE2 3.48Å; N194-F496 WeakPolarHBondContact OD1-CD2 3.44Å; N194-F496 WeakPolarHBondContact OD1-CE2 3.49Å; N194-F499 WeakPolarHBondContact OD1-CD1 3.48Å; N194-F499 WeakPolarHBondContact OD1-CE1 3.36Å
195V90.2Very high83Confident30 Ų3036.8 Ų36.818%0.18221%0.206CC..Hα-helixtrans-62.9-42.5179173.40000110.8I191 M199 V222I191-V195 HydrophobicContact CG2-CG2 4Å; I191-V195 WeakPolarHBondContact O-CB 3.35Å; I191-V195 VanDerWaalsContact O-CG2 3.27Å; I191-V195 WeakPolarHBondContact O-CG2 3.14Å; I191-V195 PolarHBondContact O-N 2.91Å; V195-M199 HydrophobicContact CG1-CG 4.33Å; V195-M199 HydrophobicContact CG1-SD 3.76Å; V195-M199 VanDerWaalsContact O-CB 3.27Å; V195-M199 WeakPolarHBondContact O-CB 3.31Å; V195-M199 VanDerWaalsContact O-CG 3.25Å; V195-M199 WeakPolarHBondContact O-CG 3.28Å; V195-M199 PolarHBondContact O-N 2.8Å; V195-V222 HydrophobicContact CG2-CG1 4.1Å
196F90.6Very high81.7Confident64 Ų6436.1 Ų36.128%0.28120%0.198SC..Hα-helixtrans-60.1-47.8174.5-178.5-87.6000111.2A192 N194 M199 Y200 I215 A216A192-F196 WeakPolarHBondContact O-CB 3.42Å; A192-F196 PolarHBondContact O-N 3.18Å; N194-F196 VanDerWaalsContact C-N 3.35Å; N194-F196 PolarHBondContact O-N 3.34Å; F196-M199 PolarHBondContact O-N 3.44Å; F196-Y200 HydrophobicContact CE1-CG 4.19Å; F196-Y200 HydrophobicContact CZ-CD2 4.5Å; F196-Y200 HydrophobicContact CZ-CG 4.38Å; F196-Y200 WeakPolarHBondContact O-CB 3.23Å; F196-Y200 PolarHBondContact O-N 3.02Å; F196-I215 HydrophobicContact CD2-CG2 3.78Å; F196-I215 HydrophobicContact CE2-CG2 4.06Å; F196-I215 HydrophobicContact CG-CG2 4.38Å; F196-A216 HydrophobicContact CD2-CB 4.48Å; F196-A216 HydrophobicContact CE2-CB 4.31Å
197S88.3Confident80.6Confident0 Ų037.8 Ų37.80%022%0.224CC..Hα-helixtrans-61.5-47.1-180-177.30000112.6L62 I193 N194 M199 Y200 T201 V582 N586L62-S197 WeakPolarHBondContact CD1-OG 3.3Å; L62-S197 WeakPolarHBondContact CD2-OG 3.32Å; I193-S197 WeakPolarHBondContact O-CB 2.9Å; I193-S197 PolarHBondContact O-N 3.02Å; N194-S197 PolarHBondContact O-N 3.01Å; S197-M199 PolarHBondContact O-N 2.79Å; S197-Y200 PolarHBondContact O-N 3.15Å; S197-T201 VanDerWaalsContact O-CB 3.25Å; S197-T201 WeakPolarHBondContact O-CB 3.13Å; S197-T201 PolarHBondContact O-N 2.87Å; S197-T201 PolarHBondContact O-OG1 2.83Å; S197-V582 WeakPolarHBondContact OG-CG1 3.41Å; S197-N586 WeakPolarHBondContact CB-ND2 3.45Å; S197-N586 PolarHBondContact OG-ND2 3.23Å; S197-N586 PolarHBondContact OG-OD1 3.12Å
198I87.5Confident79.6Confident36 Ų3639.9 Ų39.919%0.18524%0.237CC..Hα-helixtrans-63.4-42.3177.5-65.9161.6000110.8L61 L62 N194 G202 A203 L206 F499L61-I198 HydrophobicContact CB-CG1 4.22Å; L61-I198 HydrophobicContact CD1-CD1 3.87Å; L61-I198 HydrophobicContact CD1-CG1 4.07Å; L61-I198 HydrophobicContact CD1-CG2 4.27Å; L62-I198 HydrophobicContact CD2-CG1 4.39Å; N194-I198 WeakPolarHBondContact O-CB 3.5Å; N194-I198 WeakPolarHBondContact O-CD1 3.27Å; N194-I198 VanDerWaalsContact O-CG1 3.23Å; N194-I198 WeakPolarHBondContact O-CG1 3.42Å; N194-I198 PolarHBondContact O-N 3.42Å; I198-G202 CarbonylContact O-C 3.59Å; I198-G202 VanDerWaalsContact O-C 3.26Å; I198-G202 WeakPolarHBondContact O-CA 3.18Å; I198-G202 PolarHBondContact O-N 2.86Å; I198-A203 PolarHBondContact O-N 2.91Å; I198-L206 HydrophobicContact CG2-CD1 3.82Å; I198-F499 HydrophobicContact CD1-CE2 4.48Å; I198-F499 HydrophobicContact CD1-CZ 3.8Å; I198-F499 HydrophobicContact CG1-CE1 4.49Å; I198-F499 HydrophobicContact CG1-CZ 3.79Å
199M85.9Confident78.6Confident27 Ų2746.1 Ų46.113%0.13327%0.274CS..Hα-helixtrans-78.3-27.4-178.5-71-175.171.800114.2V195 F196 S197 A203 L210 I215 I218V195-M199 HydrophobicContact CG1-CG 4.33Å; V195-M199 HydrophobicContact CG1-SD 3.76Å; V195-M199 VanDerWaalsContact O-CB 3.27Å; V195-M199 WeakPolarHBondContact O-CB 3.31Å; V195-M199 VanDerWaalsContact O-CG 3.25Å; V195-M199 WeakPolarHBondContact O-CG 3.28Å; V195-M199 PolarHBondContact O-N 2.8Å; F196-M199 PolarHBondContact O-N 3.44Å; S197-M199 PolarHBondContact O-N 2.79Å; M199-A203 WeakPolarHBondContact O-CB 3.35Å; M199-L210 HydrophobicContact CE-CD1 3.6Å; M199-I215 HydrophobicContact CB-CB 4.46Å; M199-I215 HydrophobicContact CB-CG1 4.26Å; M199-I215 HydrophobicContact CB-CG2 3.56Å; M199-I215 HydrophobicContact CE-CG1 4.39Å; M199-I215 WeakPolarHBondContact O-CD1 3.38Å; M199-I218 HydrophobicContact CE-CB 4.12Å; M199-I218 HydrophobicContact CE-CD1 3.78Å; M199-I218 HydrophobicContact CE-CG2 3.88Å; M199-I218 HydrophobicContact SD-CB 4.18Å; M199-I218 HydrophobicContact SD-CG2 3.64Å
200Y83.4Confident78.2Confident100 Ų10047.4 Ų47.439%0.39227%0.274SS..Hα-helixtrans-83-46.6177.1179.6-106.3000111.5F196 S197 M212 N586F196-Y200 HydrophobicContact CE1-CG 4.19Å; F196-Y200 HydrophobicContact CZ-CD2 4.5Å; F196-Y200 HydrophobicContact CZ-CG 4.38Å; F196-Y200 WeakPolarHBondContact O-CB 3.23Å; F196-Y200 PolarHBondContact O-N 3.02Å; S197-Y200 PolarHBondContact O-N 3.15Å; Y200-M212 HydrophobicContact CD2-CG 4.13Å; Y200-M212 HydrophobicContact CD2-SD 4.23Å; Y200-M212 HydrophobicContact CE2-CG 3.85Å; Y200-M212 HydrophobicContact CE2-SD 3.53Å; Y200-M212 VanDerWaalsContact CE2-SD 3.53Å; Y200-N586 HydrophobicContact CD1-CB 4.24Å; Y200-N586 HydrophobicContact CE1-CB 4.49Å
201T73.7Confident78.1Confident9 Ų950 Ų506%0.05529%0.291CS..Hα-helixtrans-101.1-34.8-168.6-390000111.9K65 S197 P204 N586K65-T201 HydrophobicContact CB-CG2 3.38Å; K65-T201 HydrophobicContact CG-CG2 3.8Å; S197-T201 VanDerWaalsContact O-CB 3.25Å; S197-T201 WeakPolarHBondContact O-CB 3.13Å; S197-T201 PolarHBondContact O-N 2.87Å; S197-T201 PolarHBondContact O-OG1 2.83Å; T201-P204 WeakPolarHBondContact O-CD 3.35Å; T201-N586 VanDerWaalsContact OG1-CG 3.27Å; T201-N586 PolarHBondContact OG1-OD1 3.26Å
202G67.3Low77.8Confident1 Ų153.8 Ų53.81%0.0131%0.31CS..SBendtrans-87.1-2.1172.800000114.3L61 I198 P204 V205 L206L61-G202 WeakPolarHBondContact O-CA 3.37Å; I198-G202 CarbonylContact O-C 3.59Å; I198-G202 VanDerWaalsContact O-C 3.26Å; I198-G202 WeakPolarHBondContact O-CA 3.18Å; I198-G202 PolarHBondContact O-N 2.86Å; G202-P204 VanDerWaalsContact C-CD 3.42Å; G202-P204 VanDerWaalsContact C-N 3.32Å; G202-V205 WeakPolarHBondContact O-CA 3.27Å; G202-V205 WeakPolarHBondContact O-CB 3.5Å; G202-V205 PolarHBondContact O-N 3.37Å; G202-L206 PolarHBondContact O-N 3.22Å
203A56.4Low77.7Confident13 Ų1361.7 Ų61.711%0.10734%0.335CS..Hα-helixtrans-46-45.1175.400000114.3I198 M199 V205 L206 G207 L208I198-A203 PolarHBondContact O-N 2.91Å; M199-A203 WeakPolarHBondContact O-CB 3.35Å; A203-V205 VanDerWaalsContact C-N 3.34Å; A203-V205 PolarHBondContact O-N 3.09Å; A203-L206 CarbonylContact O-C 3.59Å; A203-L206 PolarHBondContact O-N 3.11Å; A203-G207 PolarHBondContact O-N 3.06Å; A203-L208 WeakPolarHBondContact CB-O 3.15Å; A203-L208 PolarHBondContact O-N 3.46Å
204P57.1Low77.7Confident102 Ų10260.6 Ų60.666%0.66233%0.332SS*.Hα-helixtrans-66.1-32.8177.2-21.234.1000113.6T201 G202 L206T201-P204 WeakPolarHBondContact O-CD 3.35Å; G202-P204 VanDerWaalsContact C-CD 3.42Å; G202-P204 VanDerWaalsContact C-N 3.32Å; P204-L206 VanDerWaalsContact C-N 3.34Å
205V57.8Low77.7Confident43 Ų4359.8 Ų59.826%0.26133%0.327SS..Hα-helixtrans-72.1-31.8175.9175.80000111A64 G202 A203 V533A64-V205 HydrophobicContact CB-CG2 4.23Å; G202-V205 WeakPolarHBondContact O-CA 3.27Å; G202-V205 WeakPolarHBondContact O-CB 3.5Å; G202-V205 PolarHBondContact O-N 3.37Å; A203-V205 VanDerWaalsContact C-N 3.34Å; A203-V205 PolarHBondContact O-N 3.09Å; V205-V533 HydrophobicContact CG1-CG1 4.23Å; V205-V533 HydrophobicContact CG1-CG2 3.8Å
206L63.3Low77.7Confident83 Ų8360.2 Ų60.244%0.43533%0.334SS..Hα-helixtrans-89.8-5.2178.6-64.7171.1000113.9I198 G202 A203 P204 L208I198-L206 HydrophobicContact CG2-CD1 3.82Å; G202-L206 PolarHBondContact O-N 3.22Å; A203-L206 CarbonylContact O-C 3.59Å; A203-L206 PolarHBondContact O-N 3.11Å; P204-L206 VanDerWaalsContact C-N 3.34Å; L206-L208 HydrophobicContact CB-CD1 4.17Å; L206-L208 HydrophobicContact CB-CG 4.22Å; L206-L208 PolarHBondContact O-N 2.7Å
207G65.1Low77.8Confident65 Ų6562.8 Ų62.867%0.6735%0.35SS*.THydrogen-bonded Turntrans67.317-175.400000114.7A203A203-G207 PolarHBondContact O-N 3.06Å
208L68.8Low78Confident85 Ų8566.2 Ų66.245%0.44537%0.367SS..  trans-101.5114.2-175-67.7174.9000111A203 L206A203-L208 WeakPolarHBondContact CB-O 3.15Å; A203-L208 PolarHBondContact O-N 3.46Å; L206-L208 HydrophobicContact CB-CD1 4.17Å; L206-L208 HydrophobicContact CB-CG 4.22Å; L206-L208 PolarHBondContact O-N 2.7Å
209V71.8Confident78.3Confident147 Ų14764.7 Ų64.789%0.89136%0.36SS*.  trans-103.291.7172.9-172.30000108.9
210L81.2Confident78.7Confident68 Ų6867 Ų6736%0.35638%0.375SS..  trans-115.9143.3-180-67.3174.7000111.1M199 I215 I218M199-L210 HydrophobicContact CE-CD1 3.6Å; L210-I215 HydrophobicContact CB-CD1 4.17Å; L210-I215 HydrophobicContact CB-CG1 3.81Å; L210-I215 WeakPolarHBondContact O-CD1 3.48Å; L210-I218 HydrophobicContact CD1-CD1 4.22Å
211P87.4Confident79.2Confident59 Ų5963.6 Ų63.638%0.38337%0.371SS..  trans-70.4148.717530.7-35.2000111W213 A214 I215P211-W213 HydrophobicContact CG-CD2 4.35Å; P211-W213 HydrophobicContact CG-CZ2 3.88Å; P211-W213 PolarHBondContact O-N 3.36Å; P211-W213 VanDerWaalsContact O-N 3.08Å; P211-A214 HydrophobicContact CG-CB 3.86Å; P211-A214 WeakPolarHBondContact O-CB 3.33Å; P211-A214 PolarHBondContact O-N 3.27Å; P211-I215 PolarHBondContact O-N 3.15Å; P211-I215 VanDerWaalsContact O-N 3.16Å
212M85.8Confident80.2Confident120 Ų12065.4 Ų65.459%0.59138%0.382SS*.Hα-helixtrans-53.7-35.8-174.1-67.2-160.1-64.200114.4Y200 A214 I215 A216Y200-M212 HydrophobicContact CD2-CG 4.13Å; Y200-M212 HydrophobicContact CD2-SD 4.23Å; Y200-M212 HydrophobicContact CE2-CG 3.85Å; Y200-M212 HydrophobicContact CE2-SD 3.53Å; Y200-M212 VanDerWaalsContact CE2-SD 3.53Å; M212-A214 VanDerWaalsContact C-N 3.34Å; M212-A214 PolarHBondContact O-N 2.88Å; M212-I215 PolarHBondContact O-N 3.23Å; M212-A216 WeakPolarHBondContact O-CB 3.47Å; M212-A216 PolarHBondContact O-N 3.41Å
213W89.6Confident81.5Confident186 Ų18665.7 Ų65.771%0.70538%0.384SS*.Hα-helixtrans-66.9-33.8178.264.6-100.2000112.6P211 L217P211-W213 HydrophobicContact CG-CD2 4.35Å; P211-W213 HydrophobicContact CG-CZ2 3.88Å; P211-W213 PolarHBondContact O-N 3.36Å; P211-W213 VanDerWaalsContact O-N 3.08Å; W213-L217 WeakPolarHBondContact O-CB 3.22Å; W213-L217 PolarHBondContact O-N 3.4Å
214A90.1Very high83.4Confident13 Ų1370.1 Ų70.111%0.10741%0.405CS..Hα-helixtrans-73.2-39.5176.300000110.6P211 M212 L217 I218P211-A214 HydrophobicContact CG-CB 3.86Å; P211-A214 WeakPolarHBondContact O-CB 3.33Å; P211-A214 PolarHBondContact O-N 3.27Å; M212-A214 VanDerWaalsContact C-N 3.34Å; M212-A214 PolarHBondContact O-N 2.88Å; A214-L217 PolarHBondContact O-N 3.34Å; A214-I218 WeakPolarHBondContact O-CB 3.39Å; A214-I218 WeakPolarHBondContact O-CD1 3.48Å; A214-I218 VanDerWaalsContact O-CG1 3.25Å; A214-I218 WeakPolarHBondContact O-CG1 3.4Å; A214-I218 PolarHBondContact O-N 3.03Å
215I89.9Confident85.1Confident5 Ų570.3 Ų70.33%0.02640%0.4CS..Hα-helixtrans-60.4-46.4173.3-64.4167.9000110.7F196 M199 L210 P211 M212 I218 S219F196-I215 HydrophobicContact CD2-CG2 3.78Å; F196-I215 HydrophobicContact CE2-CG2 4.06Å; F196-I215 HydrophobicContact CG-CG2 4.38Å; M199-I215 HydrophobicContact CB-CB 4.46Å; M199-I215 HydrophobicContact CB-CG1 4.26Å; M199-I215 HydrophobicContact CB-CG2 3.56Å; M199-I215 HydrophobicContact CE-CG1 4.39Å; M199-I215 WeakPolarHBondContact O-CD1 3.38Å; L210-I215 HydrophobicContact CB-CD1 4.17Å; L210-I215 HydrophobicContact CB-CG1 3.81Å; L210-I215 WeakPolarHBondContact O-CD1 3.48Å; P211-I215 PolarHBondContact O-N 3.15Å; P211-I215 VanDerWaalsContact O-N 3.16Å; M212-I215 PolarHBondContact O-N 3.23Å; I215-I218 PolarHBondContact O-N 2.86Å; I215-S219 VanDerWaalsContact O-CB 3.29Å; I215-S219 WeakPolarHBondContact O-CB 3.29Å; I215-S219 PolarHBondContact O-N 2.84Å
216A90.5Very high86.8Confident38 Ų3872.6 Ų72.631%0.31441%0.406SS..Hα-helixtrans-60.7-45175.300000112F196 M212 I218 S219 V220F196-A216 HydrophobicContact CD2-CB 4.48Å; F196-A216 HydrophobicContact CE2-CB 4.31Å; M212-A216 WeakPolarHBondContact O-CB 3.47Å; M212-A216 PolarHBondContact O-N 3.41Å; A216-I218 PolarHBondContact O-N 2.86Å; A216-S219 PolarHBondContact O-N 2.89Å; A216-V220 WeakPolarHBondContact O-CB 3.31Å; A216-V220 WeakPolarHBondContact O-CG2 3.33Å; A216-V220 PolarHBondContact O-N 2.92Å
217L93.4Very high88.2Confident119 Ų11969.3 Ų69.362%0.62339%0.391SS*.Hα-helixtrans-63.7-41.6178.5-17366.7000112.4W213 A214 V220 G221W213-L217 WeakPolarHBondContact O-CB 3.22Å; W213-L217 PolarHBondContact O-N 3.4Å; A214-L217 PolarHBondContact O-N 3.34Å; L217-V220 PolarHBondContact O-N 2.81Å; L217-G221 PolarHBondContact O-N 2.75Å
218I92.1Very high89.6Confident71 Ų7169.9 Ų69.936%0.36438%0.382SS..Hα-helixtrans-68-43.5177.5-67.7164.2000110.5M199 L210 A214 I215 A216 V220 G221 V222M199-I218 HydrophobicContact CE-CB 4.12Å; M199-I218 HydrophobicContact CE-CD1 3.78Å; M199-I218 HydrophobicContact CE-CG2 3.88Å; M199-I218 HydrophobicContact SD-CB 4.18Å; M199-I218 HydrophobicContact SD-CG2 3.64Å; L210-I218 HydrophobicContact CD1-CD1 4.22Å; A214-I218 WeakPolarHBondContact O-CB 3.39Å; A214-I218 WeakPolarHBondContact O-CD1 3.48Å; A214-I218 VanDerWaalsContact O-CG1 3.25Å; A214-I218 WeakPolarHBondContact O-CG1 3.4Å; A214-I218 PolarHBondContact O-N 3.03Å; I215-I218 PolarHBondContact O-N 2.86Å; A216-I218 PolarHBondContact O-N 2.86Å; I218-V220 PolarHBondContact O-N 2.55Å; I218-G221 PolarHBondContact O-N 2.93Å; I218-V222 HydrophobicContact CG2-CG2 4.27Å; I218-V222 WeakPolarHBondContact O-CB 3.39Å; I218-V222 WeakPolarHBondContact O-CG2 3.47Å; I218-V222 PolarHBondContact O-N 2.77Å
219S93.4Very high90.8Very high5 Ų569.4 Ų69.44%0.03538%0.379CS..Hα-helixtrans-57.6-46.3173.71620000112.2A192 I215 A216 S223A192-S219 VanDerWaalsContact C-OG 3.29Å; A192-S219 VanDerWaalsContact CA-OG 3.25Å; A192-S219 WeakPolarHBondContact CA-OG 3.48Å; A192-S219 PolarHBondContact O-OG 3.37Å; I215-S219 VanDerWaalsContact O-CB 3.29Å; I215-S219 WeakPolarHBondContact O-CB 3.29Å; I215-S219 PolarHBondContact O-N 2.84Å; A216-S219 PolarHBondContact O-N 2.89Å; S219-S223 WeakPolarHBondContact O-CB 3.35Å; S219-S223 PolarHBondContact O-N 3.19Å; S219-S223 PolarHBondContact O-OG 3.05Å
220V94.1Very high91.8Very high74 Ų7462.8 Ų62.845%0.44834%0.339SS..Hα-helixtrans-65.5-42.4175.7171.70000111.2A216 L217 I218 S223 L224A216-V220 WeakPolarHBondContact O-CB 3.31Å; A216-V220 WeakPolarHBondContact O-CG2 3.33Å; A216-V220 PolarHBondContact O-N 2.92Å; L217-V220 PolarHBondContact O-N 2.81Å; I218-V220 PolarHBondContact O-N 2.55Å; V220-S223 WeakPolarHBondContact CA-OG 3.41Å; V220-S223 PolarHBondContact O-N 2.97Å; V220-S223 PolarHBondContact O-OG 2.62Å; V220-L224 HydrophobicContact CG1-CD1 3.78Å; V220-L224 HydrophobicContact CG1-CG 4.28Å; V220-L224 WeakPolarHBondContact O-CB 3.47Å; V220-L224 WeakPolarHBondContact O-CG 3.24Å; V220-L224 PolarHBondContact O-N 3.17Å
221G95.1Very high92.3Very high30 Ų3067.5 Ų67.531%0.30935%0.352SS..Hα-helixtrans-60.5-49.8176.700000113L217 I218 L224 I225L217-G221 PolarHBondContact O-N 2.75Å; I218-G221 PolarHBondContact O-N 2.93Å; G221-L224 PolarHBondContact O-N 3.24Å; G221-I225 VanDerWaalsContact O-CG1 3.32Å; G221-I225 WeakPolarHBondContact O-CG1 3.33Å; G221-I225 PolarHBondContact O-N 3.11Å
222V94.6Very high92.6Very high47 Ų4768.8 Ų68.829%0.28536%0.355SS..Hα-helixtrans-63.7-44.7178.6173.60000111I191 V195 I218 L224 I225 F226I191-V222 HydrophobicContact CG2-CG1 4.04Å; V195-V222 HydrophobicContact CG2-CG1 4.1Å; I218-V222 HydrophobicContact CG2-CG2 4.27Å; I218-V222 WeakPolarHBondContact O-CB 3.39Å; I218-V222 WeakPolarHBondContact O-CG2 3.47Å; I218-V222 PolarHBondContact O-N 2.77Å; V222-L224 PolarHBondContact O-N 3.33Å; V222-I225 PolarHBondContact O-N 2.68Å; V222-F226 HydrophobicContact CG1-CD2 3.97Å; V222-F226 HydrophobicContact CG1-CE2 4.17Å; V222-F226 WeakPolarHBondContact O-CD2 3.29Å; V222-F226 PolarHBondContact O-N 3.12Å
223S94.8Very high92.9Very high7 Ų769.6 Ų69.65%0.04936%0.355CS..Hα-helixtrans-66-36.317953.70000113.4A188 S219 V220 F226 A227A188-S223 WeakPolarHBondContact O-CB 3.24Å; S219-S223 WeakPolarHBondContact O-CB 3.35Å; S219-S223 PolarHBondContact O-N 3.19Å; S219-S223 PolarHBondContact O-OG 3.05Å; V220-S223 WeakPolarHBondContact CA-OG 3.41Å; V220-S223 PolarHBondContact O-N 2.97Å; V220-S223 PolarHBondContact O-OG 2.62Å; S223-F226 PolarHBondContact O-N 3.44Å; S223-A227 WeakPolarHBondContact O-CB 3.22Å; S223-A227 PolarHBondContact O-N 3.15Å
224L94.8Very high92.8Very high105 Ų10562.7 Ų62.755%0.5533%0.333SS..Hα-helixtrans-65.5-40.7172.5-73.3172000112.1V220 G221 V222 A227 V228V220-L224 HydrophobicContact CG1-CD1 3.78Å; V220-L224 HydrophobicContact CG1-CG 4.28Å; V220-L224 WeakPolarHBondContact O-CB 3.47Å; V220-L224 WeakPolarHBondContact O-CG 3.24Å; V220-L224 PolarHBondContact O-N 3.17Å; G221-L224 PolarHBondContact O-N 3.24Å; V222-L224 PolarHBondContact O-N 3.33Å; L224-A227 WeakPolarHBondContact O-CB 3.42Å; L224-A227 PolarHBondContact O-N 2.95Å; L224-V228 WeakPolarHBondContact O-CG2 3.37Å; L224-V228 PolarHBondContact O-N 3.02Å
225I94.8Very high92.8Very high107 Ų10762.6 Ų62.655%0.54933%0.332SS..Hα-helixtrans-60.4-47.2173.5-68.4163.3000110.1G221 V222 A227 V228 L229G221-I225 VanDerWaalsContact O-CG1 3.32Å; G221-I225 WeakPolarHBondContact O-CG1 3.33Å; G221-I225 PolarHBondContact O-N 3.11Å; V222-I225 PolarHBondContact O-N 2.68Å; I225-A227 VanDerWaalsContact C-N 3.33Å; I225-A227 PolarHBondContact O-N 2.96Å; I225-V228 PolarHBondContact O-N 3.1Å; I225-L229 HydrophobicContact CG2-CD1 4.22Å; I225-L229 WeakPolarHBondContact O-CG 3.22Å; I225-L229 PolarHBondContact O-N 3.4Å
226F92.6Very high92.7Very high90 Ų9064.8 Ų64.840%0.39535%0.346SS..Hα-helixtrans-63-36.4175.3-92-93.2000112.8I191 V222 S223 V228 L229 V230I191-F226 HydrophobicContact CG1-CB 4.39Å; I191-F226 HydrophobicContact CG1-CD1 4.43Å; I191-F226 HydrophobicContact CG1-CG 4.34Å; I191-F226 HydrophobicContact CG2-CB 4.49Å; I191-F226 HydrophobicContact CG2-CD2 4.27Å; I191-F226 HydrophobicContact CG2-CG 4.39Å; V222-F226 HydrophobicContact CG1-CD2 3.97Å; V222-F226 HydrophobicContact CG1-CE2 4.17Å; V222-F226 WeakPolarHBondContact O-CD2 3.29Å; V222-F226 PolarHBondContact O-N 3.12Å; S223-F226 PolarHBondContact O-N 3.44Å; F226-V228 VanDerWaalsContact C-N 3.35Å; F226-V228 PolarHBondContact O-N 3.47Å; F226-L229 PolarHBondContact O-N 2.85Å; F226-V230 WeakPolarHBondContact O-CB 3.44Å; F226-V230 VanDerWaalsContact O-CG2 3.27Å; F226-V230 WeakPolarHBondContact O-CG2 3.44Å; F226-V230 PolarHBondContact O-N 2.96Å
227A93.6Very high92.6Very high15 Ų1569.1 Ų69.112%0.12436%0.355CS..Hα-helixtrans-58.7-46.6174.100000111.4P184 A188 S223 L224 I225 V230 W231P184-A227 HydrophobicContact CB-CB 4.22Å; A188-A227 HydrophobicContact CB-CB 3.93Å; S223-A227 WeakPolarHBondContact O-CB 3.22Å; S223-A227 PolarHBondContact O-N 3.15Å; L224-A227 WeakPolarHBondContact O-CB 3.42Å; L224-A227 PolarHBondContact O-N 2.95Å; I225-A227 VanDerWaalsContact C-N 3.33Å; I225-A227 PolarHBondContact O-N 2.96Å; A227-V230 PolarHBondContact O-N 3.18Å; A227-W231 WeakPolarHBondContact O-CB 3.39Å; A227-W231 PolarHBondContact O-N 2.96Å
228V94.3Very high92.2Very high77 Ų7763.5 Ų63.547%0.46733%0.325SS..Hα-helixtrans-64.5-41.8177.7173.50000111.1L224 I225 F226 W231 I232L224-V228 WeakPolarHBondContact O-CG2 3.37Å; L224-V228 PolarHBondContact O-N 3.02Å; I225-V228 PolarHBondContact O-N 3.1Å; F226-V228 VanDerWaalsContact C-N 3.35Å; F226-V228 PolarHBondContact O-N 3.47Å; V228-W231 PolarHBondContact O-N 2.79Å; V228-I232 HydrophobicContact CG1-CD1 3.63Å; V228-I232 HydrophobicContact CG1-CG1 4.35Å; V228-I232 WeakPolarHBondContact O-CB 3.28Å; V228-I232 VanDerWaalsContact O-CG1 3.31Å; V228-I232 WeakPolarHBondContact O-CG1 3.43Å; V228-I232 PolarHBondContact O-N 3.04Å
229L92.9Very high92Very high75 Ų7565.3 Ų65.339%0.39333%0.33SS..Hα-helixtrans-63.2-44175.2-67.9173.4000112.3I225 F226 W231 I232 F233I225-L229 HydrophobicContact CG2-CD1 4.22Å; I225-L229 WeakPolarHBondContact O-CG 3.22Å; I225-L229 PolarHBondContact O-N 3.4Å; F226-L229 PolarHBondContact O-N 2.85Å; L229-W231 VanDerWaalsContact C-N 3.32Å; L229-W231 PolarHBondContact O-N 3.23Å; L229-I232 PolarHBondContact O-N 2.74Å; L229-F233 HydrophobicContact CD2-CD2 4.14Å; L229-F233 HydrophobicContact CD2-CE2 3.83Å; L229-F233 WeakPolarHBondContact O-CB 3.45Å; L229-F233 WeakPolarHBondContact O-CD2 3.34Å; L229-F233 PolarHBondContact O-N 3.3Å
230V92.1Very high91.6Very high7 Ų774 Ų744%0.04236%0.362CS..Iπ-helixtrans-61.5-42.9175.1169.20000110.4L183 P184 Y187 F226 A227 V234 C235L183-V230 HydrophobicContact CB-CG1 4.47Å; P184-V230 HydrophobicContact CB-CG1 4.39Å; P184-V230 HydrophobicContact CG-CG1 4.22Å; Y187-V230 HydrophobicContact CD1-CG2 3.74Å; Y187-V230 HydrophobicContact CD2-CG1 4.21Å; Y187-V230 HydrophobicContact CE1-CG2 4.39Å; Y187-V230 HydrophobicContact CG-CG1 4.25Å; Y187-V230 HydrophobicContact CG-CG2 3.81Å; F226-V230 WeakPolarHBondContact O-CB 3.44Å; F226-V230 VanDerWaalsContact O-CG2 3.27Å; F226-V230 WeakPolarHBondContact O-CG2 3.44Å; F226-V230 PolarHBondContact O-N 2.96Å; A227-V230 PolarHBondContact O-N 3.18Å; V230-V234 HydrophobicContact CB-CB 4.44Å; V230-V234 HydrophobicContact CG1-CB 4.07Å; V230-V234 HydrophobicContact CG1-CG1 4.48Å; V230-V234 HydrophobicContact CG2-CG2 4.34Å; V230-V234 CarbonylContact O-C 3.56Å; V230-V234 WeakPolarHBondContact O-CA 3.5Å; V230-V234 WeakPolarHBondContact O-CB 3.39Å; V230-V234 PolarHBondContact O-N 3.43Å; V230-C235 PolarHBondContact O-N 3.08Å
231W92.6Very high91.2Very high167 Ų16773.9 Ų73.963%0.63336%0.356SS*.Iπ-helixtrans-65.2-41.4178-175.463.2000113.4P184 A227 V228 L229 P236P184-W231 HydrophobicContact CB-CB 4.49Å; P184-W231 HydrophobicContact CG-CB 3.9Å; P184-W231 HydrophobicContact CG-CG 4.47Å; A227-W231 WeakPolarHBondContact O-CB 3.39Å; A227-W231 PolarHBondContact O-N 2.96Å; V228-W231 PolarHBondContact O-N 2.79Å; L229-W231 VanDerWaalsContact C-N 3.32Å; L229-W231 PolarHBondContact O-N 3.23Å; W231-P236 VanDerWaalsContact O-CD 3.29Å; W231-P236 WeakPolarHBondContact O-CD 3.3Å
232I93.9Very high90.6Very high87 Ų8772.6 Ų72.645%0.44634%0.342SS..Iπ-helixtrans-77.3-39-178.3-68.7173.7000112.6V228 L229 P236V228-I232 HydrophobicContact CG1-CD1 3.63Å; V228-I232 HydrophobicContact CG1-CG1 4.35Å; V228-I232 WeakPolarHBondContact O-CB 3.28Å; V228-I232 VanDerWaalsContact O-CG1 3.31Å; V228-I232 WeakPolarHBondContact O-CG1 3.43Å; V228-I232 PolarHBondContact O-N 3.04Å; L229-I232 PolarHBondContact O-N 2.74Å; I232-P236 WeakPolarHBondContact O-CG 3.26Å
233F92.1Very high90.1Very high137 Ų13774.2 Ų74.260%0.60135%0.347SS*.Iπ-helixtrans-106.6-50.9-172.7-63.9-74.9000113.1L229 W237L229-F233 HydrophobicContact CD2-CD2 4.14Å; L229-F233 HydrophobicContact CD2-CE2 3.83Å; L229-F233 WeakPolarHBondContact O-CB 3.45Å; L229-F233 WeakPolarHBondContact O-CD2 3.34Å; L229-F233 PolarHBondContact O-N 3.3Å; F233-W237 VanDerWaalsContact O-CB 3.24Å; F233-W237 WeakPolarHBondContact O-CB 3.25Å; F233-W237 PolarHBondContact O-N 2.84Å
234V88.3Confident89.6Confident40 Ų4076.8 Ų76.824%0.24237%0.365CS..Iπ-helixtrans-77.1-47.6-170.6-178.50000111.4V230 W237 M238V230-V234 HydrophobicContact CB-CB 4.44Å; V230-V234 HydrophobicContact CG1-CB 4.07Å; V230-V234 HydrophobicContact CG1-CG1 4.48Å; V230-V234 HydrophobicContact CG2-CG2 4.34Å; V230-V234 CarbonylContact O-C 3.56Å; V230-V234 WeakPolarHBondContact O-CA 3.5Å; V230-V234 WeakPolarHBondContact O-CB 3.39Å; V230-V234 PolarHBondContact O-N 3.43Å; V234-W237 PolarHBondContact O-N 3.49Å; V234-M238 HydrophobicContact CG1-CG 4Å; V234-M238 HydrophobicContact CG1-SD 3.73Å; V234-M238 WeakPolarHBondContact O-CB 3.34Å; V234-M238 WeakPolarHBondContact O-CG 3.34Å; V234-M238 PolarHBondContact O-N 2.91Å
235C88.4Confident88.9Confident12 Ų1278 Ų788%0.08136%0.362CS..Hα-helixtrans-56.3-49.8179.2-66.30000113.6L180 V230 M238 K239L180-C235 PolarHBondContact O-SG 3.46Å; V230-C235 PolarHBondContact O-N 3.08Å; C235-M238 PolarHBondContact O-N 3.41Å; C235-K239 WeakPolarHBondContact O-CB 3.48Å; C235-K239 PolarHBondContact O-N 2.79Å
236P88.8Confident88.1Confident50 Ų5075.3 Ų75.333%0.32535%0.349SS..Hα-helixtrans-71.2-30.5176.925.2-32.2000113.4W231 I232 R240W231-P236 VanDerWaalsContact O-CD 3.29Å; W231-P236 WeakPolarHBondContact O-CD 3.3Å; I232-P236 WeakPolarHBondContact O-CG 3.26Å; P236-R240 VanDerWaalsContact O-CG 3.27Å; P236-R240 WeakPolarHBondContact O-CG 3.41Å; P236-R240 PolarHBondContact O-N 3.05Å
237W89.1Confident87.5Confident130 Ų13078.2 Ų78.249%0.49236%0.361SS..Hα-helixtrans-65.7-46.9172.4175.888.2000111.6F233 V234 R240 K241 F488F233-W237 VanDerWaalsContact O-CB 3.24Å; F233-W237 WeakPolarHBondContact O-CB 3.25Å; F233-W237 PolarHBondContact O-N 2.84Å; V234-W237 PolarHBondContact O-N 3.49Å; W237-R240 PolarHBondContact O-N 3.44Å; W237-K241 HydrophobicContact CH2-CD 3.66Å; W237-K241 HydrophobicContact CZ2-CD 3.72Å; W237-K241 HydrophobicContact CZ3-CD 4.13Å; W237-K241 WeakPolarHBondContact O-CB 3.46Å; W237-K241 PolarHBondContact O-N 3.26Å; W237-F488 AromaticContact CH2-CE1 3.97Å; W237-F488 HydrophobicContact CH2-CE1 3.97Å; W237-F488 HydrophobicContact CH2-CZ 4.32Å; W237-F488 HydrophobicContact CZ3-CD1 4.4Å; W237-F488 HydrophobicContact CZ3-CE1 4.14Å; W237-F488 HydrophobicContact CZ3-CZ 4.44Å
238M85.1Confident86.9Confident1 Ų183.2 Ų83.21%0.00538%0.38CS..Hα-helixtrans-61.4-45175.6-74.3-172.461.200111L180 L183 V234 C235 R240 K241 I242 L485 F488L180-M238 HydrophobicContact CD2-CB 3.95Å; L183-M238 HydrophobicContact CD1-CE 3.77Å; L183-M238 HydrophobicContact CD1-SD 3.42Å; L183-M238 WeakPolarHBondContact CD1-SD 3.24Å; L183-M238 HydrophobicContact CD2-CE 4.32Å; L183-M238 HydrophobicContact CD2-SD 4.37Å; V234-M238 HydrophobicContact CG1-CG 4Å; V234-M238 HydrophobicContact CG1-SD 3.73Å; V234-M238 WeakPolarHBondContact O-CB 3.34Å; V234-M238 WeakPolarHBondContact O-CG 3.34Å; V234-M238 PolarHBondContact O-N 2.91Å; C235-M238 PolarHBondContact O-N 3.41Å; M238-R240 PolarHBondContact O-N 3.04Å; M238-K241 PolarHBondContact O-N 3Å; M238-K241 VanDerWaalsContact O-N 3.13Å; M238-I242 WeakPolarHBondContact O-CB 3.13Å; M238-I242 VanDerWaalsContact O-CG1 3.26Å; M238-I242 WeakPolarHBondContact O-CG1 3.4Å; M238-I242 PolarHBondContact O-N 3Å; M238-L485 HydrophobicContact CE-CD1 3.87Å; M238-F488 HydrophobicContact CE-CB 3.82Å; M238-F488 HydrophobicContact CE-CD2 3.68Å; M238-F488 HydrophobicContact CE-CG 4.03Å; M238-F488 HydrophobicContact SD-CB 4.26Å; M238-F488 HydrophobicContact SD-CG 4.48Å
239K86.6Confident86.1Confident108 Ų10883.1 Ų83.147%0.4738%0.377SS..Hα-helixtrans-55-52.3175.1-176.3170.3173.5172.90111.9L180 C235 K241 I242 E243L180-K239 HydrophobicContact CD1-CB 3.81Å; L180-K239 HydrophobicContact CD1-CD 4.31Å; L180-K239 HydrophobicContact CD1-CG 4.12Å; C235-K239 WeakPolarHBondContact O-CB 3.48Å; C235-K239 PolarHBondContact O-N 2.79Å; K239-K241 VanDerWaalsContact C-N 3.28Å; K239-K241 PolarHBondContact O-N 3.06Å; K239-I242 PolarHBondContact O-N 3.26Å; K239-E243 WeakPolarHBondContact CE-OE1 3.46Å; K239-E243 WeakPolarHBondContact CG-OE1 3.4Å; K239-E243 IonicContact NZ-OE1 3.43Å; K239-E243 WeakPolarHBondContact O-CB 3.41Å; K239-E243 WeakPolarHBondContact O-CG 3.49Å; K239-E243 PolarHBondContact O-N 3.42Å
240R86.3Confident85.3Confident187 Ų18782 Ų8271%0.70638%0.378SS*.Hα-helixtrans-59.3-37.5176.7-71.2171.7-174.51773.7112.5P236 W237 M238 S244P236-R240 VanDerWaalsContact O-CG 3.27Å; P236-R240 WeakPolarHBondContact O-CG 3.41Å; P236-R240 PolarHBondContact O-N 3.05Å; W237-R240 PolarHBondContact O-N 3.44Å; M238-R240 PolarHBondContact O-N 3.04Å; R240-S244 WeakPolarHBondContact O-CB 3.42Å; R240-S244 PolarHBondContact O-N 3.48Å
241K84.4Confident84.6Confident72 Ų7283.7 Ų83.731%0.31339%0.393SS..Hα-helixtrans-72-40.9-179.8-169171.1-177.2178.30112.4W237 M238 K239 S244 R245 F488W237-K241 HydrophobicContact CH2-CD 3.66Å; W237-K241 HydrophobicContact CZ2-CD 3.72Å; W237-K241 HydrophobicContact CZ3-CD 4.13Å; W237-K241 WeakPolarHBondContact O-CB 3.46Å; W237-K241 PolarHBondContact O-N 3.26Å; M238-K241 PolarHBondContact O-N 3Å; M238-K241 VanDerWaalsContact O-N 3.13Å; K239-K241 VanDerWaalsContact C-N 3.28Å; K239-K241 PolarHBondContact O-N 3.06Å; K241-S244 PolarHBondContact O-N 3.44Å; K241-R245 WeakPolarHBondContact O-CG 3.47Å; K241-R245 PolarHBondContact O-N 2.93Å; K241-F488 HydrophobicContact CD-CE2 4.45Å; K241-F488 HydrophobicContact CD-CZ 3.9Å
242I82.9Confident83.8Confident4 Ų480 Ų802%0.02139%0.385CS..Hα-helixtrans-64.6-49.6175-66.2161.7000109.9V176 L180 M238 K239 S244 R245 L246 L484V176-I242 HydrophobicContact CG1-CD1 4.39Å; L180-I242 HydrophobicContact CD2-CD1 4.5Å; M238-I242 WeakPolarHBondContact O-CB 3.13Å; M238-I242 VanDerWaalsContact O-CG1 3.26Å; M238-I242 WeakPolarHBondContact O-CG1 3.4Å; M238-I242 PolarHBondContact O-N 3Å; K239-I242 PolarHBondContact O-N 3.26Å; I242-S244 VanDerWaalsContact C-N 3.28Å; I242-S244 PolarHBondContact O-N 2.85Å; I242-R245 PolarHBondContact O-N 2.9Å; I242-L246 HydrophobicContact CG2-CD1 3.84Å; I242-L246 WeakPolarHBondContact O-CG 3.47Å; I242-L246 PolarHBondContact O-N 2.85Å; I242-L484 HydrophobicContact CB-CD2 4.19Å; I242-L484 HydrophobicContact CG1-CD2 3.79Å; I242-L484 HydrophobicContact CG1-CG 4.05Å; I242-L484 HydrophobicContact CG2-CD2 4.44Å
243E83.7Confident82.9Confident81 Ų8178.5 Ų78.538%0.37938%0.382SS..Hα-helixtrans-59-37175.4-72.3174.3-165.600112.8K239 K247K239-E243 WeakPolarHBondContact CE-OE1 3.46Å; K239-E243 WeakPolarHBondContact CG-OE1 3.4Å; K239-E243 IonicContact NZ-OE1 3.43Å; K239-E243 WeakPolarHBondContact O-CB 3.41Å; K239-E243 WeakPolarHBondContact O-CG 3.49Å; K239-E243 PolarHBondContact O-N 3.42Å; E243-K247 WeakPolarHBondContact O-CB 3.33Å; E243-K247 VanDerWaalsContact O-CG 3.26Å; E243-K247 WeakPolarHBondContact O-CG 3.49Å; E243-K247 PolarHBondContact O-N 3.28Å; E243-K247 VanDerWaalsContact O-N 3.14Å
244S83.6Confident82.2Confident61 Ų6180.9 Ų80.943%0.42739%0.387SS..Hα-helixtrans-72.1-35177.9-176.20000113.2R240 K241 I242 K248R240-S244 WeakPolarHBondContact O-CB 3.42Å; R240-S244 PolarHBondContact O-N 3.48Å; K241-S244 PolarHBondContact O-N 3.44Å; I242-S244 VanDerWaalsContact C-N 3.28Å; I242-S244 PolarHBondContact O-N 2.85Å; S244-K248 WeakPolarHBondContact O-CG 3.32Å; S244-K248 PolarHBondContact O-N 2.9Å
245R80.4Confident81.7Confident129 Ų12984.1 Ų84.149%0.48740%0.402SS..Hα-helixtrans-65.7-55.6172.1-76.7-72.5-168.1-161.93.6110.4K241 I242 K247 K248 D249 L484K241-R245 WeakPolarHBondContact O-CG 3.47Å; K241-R245 PolarHBondContact O-N 2.93Å; I242-R245 PolarHBondContact O-N 2.9Å; R245-K247 PolarHBondContact O-N 2.85Å; R245-K247 VanDerWaalsContact O-N 3.11Å; R245-K248 WeakPolarHBondContact O-CA 3.35Å; R245-K248 WeakPolarHBondContact O-CB 3.01Å; R245-K248 PolarHBondContact O-N 3.46Å; R245-D249 PolarHBondContact O-N 3.34Å; R245-L484 HydrophobicContact CB-CD2 3.8Å; R245-L484 HydrophobicContact CG-CD2 3.76Å
246L77.8Confident80.9Confident52 Ų5285.5 Ų85.527%0.27241%0.412SS..Hα-helixtrans-52.4-40178.9-75.1163.3000113.7I242 A250 Q481I242-L246 HydrophobicContact CG2-CD1 3.84Å; I242-L246 WeakPolarHBondContact O-CG 3.47Å; I242-L246 PolarHBondContact O-N 2.85Å; L246-A250 VanDerWaalsContact O-CB 3.25Å; L246-A250 WeakPolarHBondContact O-CB 3.3Å; L246-A250 PolarHBondContact O-N 3.2Å; L246-Q481 HydrophobicContact CD1-CG 3.88Å; L246-Q481 HydrophobicContact CD2-CG 3.8Å; L246-Q481 HydrophobicContact CG-CG 4.34Å
247K81.4Confident80.3Confident151 Ų15187.1 Ų87.166%0.65742%0.418SS*.Hα-helixtrans-67.3-31.4175.7-76.5173-178176.10113.8E243 R245 A251E243-K247 WeakPolarHBondContact O-CB 3.33Å; E243-K247 VanDerWaalsContact O-CG 3.26Å; E243-K247 WeakPolarHBondContact O-CG 3.49Å; E243-K247 PolarHBondContact O-N 3.28Å; E243-K247 VanDerWaalsContact O-N 3.14Å; R245-K247 PolarHBondContact O-N 2.85Å; R245-K247 VanDerWaalsContact O-N 3.11Å; K247-A251 WeakPolarHBondContact O-CB 3.33Å; K247-A251 PolarHBondContact O-N 3.28Å
248K81Confident79.7Confident119 Ų11986.2 Ų86.252%0.51742%0.419SS..Hα-helixtrans-75.5-44.4174.3-72.9179.7176.5-165.50111S244 R245 A250 A251 L252S244-K248 WeakPolarHBondContact O-CG 3.32Å; S244-K248 PolarHBondContact O-N 2.9Å; R245-K248 WeakPolarHBondContact O-CA 3.35Å; R245-K248 WeakPolarHBondContact O-CB 3.01Å; R245-K248 PolarHBondContact O-N 3.46Å; K248-A250 VanDerWaalsContact C-N 3.34Å; K248-A250 PolarHBondContact O-N 3.36Å; K248-A251 WeakPolarHBondContact O-CB 3.22Å; K248-A251 PolarHBondContact O-N 3.4Å; K248-L252 PolarHBondContact O-N 3.49Å
249D76.4Confident78.9Confident76 Ų7688.7 Ų88.741%0.40644%0.436SS..Hα-helixtrans-63.5-43.3-178.5-49.1-21.7000109.9R245 A251 L252 S253R245-D249 PolarHBondContact O-N 3.34Å; D249-A251 VanDerWaalsContact C-N 3.28Å; D249-A251 PolarHBondContact O-N 3.24Å; D249-L252 PolarHBondContact O-N 2.92Å; D249-S253 PolarHBondContact O-N 3.16Å
250A76.4Confident77.9Confident51 Ų5187.4 Ų87.442%0.42144%0.435SS..Hα-helixtrans-71.1-15.2173.400000114.9L246 K248 S253 R254L246-A250 VanDerWaalsContact O-CB 3.25Å; L246-A250 WeakPolarHBondContact O-CB 3.3Å; L246-A250 PolarHBondContact O-N 3.2Å; K248-A250 VanDerWaalsContact C-N 3.34Å; K248-A250 PolarHBondContact O-N 3.36Å; A250-S253 PolarHBondContact O-OG 3.32Å; A250-R254 WeakPolarHBondContact O-CD 3.32Å; A250-R254 WeakPolarHBondContact O-CG 3.26Å
251A77.1Confident77Confident43 Ų4383.2 Ų83.236%0.35543%0.426SS..Hα-helixtrans-86.1-40170.600000110.9K247 K248 D249 R254 I255K247-A251 WeakPolarHBondContact O-CB 3.33Å; K247-A251 PolarHBondContact O-N 3.28Å; K248-A251 WeakPolarHBondContact O-CB 3.22Å; K248-A251 PolarHBondContact O-N 3.4Å; D249-A251 VanDerWaalsContact C-N 3.28Å; D249-A251 PolarHBondContact O-N 3.24Å; A251-R254 PolarHBondContact O-N 3.3Å; A251-I255 WeakPolarHBondContact O-CD1 3.17Å; A251-I255 VanDerWaalsContact O-CG1 3.28Å; A251-I255 WeakPolarHBondContact O-CG1 3.26Å; A251-I255 PolarHBondContact O-N 3.43Å; A251-I255 VanDerWaalsContact O-N 3.09Å
252L76.2Confident76Confident90 Ų9085.1 Ų85.147%0.47143%0.434SS..Hα-helixtrans-63.4-42.8173.9-80.3163.3000111.8K248 D249 R254 I255 S256 V452K248-L252 PolarHBondContact O-N 3.49Å; D249-L252 PolarHBondContact O-N 2.92Å; L252-R254 PolarHBondContact O-N 3.02Å; L252-I255 PolarHBondContact O-N 3.3Å; L252-S256 WeakPolarHBondContact O-CB 3.38Å; L252-S256 PolarHBondContact O-N 3.48Å; L252-V452 HydrophobicContact CD1-CG2 4.31Å
253S75.1Confident74.8Confident55 Ų5589.4 Ų89.439%0.38546%0.456SS..Hα-helixtrans-59.4-47.3176.374.90000111D249 A250 I255 S256 D257D249-S253 PolarHBondContact O-N 3.16Å; A250-S253 PolarHBondContact O-OG 3.32Å; S253-I255 VanDerWaalsContact C-N 3.32Å; S253-I255 PolarHBondContact O-N 3.12Å; S253-S256 CarbonylContact O-C 3.55Å; S253-S256 WeakPolarHBondContact O-CA 3.44Å; S253-S256 VanDerWaalsContact O-CB 3.3Å; S253-S256 WeakPolarHBondContact O-CB 3.06Å; S253-S256 PolarHBondContact O-N 2.91Å; S253-S256 VanDerWaalsContact O-N 3.07Å; S253-D257 PolarHBondContact O-N 2.95Å
254R76.3Confident73.3Confident187 Ų18792.1 Ų92.171%0.70647%0.469SS*.Hα-helixtrans-59.8-39.1176.5-71175.4-177.4-162.9-0.7113.4A250 A251 L252 S256 E258A250-R254 WeakPolarHBondContact O-CD 3.32Å; A250-R254 WeakPolarHBondContact O-CG 3.26Å; A251-R254 PolarHBondContact O-N 3.3Å; L252-R254 PolarHBondContact O-N 3.02Å; R254-S256 VanDerWaalsContact C-N 3.35Å; R254-E258 VanDerWaalsContact O-CB 3.26Å; R254-E258 WeakPolarHBondContact O-CB 3.48Å; R254-E258 PolarHBondContact O-N 2.94Å
255I78.3Confident71.7Confident107 Ų10795 Ų9555%0.54948%0.48SS..Hα-helixtrans-68.6-37.6176.4-67162.6000110.5A251 L252 S253 S259A251-I255 WeakPolarHBondContact O-CD1 3.17Å; A251-I255 VanDerWaalsContact O-CG1 3.28Å; A251-I255 WeakPolarHBondContact O-CG1 3.26Å; A251-I255 PolarHBondContact O-N 3.43Å; A251-I255 VanDerWaalsContact O-N 3.09Å; L252-I255 PolarHBondContact O-N 3.3Å; S253-I255 VanDerWaalsContact C-N 3.32Å; S253-I255 PolarHBondContact O-N 3.12Å; I255-S259 WeakPolarHBondContact O-CB 3.26Å; I255-S259 PolarHBondContact O-N 3.47Å; I255-S259 PolarHBondContact O-OG 3.46Å
256S73.1Confident70.2Confident41 Ų4197.3 Ų97.329%0.28750%0.496SS..Hα-helixtrans-62.5-51.3173.3-174.20000110.8L252 S253 R254 E258 S259 L260L252-S256 WeakPolarHBondContact O-CB 3.38Å; L252-S256 PolarHBondContact O-N 3.48Å; S253-S256 CarbonylContact O-C 3.55Å; S253-S256 WeakPolarHBondContact O-CA 3.44Å; S253-S256 VanDerWaalsContact O-CB 3.3Å; S253-S256 WeakPolarHBondContact O-CB 3.06Å; S253-S256 PolarHBondContact O-N 2.91Å; S253-S256 VanDerWaalsContact O-N 3.07Å; R254-S256 VanDerWaalsContact C-N 3.35Å; S256-E258 PolarHBondContact O-N 2.93Å; S256-S259 WeakPolarHBondContact O-CA 3.17Å; S256-S259 PolarHBondContact O-N 2.83Å; S256-S259 PolarHBondContact O-OG 3.44Å; S256-L260 WeakPolarHBondContact O-CG 3.42Å; S256-L260 PolarHBondContact O-N 3.38Å
257D75.3Confident68.5Low85 Ų85102.4 Ų102.446%0.45552%0.518SS..Hα-helixtrans-59.1-48.3179-57.2-27.9000110.7S253 S259 L260 D261S253-D257 PolarHBondContact O-N 2.95Å; D257-S259 PolarHBondContact O-N 3.25Å; D257-L260 PolarHBondContact O-N 3.01Å; D257-L260 VanDerWaalsContact O-N 3.09Å; D257-D261 PolarHBondContact O-N 3.4Å
258E75.4Confident66.2Low110 Ų11099.5 Ų99.551%0.51451%0.513SS..Hα-helixtrans-63.2-24.8176.2-163.4-167.5146.300113R254 S256 K262R254-E258 VanDerWaalsContact O-CB 3.26Å; R254-E258 WeakPolarHBondContact O-CB 3.48Å; R254-E258 PolarHBondContact O-N 2.94Å; S256-E258 PolarHBondContact O-N 2.93Å; E258-K262 WeakPolarHBondContact O-CD 3.25Å; E258-K262 VanDerWaalsContact O-CG 3.28Å; E258-K262 WeakPolarHBondContact O-CG 2.97Å; E258-K262 PolarHBondContact O-N 3.47Å; E258-K262 IonicContact OE1-NZ 3.92Å; E258-K262 PolarHBondContact OE1-NZ 3.42Å
259S70.3Confident64.2Low53 Ų5398.9 Ų98.937%0.37152%0.522SS..Hα-helixtrans-81.7-33173.975.30000112.9I255 S256 D257 I263I255-S259 WeakPolarHBondContact O-CB 3.26Å; I255-S259 PolarHBondContact O-N 3.47Å; I255-S259 PolarHBondContact O-OG 3.46Å; S256-S259 WeakPolarHBondContact O-CA 3.17Å; S256-S259 PolarHBondContact O-N 2.83Å; S256-S259 PolarHBondContact O-OG 3.44Å; D257-S259 PolarHBondContact O-N 3.25Å; S259-I263 WeakPolarHBondContact O-CD1 3.35Å; S259-I263 VanDerWaalsContact O-CG1 3.28Å; S259-I263 WeakPolarHBondContact O-CG1 3.09Å; S259-I263 PolarHBondContact O-N 2.98Å
260L65.6Low62.4Low82 Ų82101.5 Ų101.543%0.42954%0.54SS..Hα-helixtrans-71.5-42.8175.1-70.6170.1000111.2S256 D257 K262 I263 Q264S256-L260 WeakPolarHBondContact O-CG 3.42Å; S256-L260 PolarHBondContact O-N 3.38Å; D257-L260 PolarHBondContact O-N 3.01Å; D257-L260 VanDerWaalsContact O-N 3.09Å; L260-K262 VanDerWaalsContact C-N 3.33Å; L260-K262 PolarHBondContact O-N 3.49Å; L260-I263 PolarHBondContact O-N 3.46Å; L260-I263 VanDerWaalsContact O-N 3.15Å; L260-Q264 PolarHBondContact O-N 3.16Å
261D66.5Low60.2Low98 Ų98108.1 Ų108.152%0.52456%0.559SS.*Hα-helixtrans-57.7-45174.9-76.8-10.7000111.1D257 I263 Q264 D265D257-D261 PolarHBondContact O-N 3.4Å; D261-I263 VanDerWaalsContact C-N 3.29Å; D261-I263 PolarHBondContact O-N 3.38Å; D261-Q264 PolarHBondContact O-N 2.97Å; D261-Q264 VanDerWaalsContact O-N 3.17Å; D261-D265 PolarHBondContact O-N 3.24Å
262K63.5Low58.3Low113 Ų113115 Ų11549%0.49158%0.581SS.*Hα-helixtrans-64-31177.5-74.8169.9-169.41610113.8E258 L260 E266E258-K262 WeakPolarHBondContact O-CD 3.25Å; E258-K262 VanDerWaalsContact O-CG 3.28Å; E258-K262 WeakPolarHBondContact O-CG 2.97Å; E258-K262 PolarHBondContact O-N 3.47Å; E258-K262 IonicContact OE1-NZ 3.92Å; E258-K262 PolarHBondContact OE1-NZ 3.42Å; L260-K262 VanDerWaalsContact C-N 3.33Å; L260-K262 PolarHBondContact O-N 3.49Å; K262-E266 PolarHBondContact O-N 3.4Å
263I58.3Low56.3Low94 Ų94119.3 Ų119.348%0.48260%0.599SS.*Hα-helixtrans-74-39175.2-68163.8000110.1S259 L260 D261 E266 E267S259-I263 WeakPolarHBondContact O-CD1 3.35Å; S259-I263 VanDerWaalsContact O-CG1 3.28Å; S259-I263 WeakPolarHBondContact O-CG1 3.09Å; S259-I263 PolarHBondContact O-N 2.98Å; L260-I263 PolarHBondContact O-N 3.46Å; L260-I263 VanDerWaalsContact O-N 3.15Å; D261-I263 VanDerWaalsContact C-N 3.29Å; D261-I263 PolarHBondContact O-N 3.38Å; I263-E266 PolarHBondContact O-N 3.42Å; I263-E267 PolarHBondContact O-N 2.98Å
264Q50.5Low54.2Low138 Ų138124.6 Ų124.665%0.64562%0.622SS**Hα-helixtrans-67-40.1174.9-73.8-171-4.700112.6L260 D261 E266 E267 T268L260-Q264 PolarHBondContact O-N 3.16Å; D261-Q264 PolarHBondContact O-N 2.97Å; D261-Q264 VanDerWaalsContact O-N 3.17Å; Q264-E266 PolarHBondContact O-N 3.27Å; Q264-E267 PolarHBondContact O-N 3.47Å; Q264-T268 PolarHBondContact O-N 3.21Å
265D50.4Low52Low121 Ų121122.1 Ų122.165%0.64763%0.63SS**Hα-helixtrans-62.6-39.9176.5-82.8-23.2000112.1D261 T268D261-D265 PolarHBondContact O-N 3.24Å; D265-T268 PolarHBondContact O-OG1 3.21Å; D265-T268 VanDerWaalsContact O-OG1 3.07Å
266E50.4Low50Low177 Ų177120.7 Ų120.783%0.82764%0.642SS**Hα-helixtrans-70-26175.5-78.8-162.7150.700113.8K262 I263 Q264K262-E266 PolarHBondContact O-N 3.4Å; I263-E266 PolarHBondContact O-N 3.42Å; Q264-E266 PolarHBondContact O-N 3.27Å
267E41.8Very low47.8Very low160 Ų160123.8 Ų123.875%0.74867%0.67SS**THydrogen-bonded Turntrans-882.1179.9-73.6-161.615700114.7I263 Q264 P269I263-E267 PolarHBondContact O-N 2.98Å; Q264-E267 PolarHBondContact O-N 3.47Å; E267-P269 WeakPolarHBondContact O-CD 2.96Å
268T32.6Very low45.6Very low90 Ų90131.6 Ų131.655%0.55269%0.693SS**  trans-80.9110.1172.4600000112.1Q264 D265 V270Q264-T268 PolarHBondContact O-N 3.21Å; D265-T268 PolarHBondContact O-OG1 3.21Å; D265-T268 VanDerWaalsContact O-OG1 3.07Å; T268-V270 PolarHBondContact O-N 3Å
269P39.5Very low43.3Very low106 Ų106130.6 Ų130.669%0.68870%0.704SS**  trans-74.3105.6177.530.5-33.9000109.8E267 F271E267-P269 WeakPolarHBondContact O-CD 2.96Å; P269-F271 VanDerWaalsContact C-N 3.34Å; P269-F271 PolarHBondContact O-N 3.25Å
270V37.8Very low41.1Very low130 Ų130133.8 Ų133.879%0.78872%0.721SS**  trans-61.395.6169.11780000109T268 K272T268-V270 PolarHBondContact O-N 3Å; V270-K272 VanDerWaalsContact C-N 3.31Å; V270-K272 PolarHBondContact O-N 2.91Å
271F30.8Very low39.2Very low190 Ų190136.4 Ų136.483%0.83374%0.736SS**  trans-69.988.7176.8-125.2-87.5000109.4P269 E273P269-F271 VanDerWaalsContact C-N 3.34Å; P269-F271 PolarHBondContact O-N 3.25Å; F271-E273 PolarHBondContact O-N 3.31Å; F271-E273 VanDerWaalsContact O-N 3.15Å
272K35.8Very low37.3Very low187 Ų187140.5 Ų140.581%0.81375%0.751SS**  trans-78.996.5178.8-166.9172-172171.50109V270 L274V270-K272 VanDerWaalsContact C-N 3.31Å; V270-K272 PolarHBondContact O-N 2.91Å; K272-L274 PolarHBondContact O-N 3.07Å
273E34.3Very low35.5Very low181 Ų181139.7 Ų139.785%0.84676%0.76SS**  trans-52127.3176.6-69.8-167.8153.300111.3F271F271-E273 PolarHBondContact O-N 3.31Å; F271-E273 VanDerWaalsContact O-N 3.15Å
274L31.3Very low34.1Very low167 Ų167141.8 Ų141.887%0.87478%0.778SS**  trans-85.7123.9172.5-82.7161.4000109K272 G276K272-L274 PolarHBondContact O-N 3.07Å; L274-G276 PolarHBondContact O-N 2.9Å
275P31.1Very low33.1Very low134 Ų134143 Ų14387%0.8779%0.787SS**SBendtrans-76.7110.5179.829.8-33.1000110.8
276G35.3Very low32.6Very low77 Ų77142.2 Ų142.279%0.79479%0.788SS**  trans128.386.4158.800000116.7L274L274-G276 PolarHBondContact O-N 2.9Å
277A26.6Very low31.6Very low107 Ų107141 Ų14188%0.88479%0.787SS**  trans-144.5134.8147.700000108.6
278R29.4Very low30.9Very low249 Ų249139.6 Ų139.694%0.9479%0.789SS**  trans-132.8161.5179.1-110.1-172.9178-179.9-0.2108.9
279A26.6Very low30.6Very low89 Ų89138.6 Ų138.674%0.73680%0.796SS**  trans75.3144-178.800000114
280T25.5Very low29.9Very low119 Ų119139 Ų13973%0.7380%0.802SS**  cis-172.9159.7-7.6230000106.8
281D25.5Very low29.3Very low138 Ų138138.5 Ų138.574%0.73880%0.799SS**  cis-161175.7-5.3-125.7-31.8000109.9
282E25.8Very low29.2Very low183 Ų183135.5 Ų135.586%0.85580%0.797SS**  trans59.4138.9160.7-74.7-171.1143.100119.1
283S26.9Very low28.7Very low97 Ų97134.9 Ų134.968%0.67880%0.797SS**  cis-167.117125.448.70000113.5
284T28.5Very low28.3Very low138 Ų138130.4 Ų130.485%0.84779%0.791SS**  trans76.2135.2162.658.90000121.3
285I29.8Very low28Very low162 Ų162127.8 Ų127.883%0.83179%0.793SS**  trans-125.3-175.1-176.2-5174.8000106.4
286P40.3Very low27.8Very low105 Ų105124.8 Ų124.868%0.68279%0.786SS**  cis-131.8-175.3-24.533.3-13.5000113.1
287L28.5Very low27.3Very low153 Ų153125.5 Ų125.580%0.80179%0.785SS**  -172.4113.4124.7-99.6152.6000113
288T27.5Very low27.3Very low130 Ų130125.1 Ų125.180%0.79878%0.776SS**  trans39.9133.7144.4540000121.6
289G26Very low27.1Very low68 Ų68119.8 Ų119.870%0.70177%0.766SS**  cis170.4154.6-1.900000113.4
290S25.2Very low27.1Very low116 Ų116120.5 Ų120.581%0.81177%0.766SS**  trans16155.2149.958.80000123.4
291V25.2Very low27.3Very low119 Ų119122.5 Ų122.572%0.72177%0.77SS**  cis-178.2143.5-13.81420000105
292T27.8Very low27.4Very low127 Ų127120.3 Ų120.378%0.77977%0.771SS**  trans-173.6117.1145.819.80000106.7
293E26.4Very low27.5Very low174 Ų174119.4 Ų119.481%0.81377%0.772SS**  55.7136.876.2-67.5-165.9150.500114.8
294A25.4Very low27.6Very low87 Ų87118.1 Ų118.172%0.71977%0.774SS**  cis-170.6158.9-18.300000110.6
295A25Very low27.4Very low111 Ų111118.8 Ų118.892%0.91777%0.772SS**  trans68149.5148.900000123.2
296G26.1Very low27.4Very low71 Ų71119.9 Ų119.973%0.73277%0.774SS**  trans128.882.3170.100000113.7
297A26.5Very low27.2Very low93 Ų93120 Ų12077%0.76977%0.774SS**  64.5102.790.400000113.3
298S25Very low27Very low99 Ų99123.7 Ų123.769%0.69278%0.778SS**  74142.289.291.90000112.8
299D26.8Very low26.8Very low136 Ų136124 Ų12473%0.72778%0.779SS**  cis-157.8156.520.5-90.8-61000112.8
300S26.4Very low27.3Very low105 Ų105126.6 Ų126.673%0.73478%0.783SS**  trans61.5155.8143.472.20000121.8
301I28.3Very low27.4Very low160 Ų160132.6 Ų132.682%0.82179%0.79SS**  cis-160.1136.1-14.3-104.6164.3000105
302A28Very low27.4Very low93 Ų93130.5 Ų130.577%0.76979%0.793SS**  -176.2144.797.500000114.1
303N29Very low27.2Very low164 Ų164136.4 Ų136.488%0.87780%0.8SS**  trans-77.6172.1174.8-79-26000112.9
304G27.8Very low27.1Very low69 Ų69131.7 Ų131.771%0.71179%0.792SS**  cis-172.4-163.15.700000109.3
305N25.1Very low27Very low152 Ų152137.3 Ų137.381%0.81380%0.8SS**  cis-159.11357-136.718.4000108.9
306H30.3Very low27Very low185 Ų185136 Ų13686%0.85678%0.784SS**  trans-87.1164.4169.5-81.6-78.7000111.6
307P34Very low26.9Very low108 Ų108140 Ų14070%0.70179%0.785SS**  -152.9148.6108.935.1-16.5000118.6
308R24.8Very low26.9Very low231 Ų231142 Ų14287%0.87279%0.789SS**  trans58.8117140.2-62.8171.1177.8168.6-1.6119.8
309V24.8Very low26.9Very low136 Ų136143.9 Ų143.982%0.82479%0.786SS**  61.3135.673.5177.90000113.1
310P35.2Very low26.7Very low122 Ų122144.3 Ų144.379%0.79279%0.794SS**  cis-133.8-170.38.433.2-9.7000117.1
311Y26.9Very low26.5Very low243 Ų243143.5 Ų143.595%0.95379%0.788SS**  trans-60.7153169.9-90.7-110.7000116.4
312G25.3Very low26.4Very low75 Ų75142.4 Ų142.477%0.77379%0.789SS**  trans149.2106.9142.800000121.1
313R24.9Very low26.2Very low250 Ų250147.4 Ų147.494%0.94379%0.793SS**  trans52.2116.7148.5-81-174.4178.2172.21.1123.7
314A23.8Very low26.1Very low76 Ų76144.3 Ų144.363%0.62878%0.784SS**  86.2145.7117.400000123.1
315F22.4Very low26.3Very low204 Ų204146.7 Ų146.790%0.89579%0.787SS**  trans67.6148.2168.2-68.2-71.9000117
316S24.9Very low26.4Very low83 Ų83145.5 Ų145.558%0.5879%0.785SS**  cis-166.4160.7-13.7-165.50000110.4
317M25Very low26.2Very low155 Ų155141.6 Ų141.676%0.76478%0.779SS**  trans46.8130.8149.4-74.6168.3169.100120.2
318T25.9Very low26Very low136 Ų136144.4 Ų144.483%0.83479%0.788SS**  -170.9172.362.542.20000111.2
319H24.6Very low25.9Very low138 Ų138137 Ų13764%0.63978%0.784SS**  cis167.2111.1-31.9-150.9-75000108.7
320T23.4Very low26Very low145 Ų145137.2 Ų137.289%0.8979%0.785SS**  trans-169.8109158.86.80000107.6
321S23.3Very low25.5Very low88 Ų88141.4 Ų141.462%0.61579%0.791SS**  cis82.589.728.4-164.20000116.3
322V24.5Very low25.2Very low138 Ų138135 Ų13584%0.83678%0.782SS**  trans-159.7139.7141.7-178.10000106.7
323K24.3Very low25.4Very low198 Ų198141.6 Ų141.686%0.86179%0.79SS**  cis-158.2164.9-33.7-107-175.9-177.2179.80106.8
324S27.1Very low25.3Very low99 Ų99137.4 Ų137.469%0.69279%0.786SS**  trans-135.1172.6165.165.80000111.2
325P31.3Very low25.4Very low118 Ų118136.7 Ų136.777%0.76679%0.786SS**  trans-111133.1143.66.814.1000109.7
326V27.8Very low25.4Very low128 Ų128136 Ų13678%0.77679%0.786SS**  7112760.8173.90000111.3
327S27.2Very low25.4Very low103 Ų103139.1 Ų139.172%0.7279%0.793SS**  cis-169.6169.3-11.5530000111.1
328N27.8Very low25.4Very low167 Ų167142.2 Ų142.289%0.89380%0.796SS**  trans-14.8133.5165.4-65.5-5.2000118.7
329G23.7Very low25.3Very low76 Ų76140.5 Ų140.578%0.78479%0.79SS**  trans-160.6114.5160.400000111.6
330T27.8Very low25.4Very low139 Ų139141.1 Ų141.185%0.85380%0.798SS**  trans-63.2135.5163.841.10000110.3
331F23Very low25.5Very low210 Ų210137.4 Ų137.492%0.92179%0.788SS**  trans-148.5149.5160.8-132.7-90.4000114.4
332S21.8Very low25.6Very low109 Ų109141.1 Ų141.176%0.76280%0.795SS**  trans-85.7169.2-173.4-56.40000113.3
333F29.9Very low25.6Very low214 Ų214140.3 Ų140.394%0.93979%0.791SS**  trans-79.7116.4-178.8-164.8-85.2000112
334D22.4Very low25.7Very low161 Ų161139.9 Ų139.986%0.86179%0.785SS**  trans-161.9158.1159-142.7-14.1000113.9
335G25.9Very low25.8Very low61 Ų61143.6 Ų143.663%0.62979%0.791SS**  trans73.988.5147.500000122.7
336Q22.4Very low26.1Very low189 Ų189143.2 Ų143.288%0.88379%0.787SS**  trans55.8117.5138.9-74.1177.8-46.300124.3
337M24.5Very low26.4Very low149 Ų149142.6 Ų142.673%0.73478%0.783SS**  trans78117133.3-83.5-157.7147.900124.6
338R24.1Very low26.8Very low220 Ų220144 Ų14483%0.8378%0.778SS**  trans94139.2130.1-82.5-177.6165.2171.6-3.3122
339S25.1Very low27.5Very low101 Ų101143 Ų14371%0.70677%0.766SS**  trans88.3116.4163.3-106.90000121
340D25.7Very low28.2Very low151 Ų151146.1 Ų146.181%0.80776%0.764SS**  trans67.4150.7141-55.6-48.8000123.2
341G25.9Very low29.2Very low66 Ų66141.2 Ų141.268%0.6874%0.735SS**  trans91.766.1156.600000117.8V343G341-V343 PolarHBondContact O-N 2.56Å; G341-V343 VanDerWaalsContact O-N 3.11Å
342H26Very low30.2Very low166 Ų166133.6 Ų133.677%0.76972%0.717SS**  trans-77.193.2164.7-80.440.2000111.2Y344H342-Y344 HydrophobicContact CB-CE2 4.07Å
343V24.1Very low31.3Very low122 Ų122134.4 Ų134.474%0.73971%0.712SS**  trans-83.6112.7164.6178.80000108.5G341 H345G341-V343 PolarHBondContact O-N 2.56Å; G341-V343 VanDerWaalsContact O-N 3.11Å; V343-H345 PolarHBondContact O-N 3.25Å
344Y26.9Very low32Very low188 Ų188129.4 Ų129.474%0.73769%0.687SS**  trans-84111.6173.7-71.1-86.7000110.2H342 T346H342-Y344 HydrophobicContact CB-CE2 4.07Å; Y344-T346 PolarHBondContact O-N 3.12Å
345H29.6Very low33.2Very low177 Ų177129.8 Ų129.882%0.81968%0.681SS**  trans-82103.7163.8-87.9-78.2000109.8V343 V347V343-H345 PolarHBondContact O-N 3.25Å; H345-V347 PolarHBondContact O-N 3.07Å
346T36.3Very low34Very low111 Ų111132.3 Ų132.368%0.68168%0.68SS**  trans-78.8110.4168.942.40000110Y344 H348Y344-T346 PolarHBondContact O-N 3.12Å; T346-H348 PolarHBondContact O-N 3.26Å
347V34.7Very low35.4Very low114 Ų114127.6 Ų127.669%0.69166%0.661SS**  trans-73.1112.8170.8179.20000108.2H345 S351H345-V347 PolarHBondContact O-N 3.07Å; V347-S351 WeakPolarHBondContact CG1-OG 3.46Å
348H36.3Very low36.6Very low132 Ų132124 Ų12461%0.61164%0.644SS**  trans-63.8142.7179.1-90.8-101.7000112T346 D350 S351T346-H348 PolarHBondContact O-N 3.26Å; H348-D350 PolarHBondContact O-N 2.86Å; H348-D350 VanDerWaalsContact O-N 3.16Å; H348-S351 WeakPolarHBondContact O-CB 3.36Å; H348-S351 PolarHBondContact O-N 3.42Å; H348-S351 PolarHBondContact O-OG 2.93Å
349K41.7Very low37.5Very low148 Ų148119.2 Ų119.264%0.64363%0.631SS**THydrogen-bonded Turntrans-58.8-25.9-179.7-162.5179.9179.7-170.60113.1
350D38.9Very low38.5Very low140 Ų140122.2 Ų122.275%0.74963%0.631SS**THydrogen-bonded Turntrans-93.32.2-177.4-41.9-60.5000113.1H348 G352H348-D350 PolarHBondContact O-N 2.86Å; H348-D350 VanDerWaalsContact O-N 3.16Å; D350-G352 PolarHBondContact O-N 3.25Å
351S47.5Very low39.7Very low36 Ų36120.1 Ų120.125%0.25262%0.619SS.*  trans-64125.9173.159.80000110.4V347 H348 L353 Y354V347-S351 WeakPolarHBondContact CG1-OG 3.46Å; H348-S351 WeakPolarHBondContact O-CB 3.36Å; H348-S351 PolarHBondContact O-N 3.42Å; H348-S351 PolarHBondContact O-OG 2.93Å; S351-L353 PolarHBondContact O-N 3.48Å; S351-Y354 WeakPolarHBondContact O-CB 3.2Å; S351-Y354 PolarHBondContact O-N 3.08Å
352G43.8Very low40.6Very low51 Ų51122.2 Ų122.253%0.52661%0.611SS.*Hα-helixtrans-54.2-25.4-178.500000113.9D350 Y354 K355 D356D350-G352 PolarHBondContact O-N 3.25Å; G352-Y354 PolarHBondContact O-N 3.22Å; G352-K355 PolarHBondContact O-N 2.86Å; G352-K355 VanDerWaalsContact O-N 3.15Å; G352-D356 PolarHBondContact O-N 2.66Å
353L45.1Very low41.3Very low125 Ų125119.4 Ų119.465%0.65460%0.601SS**Hα-helixtrans-53.7-35.5172.3-148.686.7000113.4S351 L357S351-L353 PolarHBondContact O-N 3.48Å; L353-L357 PolarHBondContact O-N 3.34Å
354Y45.9Very low42.1Very low109 Ų109120.2 Ų120.243%0.42760%0.601SS.*Hα-helixtrans-71.3-42.2178.3-177.4-103.6000111.8S351 G352 L358S351-Y354 WeakPolarHBondContact O-CB 3.2Å; S351-Y354 PolarHBondContact O-N 3.08Å; G352-Y354 PolarHBondContact O-N 3.22Å; Y354-L358 HydrophobicContact CD1-CD1 4.03Å; Y354-L358 HydrophobicContact CE1-CD1 3.45Å; Y354-L358 VanDerWaalsContact CE1-CD1 3.45Å; Y354-L358 HydrophobicContact CE2-CD1 4.32Å; Y354-L358 WeakPolarHBondContact O-CB 3.42Å; Y354-L358 PolarHBondContact O-N 2.89Å; Y354-L358 VanDerWaalsContact O-N 3.12Å
355K46.4Very low42.8Very low170 Ų170120.9 Ų120.974%0.73960%0.602SS**Hα-helixtrans-63.7-44173.1-79.9-176.5174.7177.60111.1G352 L357 L358 H359G352-K355 PolarHBondContact O-N 2.86Å; G352-K355 VanDerWaalsContact O-N 3.15Å; K355-L357 PolarHBondContact O-N 2.99Å; K355-L358 PolarHBondContact O-N 3.36Å; K355-H359 WeakPolarHBondContact O-CB 3.32Å; K355-H359 PolarHBondContact O-N 3.15Å
356D44.1Very low43Very low114 Ų114116.6 Ų116.661%0.6160%0.597SS**Hα-helixtrans-61.8-41.7177.9-106.46.2000112.7G352 H359 K360G352-D356 PolarHBondContact O-N 2.66Å; D356-H359 PolarHBondContact O-N 3.48Å; D356-K360 PolarHBondContact O-N 2.75Å
357L50Low43Very low90 Ų90117 Ų11747%0.47160%0.6SS.*Hα-helixtrans-64-45.1175.3-115.8102.7000112L353 K355 H359 K360 I361L353-L357 PolarHBondContact O-N 3.34Å; K355-L357 PolarHBondContact O-N 2.99Å; L357-H359 VanDerWaalsContact C-N 3.28Å; L357-H359 PolarHBondContact O-N 2.82Å; L357-K360 PolarHBondContact O-N 3.14Å; L357-I361 WeakPolarHBondContact O-CG1 3.5Å; L357-I361 PolarHBondContact O-N 3.23Å
358L50.5Low42.9Very low72 Ų72118.1 Ų118.138%0.37760%0.602SS.*Hα-helixtrans-62.5-36177.3-107.7152000112.2Y354 K355 H362Y354-L358 HydrophobicContact CD1-CD1 4.03Å; Y354-L358 HydrophobicContact CE1-CD1 3.45Å; Y354-L358 VanDerWaalsContact CE1-CD1 3.45Å; Y354-L358 HydrophobicContact CE2-CD1 4.32Å; Y354-L358 WeakPolarHBondContact O-CB 3.42Å; Y354-L358 PolarHBondContact O-N 2.89Å; Y354-L358 VanDerWaalsContact O-N 3.12Å; K355-L358 PolarHBondContact O-N 3.36Å; L358-H362 PolarHBondContact O-N 3.33Å; L358-H362 PolarHBondContact O-ND1 3.22Å
359H43.8Very low42.6Very low120 Ų120121.2 Ų121.256%0.55662%0.617SS**Hα-helixtrans-69.7-44.3175.5-171.1-118.5000111.6K355 D356 L357 I361 H362 L363K355-H359 WeakPolarHBondContact O-CB 3.32Å; K355-H359 PolarHBondContact O-N 3.15Å; D356-H359 PolarHBondContact O-N 3.48Å; L357-H359 VanDerWaalsContact C-N 3.28Å; L357-H359 PolarHBondContact O-N 2.82Å; H359-I361 PolarHBondContact O-N 3.37Å; H359-H362 PolarHBondContact O-N 3.41Å; H359-H362 VanDerWaalsContact O-N 3.17Å; H359-L363 PolarHBondContact O-N 2.82Å
360K45.1Very low42.3Very low164 Ų164124.5 Ų124.571%0.71363%0.625SS**Hα-helixtrans-60.1-42.2176.1-120174-179.5173.80112.9D356 L357 H362 L363 D364D356-K360 PolarHBondContact O-N 2.75Å; L357-K360 PolarHBondContact O-N 3.14Å; K360-H362 VanDerWaalsContact C-N 3.3Å; K360-H362 PolarHBondContact O-N 2.81Å; K360-L363 PolarHBondContact O-N 3.18Å; K360-D364 PolarHBondContact O-N 3.18Å
361I51Low42.1Very low108 Ų108123.5 Ų123.555%0.55463%0.626SS**Hα-helixtrans-67.9-29.8177.8-68.2166.8000111.8L357 H359L357-I361 WeakPolarHBondContact O-CG1 3.5Å; L357-I361 PolarHBondContact O-N 3.23Å; H359-I361 PolarHBondContact O-N 3.37Å
362H45.5Very low41.1Very low110 Ų110126.3 Ų126.351%0.50965%0.652SS.*Hα-helixtrans-76.2-30.6173.2-82.197.2000113.4L358 H359 K360 R365L358-H362 PolarHBondContact O-N 3.33Å; L358-H362 PolarHBondContact O-ND1 3.22Å; H359-H362 PolarHBondContact O-N 3.41Å; H359-H362 VanDerWaalsContact O-N 3.17Å; K360-H362 VanDerWaalsContact C-N 3.3Å; K360-H362 PolarHBondContact O-N 2.81Å; H362-R365 VanDerWaalsContact O-CB 3.29Å; H362-R365 WeakPolarHBondContact O-CB 3.18Å; H362-R365 PolarHBondContact O-N 3.16Å
363L39.3Very low41.2Very low107 Ų107129.7 Ų129.756%0.5666%0.664SS**Hα-helixtrans-68.4-36.8174.9-92.1151.7000112.6H359 K360 R365 A366H359-L363 PolarHBondContact O-N 2.82Å; K360-L363 PolarHBondContact O-N 3.18Å; L363-R365 PolarHBondContact O-N 3.08Å; L363-A366 PolarHBondContact O-N 3.16Å
364D41Very low40.4Very low139 Ų139132.9 Ų132.974%0.74368%0.676SS**THydrogen-bonded Turntrans-65.4-8.3177.8-139.841.1000113.6K360K360-D364 PolarHBondContact O-N 3.18Å
365R42.2Very low39.6Very low202 Ų202134.7 Ų134.776%0.76269%0.693SS**THydrogen-bonded Turntrans-81.8-12.4177.5-171.8177.7165.6-171.8-6.8113.7H362 L363H362-R365 VanDerWaalsContact O-CB 3.29Å; H362-R365 WeakPolarHBondContact O-CB 3.18Å; H362-R365 PolarHBondContact O-N 3.16Å; L363-R365 PolarHBondContact O-N 3.08Å
366A34.1Very low39Very low86 Ų86133.9 Ų133.971%0.71170%0.697SS**SBendtrans-91.7-8.8-165.500000115.8L363L363-A366 PolarHBondContact O-N 3.16Å
367T35.7Very low38.3Very low121 Ų121138.6 Ų138.674%0.74271%0.707SS**  trans-123.797-178.3490000111.1
368D34.3Very low37.3Very low137 Ų137143.6 Ų143.673%0.73373%0.725SS**  trans-130.468.6179.8-161.612.9000111
369E28.7Very low36.3Very low196 Ų196148 Ų14892%0.91675%0.748SS**  trans-98.7121.6156.9-77.3-162.7151.900108.8
370R36.2Very low35.8Very low218 Ų218149.6 Ų149.682%0.82376%0.76SS**  trans-81.6150.4177.9-58.3-178.2-172.3169.54.7110.9
371P33.7Very low35.3Very low119 Ų119153.2 Ų153.277%0.77377%0.769SS**  -149.4154.6104.936.3-20.4000117.4
372A27.8Very low34.8Very low95 Ų95158.7 Ų158.779%0.78578%0.783SS**  trans62.7153.8147.500000121.1
373P44.2Very low34.2Very low122 Ų122160.2 Ų160.279%0.79280%0.795SS**  trans-119.9121.7-153.936.3-20.3000115.1
374E29.1Very low34.2Very low192 Ų192161.9 Ų161.990%0.89781%0.805SS**  trans-150.9153.5157.5-116.1169.6-142.600111
375N29.7Very low34.5Very low146 Ų146157.4 Ų157.478%0.78178%0.784SS**SBendtrans69.2131.4-171.2-76.8-38000119Y377N375-Y377 PolarHBondContact O-N 3.27Å
376N32.7Very low34.5Very low154 Ų154155.3 Ų155.382%0.82478%0.777SS**  trans-78.676.2-176.7-88.3-67.5000113.1
377Y30.5Very low34.9Very low212 Ų212156.1 Ų156.183%0.83177%0.773SS**  trans-104.293.2156.4-69-76.1000109.7N375 L379N375-Y377 PolarHBondContact O-N 3.27Å; Y377-L379 PolarHBondContact O-N 2.88Å
378K27.9Very low35.3Very low195 Ų195153.1 Ų153.185%0.84876%0.757SS**PPolyproline II helixtrans-67.2125.2164.7-84-178.6174.6174.30108.3L380K378-L380 PolarHBondContact O-N 3Å
379L30.9Very low35.9Very low164 Ų164153.1 Ų153.186%0.85975%0.747SS**PPolyproline II helixtrans-48.2138.5173.9-82.281.7000110.7Y377 R381Y377-L379 PolarHBondContact O-N 2.88Å; L379-R381 PolarHBondContact O-N 3.33Å; L379-R381 VanDerWaalsContact O-N 3.12Å
380L33.5Very low36.7Very low154 Ų154147.3 Ų147.381%0.80673%0.726SS**PPolyproline II helixtrans-53.7120.4172.1-102.5102000109.6K378 R382K378-L380 PolarHBondContact O-N 3Å; L380-R382 PolarHBondContact O-N 3.13Å
381R33.2Very low37.3Very low240 Ų240138.1 Ų138.191%0.90670%0.696SS**  trans-68.4104.1175.4-173.5179.3-177.1-173.81.1108.8L379 N383L379-R381 PolarHBondContact O-N 3.33Å; L379-R381 VanDerWaalsContact O-N 3.12Å; R381-N383 PolarHBondContact O-N 3.22Å; R381-N383 VanDerWaalsContact O-N 3.12Å
382R41Very low37.9Very low224 Ų224136.1 Ų136.185%0.84569%0.69SS**  trans-23.3107.3171.1173.8179.6160.9-176-5.4112.7L380L380-R382 PolarHBondContact O-N 3.13Å
383N33.1Very low38.7Very low142 Ų142137.8 Ų137.876%0.75968%0.684SS**  trans-145.7112.3165.2-123.41.6000108.4R381 S385R381-N383 PolarHBondContact O-N 3.22Å; R381-N383 VanDerWaalsContact O-N 3.12Å; N383-S385 VanDerWaalsContact C-N 3.3Å; N383-S385 PolarHBondContact O-N 2.67Å
384N40Very low38.7Very low142 Ų142136 Ų13676%0.75967%0.673SS**  trans-76.476.9-176.6-74.76000110.7
385S45.4Very low39Very low45 Ų45129.8 Ų129.832%0.31566%0.661SS.*  trans-114.3125.7168.7590000110.6N383 T387 C388 Y389N383-S385 VanDerWaalsContact C-N 3.3Å; N383-S385 PolarHBondContact O-N 2.67Å; S385-T387 PolarHBondContact O-N 3Å; S385-T387 VanDerWaalsContact O-N 3.13Å; S385-C388 WeakPolarHBondContact O-CB 3.45Å; S385-C388 PolarHBondContact O-N 3.32Å; S385-Y389 WeakPolarHBondContact O-CD2 3.43Å
386Y42.2Very low39.2Very low157 Ų157129.2 Ų129.262%0.61666%0.656SS**Hα-helixtrans-48.2-39.8172.6-95.5-100.9000111.4C388 Y389 T390Y386-C388 PolarHBondContact O-N 3.2Å; Y386-C388 VanDerWaalsContact O-N 3.16Å; Y386-Y389 WeakPolarHBondContact O-CB 3.5Å; Y386-Y389 PolarHBondContact O-N 3.42Å; Y386-T390 PolarHBondContact O-N 2.86Å; Y386-T390 PolarHBondContact O-OG1 3.45Å
387T43.2Very low39.2Very low103 Ų103127.4 Ų127.463%0.63265%0.652SS**Hα-helixtrans-52.7-34.8177.4-29.80000114S385 A391S385-T387 PolarHBondContact O-N 3Å; S385-T387 VanDerWaalsContact O-N 3.13Å; T387-A391 WeakPolarHBondContact O-CB 3.46Å; T387-A391 PolarHBondContact O-N 3.24Å
388C44.9Very low39.5Very low58 Ų58123.1 Ų123.139%0.39265%0.648SS.*Hα-helixtrans-74.2-39.6179.4-162.30000111.4S385 Y386 A391 A392S385-C388 WeakPolarHBondContact O-CB 3.45Å; S385-C388 PolarHBondContact O-N 3.32Å; Y386-C388 PolarHBondContact O-N 3.2Å; Y386-C388 VanDerWaalsContact O-N 3.16Å; C388-A391 PolarHBondContact O-N 3.25Å; C388-A392 PolarHBondContact O-N 3.04Å; C388-A392 VanDerWaalsContact O-N 3.13Å
389Y45.6Very low39.6Very low137 Ų137122.5 Ų122.554%0.53765%0.648SS.*Hα-helixtrans-65.6-42.7172.5-64.4-76.5000111.7S385 Y386 A391 A392 I393S385-Y389 WeakPolarHBondContact O-CD2 3.43Å; Y386-Y389 WeakPolarHBondContact O-CB 3.5Å; Y386-Y389 PolarHBondContact O-N 3.42Å; Y389-A391 PolarHBondContact O-N 3.38Å; Y389-A392 PolarHBondContact O-N 2.95Å; Y389-I393 WeakPolarHBondContact O-CD1 3.35Å; Y389-I393 VanDerWaalsContact O-CG1 3.25Å; Y389-I393 WeakPolarHBondContact O-CG1 3.3Å; Y389-I393 PolarHBondContact O-N 2.87Å
390T46.6Very low39.8Very low75 Ų75120.1 Ų120.146%0.4665%0.645SS.*Hα-helixtrans-62.2-43.9176-41.60000111.8Y386 A392 I393 C394Y386-T390 PolarHBondContact O-N 2.86Å; Y386-T390 PolarHBondContact O-OG1 3.45Å; T390-A392 VanDerWaalsContact C-N 3.33Å; T390-A392 PolarHBondContact O-N 3.29Å; T390-I393 PolarHBondContact O-N 3.39Å; T390-C394 WeakPolarHBondContact O-CB 3.48Å; T390-C394 PolarHBondContact O-N 3.2Å; T390-C394 PolarHBondContact O-SG 3.05Å; T390-C394 VanDerWaalsContact O-SG 3.36Å
391A48.2Very low39.5Very low25 Ų25117.2 Ų117.221%0.20764%0.637CS.*Hα-helixtrans-62.8-37.917800000112.8T387 C388 Y389 G395 M396T387-A391 WeakPolarHBondContact O-CB 3.46Å; T387-A391 PolarHBondContact O-N 3.24Å; C388-A391 PolarHBondContact O-N 3.25Å; Y389-A391 PolarHBondContact O-N 3.38Å; A391-G395 PolarHBondContact O-N 3.23Å; A391-M396 PolarHBondContact O-N 3.44Å; A391-M396 VanDerWaalsContact O-N 3.14Å
392A47.2Very low39.1Very low77 Ų77115.8 Ų115.864%0.63664%0.638SS**Hα-helixtrans-67.3-42.6174.500000112.3C388 Y389 T390 C394 G395C388-A392 PolarHBondContact O-N 3.04Å; C388-A392 VanDerWaalsContact O-N 3.13Å; Y389-A392 PolarHBondContact O-N 2.95Å; T390-A392 VanDerWaalsContact C-N 3.33Å; T390-A392 PolarHBondContact O-N 3.29Å; A392-C394 VanDerWaalsContact C-N 3.34Å; A392-C394 PolarHBondContact O-N 3.1Å; A392-G395 PolarHBondContact O-N 2.92Å
393I44.1Very low38.5Very low129 Ų129114.6 Ų114.666%0.66264%0.639SS**Hα-helixtrans-64.9-37.2176.8-68.9163.7000111.4Y389 T390 G395Y389-I393 WeakPolarHBondContact O-CD1 3.35Å; Y389-I393 VanDerWaalsContact O-CG1 3.25Å; Y389-I393 WeakPolarHBondContact O-CG1 3.3Å; Y389-I393 PolarHBondContact O-N 2.87Å; T390-I393 PolarHBondContact O-N 3.39Å; I393-G395 VanDerWaalsContact C-N 3.27Å; I393-G395 PolarHBondContact O-N 3.24Å
394C43.6Very low38.4Very low84 Ų84112.3 Ų112.357%0.56864%0.64SS**THydrogen-bonded Turntrans-81.64177.3-64.80000114.4T390 A392 M396T390-C394 WeakPolarHBondContact O-CB 3.48Å; T390-C394 PolarHBondContact O-N 3.2Å; T390-C394 PolarHBondContact O-SG 3.05Å; T390-C394 VanDerWaalsContact O-SG 3.36Å; A392-C394 VanDerWaalsContact C-N 3.34Å; A392-C394 PolarHBondContact O-N 3.1Å; C394-M396 HydrophobicContact CB-CG 4.4Å; C394-M396 PolarHBondContact O-N 2.88Å
395G35.4Very low37.9Very low63 Ų63109.8 Ų109.865%0.64964%0.639SS**THydrogen-bonded Turntrans63.721.417700000115.1A391 A392 I393A391-G395 PolarHBondContact O-N 3.23Å; A392-G395 PolarHBondContact O-N 2.92Å; I393-G395 VanDerWaalsContact C-N 3.27Å; I393-G395 PolarHBondContact O-N 3.24Å
396M33.7Very low36.9Very low133 Ų133115.4 Ų115.466%0.65567%0.665SS**  trans-78.8124.8-175.3-77.8-172.3159.300112A391 C394 V398A391-M396 PolarHBondContact O-N 3.44Å; A391-M396 VanDerWaalsContact O-N 3.14Å; C394-M396 HydrophobicContact CB-CG 4.4Å; C394-M396 PolarHBondContact O-N 2.88Å; M396-V398 PolarHBondContact O-N 3.17Å
397P33.3Very low36.2Very low116 Ų116114 Ų11475%0.75367%0.673SS**  trans-73.5109.7176.728.7-33.1000111.1H399P397-H399 PolarHBondContact O-N 2.66Å
398V36.5Very low35.3Very low123 Ų123114.7 Ų114.775%0.74568%0.682SS**  trans-79.582.5177.6-173.30000110.1M396 S400M396-V398 PolarHBondContact O-N 3.17Å; V398-S400 PolarHBondContact O-N 3.06Å
399H29.5Very low34.4Very low181 Ų181118.3 Ų118.384%0.83870%0.703SS**  trans-70.8123.8178.1-118.5-77.8000111.8P397P397-H399 PolarHBondContact O-N 2.66Å
400S34.8Very low33.8Very low115 Ų115116.9 Ų116.980%0.80471%0.71SS**  trans-114.386.2179.651.30000111.9V398V398-S400 PolarHBondContact O-N 3.06Å
401S27.1Very low32.8Very low92 Ų92121.7 Ų121.764%0.64373%0.728SS**  trans-160124.5164.7-167.40000112
402F26.5Very low31.7Very low211 Ų211127.5 Ų127.593%0.92576%0.755SS**  -158.2138.4114-116.2-81.5000109.3
403K26.9Very low30.8Very low198 Ų198128.6 Ų128.686%0.86176%0.758SS**  trans-110.6160-169.7-160.7-178.5179.5-169.90110.2
404A31.7Very low30Very low94 Ų94129.7 Ų129.778%0.77776%0.76SS**  trans-83.2173.2-173.300000115.1
405A28.7Very low29.2Very low89 Ų89133.2 Ų133.274%0.73677%0.766SS**  trans85.4119.8167.200000117.8
406D25.8Very low28.8Very low163 Ų163138.7 Ų138.787%0.87278%0.779SS**  -162171.698.1-106.5-26000113.4
407T27.1Very low28.5Very low127 Ų127139.3 Ų139.378%0.77979%0.79SS**  trans-109146.9-156.1-28.80000113.8
408S23.7Very low28.2Very low119 Ų119136.8 Ų136.883%0.83279%0.785SS**  trans-177134.814231.10000113.5
409T26.3Very low27.7Very low134 Ų134138.7 Ų138.782%0.82279%0.792SS**  trans-108.5160.916150.70000108.4
410P32.6Very low27.5Very low107 Ų107136.7 Ų136.770%0.69579%0.792SS**  -145.1158.189.336.4-19000115.8
411E26.5Very low27.2Very low176 Ų176137.7 Ų137.782%0.82279%0.793SS**  trans38.8139.2137.1-61.6165.8177.200120
412D24.5Very low27.1Very low146 Ų146138.2 Ų138.278%0.78180%0.797SS**  cis-165.6175.321.4-140-18.2000114.4
413S28.5Very low27.2Very low100 Ų100139.8 Ų139.870%0.69980%0.798SS**  trans81.891.6157.2-61.80000123.3
414E27.2Very low27.1Very low152 Ų152135.5 Ų135.571%0.7179%0.794SS**  52.2126.4129.2-63-144.9120.700126.4
415K26.4Very low26.9Very low159 Ų159140.5 Ų140.569%0.69180%0.798SS**  trans64.1109138.8-66.4169.2-174.9140.70121
416L27.3Very low26.6Very low177 Ų177145.4 Ų145.493%0.92780%0.803SS**  -167.7158.4100.3-113.5135.9000112.7
417V28.3Very low26.6Very low146 Ų146149.1 Ų149.189%0.88580%0.804SS**  trans-93.5138.1-174.1172.10000111.4
418G26.9Very low26.5Very low63 Ų63148.7 Ų148.765%0.64980%0.801SS**  trans147.788.5165.100000114.2T420G418-T420 PolarHBondContact O-N 2.66Å; G418-T420 VanDerWaalsContact O-N 3.16Å
419D25.9Very low26.8Very low164 Ų164153.7 Ų153.788%0.87780%0.802SS**  trans-64.8109.5-174.3-77-41.3000114.3
420T24.7Very low27Very low138 Ų138154.5 Ų154.585%0.84779%0.791SS**  trans-92.196.9158.544.80000110G418 S422G418-T420 PolarHBondContact O-N 2.66Å; G418-T420 VanDerWaalsContact O-N 3.16Å; T420-S422 PolarHBondContact O-N 3.47Å
421V27.8Very low27Very low137 Ų137154.7 Ų154.783%0.8379%0.786SS**  trans-74.3116.5178178.70000110.8
422S25.6Very low27.4Very low103 Ų103150.9 Ų150.972%0.7278%0.779SS**  trans-77.9151.9177.659.10000112.9T420 S424T420-S422 PolarHBondContact O-N 3.47Å; S422-S424 PolarHBondContact O-N 3.44Å
423Y28.4Very low28Very low243 Ų243152.8 Ų152.895%0.95378%0.777SS**  trans-67.294.7178.6-99.1-99.8000112.1
424S24.3Very low28.4Very low109 Ų109150.6 Ų150.676%0.76276%0.762SS**  trans-87.6112.1163.7-173.40000110.7S422 K426S422-S424 PolarHBondContact O-N 3.44Å; S424-K426 VanDerWaalsContact C-N 3.32Å; S424-K426 PolarHBondContact O-N 2.9Å
425K27.7Very low28.9Very low199 Ų199146.6 Ų146.687%0.86575%0.75SS**  trans-71.181.6-178.8-170.2174.6-175.3171.80110.9R427K425-R427 PolarHBondContact O-N 2.84Å
426K24.1Very low29.4Very low192 Ų192146.6 Ų146.684%0.83575%0.747SS**  trans-62.196.1178.6-158.5175.4-1701780110.4S424 V428S424-K426 VanDerWaalsContact C-N 3.32Å; S424-K426 PolarHBondContact O-N 2.9Å; K426-V428 PolarHBondContact O-N 3.31Å
427R24.5Very low30Very low240 Ų240140.8 Ų140.891%0.90672%0.72SS**  trans-59.5111167.3-91.3-171.4177.7-177.30.7107.9K425 R429K425-R427 PolarHBondContact O-N 2.84Å; R427-R429 PolarHBondContact O-N 2.77Å
428V26.2Very low30.6Very low119 Ų119137.1 Ų137.172%0.72170%0.696SS**  trans-64.8125172.1177.70000108K426 Y430K426-V428 PolarHBondContact O-N 3.31Å; V428-Y430 PolarHBondContact O-N 2.98Å
429R28.3Very low31.3Very low224 Ų224136.6 Ų136.685%0.84569%0.686SS**  trans-71.8118.6170.1-130.1-178.5-150.8123.23.3106.6R427 D431R427-R429 PolarHBondContact O-N 2.77Å; R429-D431 PolarHBondContact O-N 2.96Å
430Y32.2Very low32.1Very low150 Ų150131.3 Ų131.359%0.58866%0.659SS**  trans-75.7108.1168.3-100.7-98000108V428V428-Y430 PolarHBondContact O-N 2.98Å
431D31.1Very low32.7Very low111 Ų111126.6 Ų126.659%0.59463%0.634SS**  trans-71.2142.8168.5-70.8-33.4000109.4R429 Y433 S434 S435R429-D431 PolarHBondContact O-N 2.96Å; D431-Y433 PolarHBondContact O-N 3.42Å; D431-S434 WeakPolarHBondContact O-CB 3.37Å; D431-S434 PolarHBondContact O-N 3.19Å; D431-S435 PolarHBondContact O-N 3.14Å
432S35.9Very low33.2Very low97 Ų97125.9 Ų125.968%0.67862%0.622SS**Hα-helixtrans-55.5-28.4-171.1-42.60000113.7S435 Y436S432-S435 PolarHBondContact O-N 3.27Å; S432-Y436 WeakPolarHBondContact O-CB 3.25Å; S432-Y436 PolarHBondContact O-N 2.97Å
433Y35.7Very low33.7Very low185 Ų185123.7 Ų123.773%0.72561%0.61SS**Hα-helixtrans-66.8-43.3175-165-99.2000112.1D431 S435 Y436 C437D431-Y433 PolarHBondContact O-N 3.42Å; Y433-S435 VanDerWaalsContact C-N 3.33Å; Y433-S435 PolarHBondContact O-N 3.13Å; Y433-Y436 PolarHBondContact O-N 3Å; Y433-C437 PolarHBondContact O-N 3.02Å; Y433-C437 PolarHBondContact O-SG 3.34Å; Y433-C437 VanDerWaalsContact O-SG 3.32Å
434S37.3Very low34.2Very low55 Ų55118.2 Ų118.239%0.38559%0.593SS.*Hα-helixtrans-68.9-31.3176.4-169.10000112.5D431 N438D431-S434 WeakPolarHBondContact O-CB 3.37Å; D431-S434 PolarHBondContact O-N 3.19Å; S434-N438 WeakPolarHBondContact O-CB 3.01Å; S434-N438 PolarHBondContact O-N 3.5Å; S434-N438 VanDerWaalsContact O-N 3.08Å
435S37.5Very low34.8Very low67 Ų67117.9 Ų117.947%0.46958%0.582SS.*Hα-helixtrans-72.2-35.5172.9-166.30000111.9D431 S432 Y433 A439D431-S435 PolarHBondContact O-N 3.14Å; S432-S435 PolarHBondContact O-N 3.27Å; Y433-S435 VanDerWaalsContact C-N 3.33Å; Y433-S435 PolarHBondContact O-N 3.13Å; S435-A439 VanDerWaalsContact O-CB 3.3Å; S435-A439 WeakPolarHBondContact O-CB 3.3Å; S435-A439 PolarHBondContact O-N 3.43Å
436Y38.5Very low35.2Very low160 Ų160115.5 Ų115.563%0.62757%0.574SS**Hα-helixtrans-68.4-46.5175.2-175.1-95.4000111.2S432 Y433 N438 A439 V440S432-Y436 WeakPolarHBondContact O-CB 3.25Å; S432-Y436 PolarHBondContact O-N 2.97Å; Y433-Y436 PolarHBondContact O-N 3Å; Y436-N438 VanDerWaalsContact C-N 3.33Å; Y436-N438 PolarHBondContact O-N 3.49Å; Y436-A439 PolarHBondContact O-N 3.45Å; Y436-V440 HydrophobicContact CD1-CG2 3.99Å; Y436-V440 HydrophobicContact CE1-CG2 3.64Å; Y436-V440 HydrophobicContact CE2-CG2 4.27Å; Y436-V440 HydrophobicContact CG-CG2 4.44Å; Y436-V440 WeakPolarHBondContact O-CB 3.4Å; Y436-V440 VanDerWaalsContact O-CG2 3.31Å; Y436-V440 WeakPolarHBondContact O-CG2 3.26Å; Y436-V440 PolarHBondContact O-N 3.21Å
437C38.5Very low35.7Very low54 Ų54109.4 Ų109.437%0.36556%0.559SS.*Hα-helixtrans-61.6-38.1175.3-66.90000112.7Y433 A441Y433-C437 PolarHBondContact O-N 3.02Å; Y433-C437 PolarHBondContact O-SG 3.34Å; Y433-C437 VanDerWaalsContact O-SG 3.32Å; C437-A441 VanDerWaalsContact O-CB 3.24Å; C437-A441 WeakPolarHBondContact O-CB 3.49Å; C437-A441 PolarHBondContact O-N 3.22Å
438N42Very low36.4Very low69 Ų69106 Ų10637%0.36955%0.553SS.*Hα-helixtrans-68.3-42.3172.7-87.724.5000112.4S434 Y436 A441 E442S434-N438 WeakPolarHBondContact O-CB 3.01Å; S434-N438 PolarHBondContact O-N 3.5Å; S434-N438 VanDerWaalsContact O-N 3.08Å; Y436-N438 VanDerWaalsContact C-N 3.33Å; Y436-N438 PolarHBondContact O-N 3.49Å; N438-A441 PolarHBondContact O-N 2.92Å; N438-E442 WeakPolarHBondContact O-CB 3.29Å; N438-E442 WeakPolarHBondContact O-CG 3.47Å; N438-E442 PolarHBondContact O-N 3.06Å
439A40.9Very low36.9Very low53 Ų53108.9 Ų108.944%0.43856%0.559SS.*Hα-helixtrans-68.8-33.3179.400000112.8S435 Y436 A443S435-A439 VanDerWaalsContact O-CB 3.3Å; S435-A439 WeakPolarHBondContact O-CB 3.3Å; S435-A439 PolarHBondContact O-N 3.43Å; Y436-A439 PolarHBondContact O-N 3.45Å; A439-A443 VanDerWaalsContact O-CB 3.26Å; A439-A443 WeakPolarHBondContact O-CB 3.36Å; A439-A443 PolarHBondContact O-N 3.28Å
440V42.3Very low37Very low52 Ų52100.6 Ų100.632%0.31554%0.543SS..Hα-helixtrans-69.1-44.2171.4171.80000110.4Y436 E442 A443 E444Y436-V440 HydrophobicContact CD1-CG2 3.99Å; Y436-V440 HydrophobicContact CE1-CG2 3.64Å; Y436-V440 HydrophobicContact CE2-CG2 4.27Å; Y436-V440 HydrophobicContact CG-CG2 4.44Å; Y436-V440 WeakPolarHBondContact O-CB 3.4Å; Y436-V440 VanDerWaalsContact O-CG2 3.31Å; Y436-V440 WeakPolarHBondContact O-CG2 3.26Å; Y436-V440 PolarHBondContact O-N 3.21Å; V440-E442 PolarHBondContact O-N 3.13Å; V440-A443 PolarHBondContact O-N 3.17Å; V440-E444 WeakPolarHBondContact O-CG 3.49Å; V440-E444 PolarHBondContact O-N 3.24Å
441A37.4Very low37.3Very low39 Ų3996.7 Ų96.732%0.32255%0.549SS..Hα-helixtrans-64.2-38.117500000112.7C437 N438 E444 I445C437-A441 VanDerWaalsContact O-CB 3.24Å; C437-A441 WeakPolarHBondContact O-CB 3.49Å; C437-A441 PolarHBondContact O-N 3.22Å; N438-A441 PolarHBondContact O-N 2.92Å; A441-E444 PolarHBondContact O-N 3.05Å; A441-I445 WeakPolarHBondContact O-CB 3.44Å; A441-I445 VanDerWaalsContact O-CD1 3.3Å; A441-I445 WeakPolarHBondContact O-CD1 3.24Å; A441-I445 WeakPolarHBondContact O-CG1 3.31Å; A441-I445 PolarHBondContact O-N 3.03Å
442E39.3Very low37.1Very low123 Ų12396.5 Ų96.558%0.57555%0.551SS**Hα-helixtrans-67.9-37.8174.3-76.1173.2166.900111.3N438 V440 I445 E446N438-E442 WeakPolarHBondContact O-CB 3.29Å; N438-E442 WeakPolarHBondContact O-CG 3.47Å; N438-E442 PolarHBondContact O-N 3.06Å; V440-E442 PolarHBondContact O-N 3.13Å; E442-I445 PolarHBondContact O-N 2.84Å; E442-E446 PolarHBondContact O-N 3.08Å
443A36.4Very low36.8Very low57 Ų57100.2 Ų100.247%0.47156%0.558SS.*Hα-helixtrans-69.8-34.2173.500000113.4A439 V440 E446 A447A439-A443 VanDerWaalsContact O-CB 3.26Å; A439-A443 WeakPolarHBondContact O-CB 3.36Å; A439-A443 PolarHBondContact O-N 3.28Å; V440-A443 PolarHBondContact O-N 3.17Å; A443-E446 PolarHBondContact O-N 3.41Å; A443-A447 WeakPolarHBondContact O-CB 3.3Å; A443-A447 PolarHBondContact O-N 2.95Å
444E38.6Very low36.4Very low127 Ų12797.8 Ų97.859%0.59356%0.555SS**Hα-helixtrans-69.5-34.6171.2-75.6174133.500111.3V440 A441 A447 E448V440-E444 WeakPolarHBondContact O-CG 3.49Å; V440-E444 PolarHBondContact O-N 3.24Å; A441-E444 PolarHBondContact O-N 3.05Å; E444-A447 PolarHBondContact O-N 2.89Å; E444-E448 PolarHBondContact O-N 3.26Å
445I35.7Very low36.1Very low103 Ų103102.2 Ų102.253%0.52857%0.567SS.*Hα-helixtrans-68.1-39.1172.4-71.1162.1000111.7A441 E442 E448 E449A441-I445 WeakPolarHBondContact O-CB 3.44Å; A441-I445 VanDerWaalsContact O-CD1 3.3Å; A441-I445 WeakPolarHBondContact O-CD1 3.24Å; A441-I445 WeakPolarHBondContact O-CG1 3.31Å; A441-I445 PolarHBondContact O-N 3.03Å; E442-I445 PolarHBondContact O-N 2.84Å; I445-E448 PolarHBondContact O-N 2.77Å; I445-E449 PolarHBondContact O-N 3.31Å
446E36.4Very low35.8Very low149 Ų149106.1 Ų106.170%0.69658%0.582SS**Hα-helixtrans-71.6-31.4173.7-74.1-171.9154.400112.4E442 A443 E449 G450E442-E446 PolarHBondContact O-N 3.08Å; A443-E446 PolarHBondContact O-N 3.41Å; E446-E449 PolarHBondContact O-N 2.84Å; E446-G450 PolarHBondContact O-N 3.22Å
447A35.6Very low35.3Very low63 Ų63103.5 Ų103.552%0.52159%0.593SS.*Hα-helixtrans-67.5-34.3172.100000112.6A443 E444 E449 G450A443-A447 WeakPolarHBondContact O-CB 3.3Å; A443-A447 PolarHBondContact O-N 2.95Å; E444-A447 PolarHBondContact O-N 2.89Å; A447-E449 VanDerWaalsContact C-N 3.31Å; A447-E449 PolarHBondContact O-N 2.96Å; A447-G450 CarbonylContact O-C 3.54Å; A447-G450 PolarHBondContact O-N 3.49Å
448E38.3Very low34.8Very low169 Ų169106.3 Ų106.379%0.7961%0.613SS**Hα-helixtrans-64.4-29.2171.9-80.3-169.7155.400113.1E444 I445E444-E448 PolarHBondContact O-N 3.26Å; I445-E448 PolarHBondContact O-N 2.77Å
449E36.8Very low34.2Very low179 Ų179111.2 Ų111.284%0.83663%0.634SS**Hα-helixtrans-78.2-21.4173.8-68.2-160.8154.100113.1I445 E446 A447I445-E449 PolarHBondContact O-N 3.31Å; E446-E449 PolarHBondContact O-N 2.84Å; A447-E449 VanDerWaalsContact C-N 3.31Å; A447-E449 PolarHBondContact O-N 2.96Å
450G30.5Very low33.7Very low50 Ų50117.5 Ų117.552%0.51566%0.659SS.*SBendtrans-110.552-174.900000114.5E446 A447 V452E446-G450 PolarHBondContact O-N 3.22Å; A447-G450 CarbonylContact O-C 3.54Å; A447-G450 PolarHBondContact O-N 3.49Å; G450-V452 PolarHBondContact O-N 3.37Å
451G38Very low33.2Very low69 Ų69119 Ų11971%0.71168%0.677SS**  trans-42.7100.9-169.100000117.3
452V27.5Very low32.9Very low106 Ų106123 Ų12364%0.64269%0.693SS**  trans-142103.7156.41790000106.9L252 G450 M454L252-V452 HydrophobicContact CD1-CG2 4.31Å; G450-V452 PolarHBondContact O-N 3.37Å; V452-M454 PolarHBondContact O-N 3.04Å
453E29.2Very low32.8Very low176 Ų176122.9 Ų122.982%0.82270%0.703SS**  trans-85.7102.4178-169.5-179.8-162.800109.7K455E453-K455 PolarHBondContact O-N 3.48Å; E453-K455 VanDerWaalsContact O-N 3.15Å
454M27.2Very low32.8Very low134 Ų134127 Ų12766%0.6672%0.717SS**  trans-85.384.9178.9-161.7175.6-164.200110.9V452 L456V452-M454 PolarHBondContact O-N 3.04Å; M454-L456 VanDerWaalsContact C-N 3.32Å; M454-L456 PolarHBondContact O-N 2.91Å
455K31Very low32.3Very low147 Ų147131.6 Ų131.664%0.63973%0.729SS**  trans-72.477.8177.7-145.5178.1-166.4177.50110.3E453 E477E453-K455 PolarHBondContact O-N 3.48Å; E453-K455 VanDerWaalsContact O-N 3.15Å; K455-E477 VanDerWaalsContact NZ-CD 3.28Å; K455-E477 IonicContact NZ-OE1 2.68Å; K455-E477 PolarHBondContact NZ-OE1 3.03Å; K455-E477 IonicContact NZ-OE2 2.89Å; K455-E477 PolarHBondContact NZ-OE2 2.92Å
456L30.8Very low32.2Very low150 Ų150131.1 Ų131.179%0.78573%0.733SS**  trans-137.169.9176.5-162.180.5000113.4M454M454-L456 VanDerWaalsContact C-N 3.32Å; M454-L456 PolarHBondContact O-N 2.91Å
457A28.8Very low32.4Very low104 Ų104130.1 Ų130.186%0.8674%0.739SS**  trans-158.362.5169.700000112.9
458S29Very low32.4Very low113 Ų113134.1 Ų134.179%0.7975%0.752SS**  trans-176.6122.1170.8-162.60000106.2
459E28.9Very low32.1Very low172 Ų172134.4 Ų134.480%0.80475%0.753SS**  cis-139.1144.99.6-60.3171.5110.600110A461E459-A461 PolarHBondContact O-N 2.96Å
460L30.8Very low32.1Very low185 Ų185131.8 Ų131.897%0.96975%0.752SS**  trans-86.699.9153.8-91.2163.7000106.8D462L460-D462 PolarHBondContact O-N 3.34Å
461A30.6Very low32.3Very low84 Ų84134 Ų13469%0.69476%0.755SS**  trans-63.8127.3-176.900000111.6E459 P463E459-A461 PolarHBondContact O-N 2.96Å; A461-P463 WeakPolarHBondContact O-CD 3.31Å
462D31.3Very low32.2Very low123 Ų123138.9 Ų138.966%0.65876%0.759SS**  trans-70.5120.4166.4-177.1-13.6000108.7L460 N464L460-D462 PolarHBondContact O-N 3.34Å; D462-N464 PolarHBondContact O-N 3.4Å; D462-N464 PolarHBondContact OD1-N 3.46Å
463P37.3Very low32.7Very low120 Ų120137.4 Ų137.478%0.77975%0.745SS**THydrogen-bonded Turntrans-64.2-7.5-173.5-24.234.8000116.4A461A461-P463 WeakPolarHBondContact O-CD 3.31Å
464N35.8Very low33.3Very low143 Ų143135.4 Ų135.477%0.76574%0.741SS**THydrogen-bonded Turntrans-122.432.6-166.1-69.3-60.2000115.6D462D462-N464 PolarHBondContact O-N 3.4Å; D462-N464 PolarHBondContact OD1-N 3.46Å
465R29Very low34.4Very low224 Ų224137.2 Ų137.285%0.84575%0.745SS**  trans-91.7125.5171.7-146.4176.1-160.9169.85.8111.4
466P34.5Very low35.6Very low93 Ų93133 Ų13360%0.60473%0.728SS**  trans-68.1155.5174.429.1-34.4000111.3D468P466-D468 PolarHBondContact O-N 3.31Å; P466-D468 VanDerWaalsContact O-N 3.13Å
467P38.9Very low37Very low128 Ų128132 Ų13283%0.83172%0.719SS**  trans-80.396.1-173.131.9-34.6000112
468D36Very low38.9Very low148 Ų148128.4 Ų128.479%0.79169%0.685SS**  trans-76.3151.2160.8-73.3-37.8000110.4P466P466-D468 PolarHBondContact O-N 3.31Å; P466-D468 VanDerWaalsContact O-N 3.13Å
469E31.4Very low41.1Very low174 Ų174127.1 Ų127.181%0.81367%0.673SS**  trans-61142.7-165.4-58.2178.4153.800114.9V471E469-V471 PolarHBondContact O-N 3.42Å
470P38.3Very low43.2Very low124 Ų124122.5 Ų122.581%0.80566%0.659SS**  trans-77.389.3176.432.7-34.2000111
471V33.9Very low45.4Very low98 Ų98116.5 Ų116.559%0.59463%0.626SS**  trans-112.960156.4-166.90000109E469 E473E469-V471 PolarHBondContact O-N 3.42Å; V471-E473 PolarHBondContact O-N 2.86Å
472E36.4Very low47.7Very low170 Ų170112.7 Ų112.779%0.79459%0.594SS**  trans-65.7100.6157-61.7-153.1158.100107.4D474E472-D474 VanDerWaalsContact C-N 3.32Å; E472-D474 PolarHBondContact O-N 3.49Å
473E38.3Very low50Low75 Ų75110.3 Ų110.335%0.3558%0.579SS.*  trans-69.798.2161.1-85.7177.5-133.700106.8V471 K475 S609 K611V471-E473 PolarHBondContact O-N 2.86Å; E473-K475 PolarHBondContact O-N 2.93Å; E473-S609 PolarHBondContact OE2-OG 3.38Å; E473-K611 VanDerWaalsContact OE1-CD 3.24Å; E473-K611 WeakPolarHBondContact OE1-CD 3.26Å; E473-K611 WeakPolarHBondContact OE1-CE 3.43Å; E473-K611 IonicContact OE1-NZ 2.77Å; E473-K611 PolarHBondContact OE1-NZ 3.04Å
474D40.3Very low52Low135 Ų135106 Ų10672%0.72255%0.549SS*.  trans-43.2111.7173.5-76.5-45.9000110.2E472 E476E472-D474 VanDerWaalsContact C-N 3.32Å; E472-D474 PolarHBondContact O-N 3.49Å; D474-E476 PolarHBondContact O-N 3.44Å
475K51.1Low54.3Low171 Ų17199.3 Ų99.374%0.74351%0.513SS*.  trans-69.1103.1164.5-70.9177.9-176.7169.80106.1E473 E477E473-K475 PolarHBondContact O-N 2.93Å; K475-E477 PolarHBondContact O-N 2.91Å
476E55.5Low57Low60 Ų6088.6 Ų88.628%0.2847%0.473SS..  trans-60.976.8175.4-69.3-173.7134.100111.1R166 D474 D478 R608R166-E476 IonicContact CZ-OE1 2.65Å; R166-E476 IonicContact CZ-OE2 3.41Å; R166-E476 IonicContact NE-OE1 3.44Å; R166-E476 PolarHBondContact NE-OE1 2.88Å; R166-E476 IonicContact NE-OE2 3.21Å; R166-E476 VanDerWaalsContact NH2-CD 3.29Å; R166-E476 IonicContact NH2-OE1 3.2Å; R166-E476 PolarHBondContact NH2-OE1 3.03Å; R166-E476 IonicContact NH2-OE2 3.52Å; R166-E476 PolarHBondContact NH2-OE2 3.16Å; D474-E476 PolarHBondContact O-N 3.44Å; E476-D478 PolarHBondContact O-N 3.45Å; E476-R608 PolarHBondContact O-NH1 3.44Å; E476-R608 PolarHBondContact O-NH2 3.07Å
477E62Low59.4Low129 Ų12986.4 Ų86.460%0.60345%0.454SS*.PPolyproline II helixtrans-64.7125.9171.6-69.6-173.5174.600108.4K455 K475 T479K455-E477 VanDerWaalsContact NZ-CD 3.28Å; K455-E477 IonicContact NZ-OE1 2.68Å; K455-E477 PolarHBondContact NZ-OE1 3.03Å; K455-E477 IonicContact NZ-OE2 2.89Å; K455-E477 PolarHBondContact NZ-OE2 2.92Å; K475-E477 PolarHBondContact O-N 2.91Å; E477-T479 PolarHBondContact O-N 3.3Å
478D67.1Low61.6Low27 Ų2782 Ų8214%0.14442%0.422CS..PPolyproline II helixtrans-60.6124.4178.1-79.411.3000108.5E476 S480 V482 H483 T566 S568E476-D478 PolarHBondContact O-N 3.45Å; D478-S480 PolarHBondContact O-N 3.44Å; D478-V482 HydrophobicContact CB-CB 4.4Å; D478-V482 HydrophobicContact CB-CG1 4.11Å; D478-H483 HydrophobicContact CB-CB 4.31Å; D478-T566 HydrophobicContact CB-CG2 4.38Å; D478-T566 VanDerWaalsContact CG-CB 3.45Å; D478-T566 WeakPolarHBondContact OD1-CB 3.29Å; D478-T566 PolarHBondContact OD1-OG1 3.26Å; D478-T566 WeakPolarHBondContact OD2-CB 3.49Å; D478-S568 VanDerWaalsContact CG-OG 3.24Å; D478-S568 PolarHBondContact OD1-OG 3.32Å; D478-S568 WeakPolarHBondContact OD2-CB 3.45Å; D478-S568 PolarHBondContact OD2-N 3.07Å; D478-S568 PolarHBondContact OD2-OG 3.36Å
479T75.6Confident64Low87 Ų8775 Ų7553%0.53439%0.385SS..PPolyproline II helixtrans-52.2142.4173.3-42.30000110.1E477 Q481 V482 H483E477-T479 PolarHBondContact O-N 3.3Å; T479-Q481 PolarHBondContact O-N 3.36Å; T479-V482 WeakPolarHBondContact O-CA 3.24Å; T479-V482 VanDerWaalsContact O-CB 3.32Å; T479-V482 WeakPolarHBondContact O-CB 3.24Å; T479-V482 PolarHBondContact O-N 3.26Å; T479-H483 PolarHBondContact O-N 2.91Å
480S72.6Confident66.8Low74 Ų7466.8 Ų66.852%0.51735%0.346SS..Hα-helixtrans-47.3-34.9-176.358.80000114.7D478 L484D478-S480 PolarHBondContact O-N 3.44Å; S480-L484 WeakPolarHBondContact O-CB 3.28Å; S480-L484 PolarHBondContact O-N 3.29Å
481Q76.8Confident69.3Low59 Ų5963.2 Ų63.228%0.27632%0.32SS..Hα-helixtrans-68.4-41.9175.4-50.3-169.211.900113.7V176 L246 T479 L485V176-Q481 HydrophobicContact CG2-CB 3.52Å; V176-Q481 HydrophobicContact CG2-CG 4.37Å; L246-Q481 HydrophobicContact CD1-CG 3.88Å; L246-Q481 HydrophobicContact CD2-CG 3.8Å; L246-Q481 HydrophobicContact CG-CG 4.34Å; T479-Q481 PolarHBondContact O-N 3.36Å; Q481-L485 PolarHBondContact O-N 3.47Å; Q481-L485 VanDerWaalsContact O-N 3.13Å
482V78.9Confident71.9Confident5 Ų560.4 Ų60.43%0.0330%0.302CS..Hα-helixtrans-67.5-46.5175.7174.20000109.5L170 P175 D478 T479 L484 L485 F486L170-V482 HydrophobicContact CD2-CG1 3.46Å; L170-V482 VanDerWaalsContact CD2-CG1 3.46Å; P175-V482 HydrophobicContact CB-CG2 3.71Å; P175-V482 HydrophobicContact CG-CG2 3.49Å; P175-V482 VanDerWaalsContact CG-CG2 3.49Å; D478-V482 HydrophobicContact CB-CB 4.4Å; D478-V482 HydrophobicContact CB-CG1 4.11Å; T479-V482 WeakPolarHBondContact O-CA 3.24Å; T479-V482 VanDerWaalsContact O-CB 3.32Å; T479-V482 WeakPolarHBondContact O-CB 3.24Å; T479-V482 PolarHBondContact O-N 3.26Å; V482-L484 VanDerWaalsContact C-N 3.32Å; V482-L484 PolarHBondContact O-N 2.88Å; V482-L485 WeakPolarHBondContact O-CB 3.45Å; V482-L485 PolarHBondContact O-N 2.85Å; V482-L485 VanDerWaalsContact O-N 3.12Å; V482-F486 HydrophobicContact CG1-CD2 3.63Å; V482-F486 HydrophobicContact CG1-CE2 3.88Å; V482-F486 WeakPolarHBondContact O-CD2 3.24Å; V482-F486 PolarHBondContact O-N 3.06Å
483H80.5Confident74.5Confident72 Ų7252.3 Ų52.333%0.33326%0.264SS..Hα-helixtrans-52.6-50.4175-171.9-82.5000111.1D478 T479 L485 F486 H487 P567D478-H483 HydrophobicContact CB-CB 4.31Å; T479-H483 PolarHBondContact O-N 2.91Å; H483-L485 PolarHBondContact O-N 2.94Å; H483-F486 PolarHBondContact O-N 3.4Å; H483-H487 VanDerWaalsContact O-CB 3.22Å; H483-H487 WeakPolarHBondContact O-CB 3.42Å; H483-H487 PolarHBondContact O-N 3.01Å; H483-P567 VanDerWaalsContact CD2-CD 3.44Å; H483-P567 WeakPolarHBondContact CD2-CD 3.39Å; H483-P567 VanDerWaalsContact CD2-CG 3.47Å; H483-P567 WeakPolarHBondContact CD2-CG 3.34Å; H483-P567 WeakPolarHBondContact NE2-CG 3.31Å
484L79Confident77.1Confident30 Ų3048.8 Ų48.816%0.15725%0.247CC..Hα-helixtrans-67.5-30.2179.5-173.961.2000113.8I242 R245 S480 V482 F488I242-L484 HydrophobicContact CB-CD2 4.19Å; I242-L484 HydrophobicContact CG1-CD2 3.79Å; I242-L484 HydrophobicContact CG1-CG 4.05Å; I242-L484 HydrophobicContact CG2-CD2 4.44Å; R245-L484 HydrophobicContact CB-CD2 3.8Å; R245-L484 HydrophobicContact CG-CD2 3.76Å; S480-L484 WeakPolarHBondContact O-CB 3.28Å; S480-L484 PolarHBondContact O-N 3.29Å; V482-L484 VanDerWaalsContact C-N 3.32Å; V482-L484 PolarHBondContact O-N 2.88Å; L484-F488 HydrophobicContact CD1-CE2 3.94Å; L484-F488 HydrophobicContact CG-CE2 4.39Å; L484-F488 WeakPolarHBondContact O-CD2 3.45Å
485L84.1Confident79.6Confident2 Ų242.9 Ų42.91%0.0122%0.217CC..Hα-helixtrans-67.8-53.7172.5175.178.4000110.9I169 L180 L183 M238 Q481 V482 H483 H487 F488I169-L485 HydrophobicContact CG2-CD2 4.49Å; L180-L485 HydrophobicContact CD2-CD1 4.17Å; L183-L485 HydrophobicContact CD1-CD1 4.04Å; L183-L485 HydrophobicContact CD2-CD1 4.18Å; L183-L485 HydrophobicContact CG-CD1 4.13Å; M238-L485 HydrophobicContact CE-CD1 3.87Å; Q481-L485 PolarHBondContact O-N 3.47Å; Q481-L485 VanDerWaalsContact O-N 3.13Å; V482-L485 WeakPolarHBondContact O-CB 3.45Å; V482-L485 PolarHBondContact O-N 2.85Å; V482-L485 VanDerWaalsContact O-N 3.12Å; H483-L485 PolarHBondContact O-N 2.94Å; L485-H487 VanDerWaalsContact C-N 3.31Å; L485-H487 PolarHBondContact O-N 3.29Å; L485-F488 PolarHBondContact O-N 3.05Å
486F86.1Confident81.5Confident0 Ų035 Ų350%018%0.183CC..Hα-helixtrans-71.4-25.3-176.5-79.8-78.9000112.9I165 I169 L170 V482 H483 F488 L489 Q490 P567 F571I165-F486 HydrophobicContact CG2-CE1 4.21Å; I165-F486 HydrophobicContact CG2-CE2 4.48Å; I165-F486 HydrophobicContact CG2-CZ 3.64Å; I169-F486 HydrophobicContact CD1-CZ 4.07Å; I169-F486 HydrophobicContact CG2-CE2 4.16Å; I169-F486 HydrophobicContact CG2-CZ 4.35Å; L170-F486 HydrophobicContact CD2-CE2 3.98Å; V482-F486 HydrophobicContact CG1-CD2 3.63Å; V482-F486 HydrophobicContact CG1-CE2 3.88Å; V482-F486 WeakPolarHBondContact O-CD2 3.24Å; V482-F486 PolarHBondContact O-N 3.06Å; H483-F486 PolarHBondContact O-N 3.4Å; F486-F488 VanDerWaalsContact C-N 3.3Å; F486-F488 PolarHBondContact O-N 3.35Å; F486-L489 HydrophobicContact CD1-CB 4.46Å; F486-L489 HydrophobicContact CD1-CD1 3.81Å; F486-L489 HydrophobicContact CE1-CD1 3.89Å; F486-L489 PolarHBondContact O-N 3.4Å; F486-L489 VanDerWaalsContact O-N 3.15Å; F486-Q490 WeakPolarHBondContact O-CB 3.36Å; F486-Q490 PolarHBondContact O-N 3.29Å; F486-P567 HydrophobicContact CB-CB 3.8Å; F486-F571 HydrophobicContact CD1-CB 4.03Å; F486-F571 AromaticContact CD1-CD1 3.79Å; F486-F571 HydrophobicContact CD1-CD1 3.79Å; F486-F571 AromaticContact CD1-CG 3.97Å; F486-F571 HydrophobicContact CD1-CG 3.97Å; F486-F571 AromaticContact CE1-CD1 3.61Å; F486-F571 HydrophobicContact CE1-CD1 3.61Å; F486-F571 HydrophobicContact CE1-CE1 4.01Å; F486-F571 HydrophobicContact CE1-CG 4.26Å
487H85.4Confident83.3Confident46 Ų4632.7 Ų32.721%0.21318%0.175CC..Hα-helixtrans-50.5-45.1168.9178-50.5000112.5V41 H483 L485 I491V41-H487 HydrophobicContact CG1-CB 4.43Å; V41-H487 WeakPolarHBondContact CG1-O 3.36Å; V41-H487 HydrophobicContact CG2-CB 4.19Å; V41-H487 PolarHBondContact O-CE1 2.98Å; H483-H487 VanDerWaalsContact O-CB 3.22Å; H483-H487 WeakPolarHBondContact O-CB 3.42Å; H483-H487 PolarHBondContact O-N 3.01Å; L485-H487 VanDerWaalsContact C-N 3.31Å; L485-H487 PolarHBondContact O-N 3.29Å; H487-I491 WeakPolarHBondContact O-CG1 3.15Å; H487-I491 PolarHBondContact O-N 3.21Å
488F83.8Confident84.7Confident36 Ų3626.6 Ų26.616%0.15815%0.146CC..Hα-helixtrans-73.7-36.9178.5-68.9-76.1000112.7W237 M238 K241 L484 L485 F486 L492W237-F488 AromaticContact CH2-CE1 3.97Å; W237-F488 HydrophobicContact CH2-CE1 3.97Å; W237-F488 HydrophobicContact CH2-CZ 4.32Å; W237-F488 HydrophobicContact CZ3-CD1 4.4Å; W237-F488 HydrophobicContact CZ3-CE1 4.14Å; W237-F488 HydrophobicContact CZ3-CZ 4.44Å; M238-F488 HydrophobicContact CE-CB 3.82Å; M238-F488 HydrophobicContact CE-CD2 3.68Å; M238-F488 HydrophobicContact CE-CG 4.03Å; M238-F488 HydrophobicContact SD-CB 4.26Å; M238-F488 HydrophobicContact SD-CG 4.48Å; K241-F488 HydrophobicContact CD-CE2 4.45Å; K241-F488 HydrophobicContact CD-CZ 3.9Å; L484-F488 HydrophobicContact CD1-CE2 3.94Å; L484-F488 HydrophobicContact CG-CE2 4.39Å; L484-F488 WeakPolarHBondContact O-CD2 3.45Å; L485-F488 PolarHBondContact O-N 3.05Å; F486-F488 VanDerWaalsContact C-N 3.3Å; F486-F488 PolarHBondContact O-N 3.35Å; F488-L492 PolarHBondContact O-N 3.07Å
489L86.9Confident85.9Confident2 Ų225.9 Ų25.91%0.0114%0.142CC..Hα-helixtrans-65.2-38.4176.1-83173.5000112.2L183 F186 Y187 F486 I491 L492 T493 F571L183-L489 HydrophobicContact CD2-CD1 3.75Å; L183-L489 HydrophobicContact CD2-CD2 3.61Å; L183-L489 HydrophobicContact CD2-CG 3.52Å; F186-L489 HydrophobicContact CB-CD2 4.13Å; F186-L489 HydrophobicContact CD2-CD1 4.11Å; F186-L489 HydrophobicContact CD2-CD2 4.34Å; F186-L489 HydrophobicContact CE2-CD1 4.48Å; Y187-L489 HydrophobicContact CD2-CD2 4.27Å; Y187-L489 HydrophobicContact CE2-CD2 3.97Å; F486-L489 HydrophobicContact CD1-CB 4.46Å; F486-L489 HydrophobicContact CD1-CD1 3.81Å; F486-L489 HydrophobicContact CE1-CD1 3.89Å; F486-L489 PolarHBondContact O-N 3.4Å; F486-L489 VanDerWaalsContact O-N 3.15Å; L489-I491 VanDerWaalsContact C-N 3.35Å; L489-I491 PolarHBondContact O-N 2.92Å; L489-L492 WeakPolarHBondContact O-CB 3.3Å; L489-L492 PolarHBondContact O-N 3.02Å; L489-L492 VanDerWaalsContact O-N 3.16Å; L489-T493 PolarHBondContact O-N 2.87Å; L489-T493 PolarHBondContact O-OG1 3.16Å; L489-F571 HydrophobicContact CB-CD2 3.58Å; L489-F571 HydrophobicContact CB-CE2 3.81Å; L489-F571 HydrophobicContact CB-CG 4.21Å; L489-F571 HydrophobicContact CD1-CD2 4.48Å; L489-F571 HydrophobicContact CD1-CE1 4.48Å; L489-F571 HydrophobicContact CD1-CE2 4.21Å; L489-F571 HydrophobicContact CD1-CZ 4.21Å; L489-F571 HydrophobicContact CD2-CE2 3.85Å; L489-F571 HydrophobicContact CD2-CZ 4.28Å; L489-F571 HydrophobicContact CG-CD2 4.42Å; L489-F571 HydrophobicContact CG-CE2 4.19Å
490Q90Very high86.7Confident0 Ų021.9 Ų21.90%012%0.117CC..Hα-helixtrans-67.9-34.9-179-166.5177.33.600112.1T35 A36 S39 V41 F486 L492 T493 A494 F571 E574T35-Q490 PolarHBondContact O-NE2 3.25Å; A36-Q490 HydrophobicContact CB-CG 4.3Å; S39-Q490 PolarHBondContact OG-NE2 3.5Å; S39-Q490 PolarHBondContact OG-OE1 3.41Å; S39-Q490 VanDerWaalsContact OG-OE1 3.06Å; V41-Q490 HydrophobicContact CG1-CB 4.38Å; F486-Q490 WeakPolarHBondContact O-CB 3.36Å; F486-Q490 PolarHBondContact O-N 3.29Å; Q490-L492 VanDerWaalsContact C-N 3.29Å; Q490-L492 PolarHBondContact O-N 3.41Å; Q490-T493 WeakPolarHBondContact CA-OG1 3.45Å; Q490-T493 PolarHBondContact O-N 3Å; Q490-T493 PolarHBondContact O-OG1 3.22Å; Q490-A494 WeakPolarHBondContact O-CB 3.35Å; Q490-A494 PolarHBondContact O-N 2.95Å; Q490-F571 HydrophobicContact CB-CB 4.49Å; Q490-E574 WeakPolarHBondContact CG-OE1 3.35Å; Q490-E574 VanDerWaalsContact CG-OE2 3.3Å; Q490-E574 WeakPolarHBondContact CG-OE2 3.33Å; Q490-E574 PolarHBondContact NE2-OE1 2.94Å; Q490-E574 VanDerWaalsContact O-OE2 3.06Å
491I90.1Very high87.6Confident49 Ų4918.4 Ų18.425%0.2519%0.093SC..Hα-helixtrans-59.6-43.1171.8-61.6172.7000110.6V41 V42 L50 H487 L489 C495V41-I491 HydrophobicContact CG1-CD1 4.1Å; V41-I491 HydrophobicContact CG1-CG1 3.58Å; V42-I491 HydrophobicContact CG2-CD1 4.42Å; V42-I491 HydrophobicContact CG2-CG1 3.76Å; L50-I491 HydrophobicContact CD1-CG2 4.24Å; H487-I491 WeakPolarHBondContact O-CG1 3.15Å; H487-I491 PolarHBondContact O-N 3.21Å; L489-I491 VanDerWaalsContact C-N 3.35Å; L489-I491 PolarHBondContact O-N 2.92Å; I491-C495 PolarHBondContact O-N 3.36Å; I491-C495 VanDerWaalsContact O-N 3.14Å; I491-C495 PolarHBondContact O-SG 2.94Å
492L89.8Confident88.3Confident40 Ų4015.6 Ų15.621%0.2098%0.08CC..Hα-helixtrans-62.6-45.2176.6-177.877.1000111.4Y187 F488 L489 Q490 C495 F496Y187-L492 HydrophobicContact CD1-CD1 4.28Å; Y187-L492 HydrophobicContact CD1-CD2 3.78Å; Y187-L492 HydrophobicContact CD2-CD2 3.87Å; Y187-L492 HydrophobicContact CE1-CD1 3.83Å; Y187-L492 HydrophobicContact CE1-CD2 3.72Å; Y187-L492 HydrophobicContact CE1-CG 4.3Å; Y187-L492 HydrophobicContact CE2-CD2 3.82Å; Y187-L492 HydrophobicContact CG-CD2 3.86Å; F488-L492 PolarHBondContact O-N 3.07Å; L489-L492 WeakPolarHBondContact O-CB 3.3Å; L489-L492 PolarHBondContact O-N 3.02Å; L489-L492 VanDerWaalsContact O-N 3.16Å; Q490-L492 VanDerWaalsContact C-N 3.29Å; Q490-L492 PolarHBondContact O-N 3.41Å; L492-C495 WeakPolarHBondContact O-CB 3.29Å; L492-C495 PolarHBondContact O-N 2.87Å; L492-F496 PolarHBondContact O-N 3.4Å
493T91.4Very high88.7Confident0 Ų015.4 Ų15.40%08%0.078CC..Hα-helixtrans-73.4-30.7-177.350.40000113.5L489 Q490 F496 G497 F571 E574 L575L489-T493 PolarHBondContact O-N 2.87Å; L489-T493 PolarHBondContact O-OG1 3.16Å; Q490-T493 WeakPolarHBondContact CA-OG1 3.45Å; Q490-T493 PolarHBondContact O-N 3Å; Q490-T493 PolarHBondContact O-OG1 3.22Å; T493-F496 PolarHBondContact O-N 3.33Å; T493-G497 PolarHBondContact O-N 3.43Å; T493-F571 HydrophobicContact CG2-CD2 3.31Å; T493-F571 HydrophobicContact CG2-CE2 3.37Å; T493-F571 HydrophobicContact CG2-CG 4.43Å; T493-E574 WeakPolarHBondContact CB-OE2 3.35Å; T493-E574 PolarHBondContact OG1-OE2 3.38Å; T493-L575 HydrophobicContact CG2-CB 3.82Å; T493-L575 HydrophobicContact CG2-CD1 4.22Å; T493-L575 HydrophobicContact CG2-CG 4.42Å
494A91.4Very high89.2Confident0 Ų012 Ų120%06%0.063CC..Hα-helixtrans-65.8-40.2170.900000111.1F33 A36 Q490 G497 S498 E574F33-A494 HydrophobicContact CD1-CB 3.75Å; F33-A494 HydrophobicContact CE1-CB 3.58Å; F33-A494 HydrophobicContact CG-CB 4.39Å; F33-A494 HydrophobicContact CZ-CB 4.09Å; A36-A494 HydrophobicContact CB-CB 3.91Å; Q490-A494 WeakPolarHBondContact O-CB 3.35Å; Q490-A494 PolarHBondContact O-N 2.95Å; A494-G497 PolarHBondContact O-N 3.4Å; A494-S498 WeakPolarHBondContact O-CB 3.37Å; A494-S498 PolarHBondContact O-N 3.1Å; A494-E574 PolarHBondContact N-OE2 3.48Å
495C92.8Very high89.8Confident12 Ų1210.5 Ų10.58%0.0816%0.055CC..Hα-helixtrans-63.7-40.8172-64.90000112.2F54 I491 L492 S498 F499F54-C495 HydrophobicContact CD1-CB 4.35Å; F54-C495 HydrophobicContact CD2-CB 3.56Å; F54-C495 HydrophobicContact CE1-CB 4.27Å; F54-C495 HydrophobicContact CE2-CB 3.49Å; F54-C495 VanDerWaalsContact CE2-CB 3.49Å; F54-C495 WeakPolarHBondContact CE2-SG 3.43Å; F54-C495 HydrophobicContact CG-CB 4.02Å; F54-C495 HydrophobicContact CZ-CB 3.86Å; I491-C495 PolarHBondContact O-N 3.36Å; I491-C495 VanDerWaalsContact O-N 3.14Å; I491-C495 PolarHBondContact O-SG 2.94Å; L492-C495 WeakPolarHBondContact O-CB 3.29Å; L492-C495 PolarHBondContact O-N 2.87Å; C495-S498 WeakPolarHBondContact O-CB 3.33Å; C495-S498 PolarHBondContact O-N 3.49Å; C495-F499 PolarHBondContact O-N 2.9Å
496F92.6Very high90.2Very high6 Ų610.4 Ų10.43%0.0266%0.055CC..Hα-helixtrans-67.4-42.9175.3174.3-135.8000112.5T190 I193 N194 L492 T493 S498 F499 A500 L575 A578 V582T190-F496 HydrophobicContact CG2-CB 3.93Å; T190-F496 HydrophobicContact CG2-CD1 3.96Å; T190-F496 HydrophobicContact CG2-CD2 4.28Å; T190-F496 HydrophobicContact CG2-CG 3.78Å; I193-F496 HydrophobicContact CG2-CE2 4.3Å; I193-F496 HydrophobicContact CG2-CZ 3.83Å; N194-F496 WeakPolarHBondContact ND2-CD2 3.16Å; N194-F496 WeakPolarHBondContact ND2-CE2 3.48Å; N194-F496 WeakPolarHBondContact OD1-CD2 3.44Å; N194-F496 WeakPolarHBondContact OD1-CE2 3.49Å; L492-F496 PolarHBondContact O-N 3.4Å; T493-F496 PolarHBondContact O-N 3.33Å; F496-S498 VanDerWaalsContact C-N 3.31Å; F496-S498 PolarHBondContact O-N 2.88Å; F496-F499 PolarHBondContact O-N 3.25Å; F496-A500 WeakPolarHBondContact O-CB 3.34Å; F496-A500 PolarHBondContact O-N 3.07Å; F496-L575 HydrophobicContact CD1-CD1 3.82Å; F496-L575 HydrophobicContact CE1-CD1 3.87Å; F496-A578 HydrophobicContact CD1-CB 3.46Å; F496-A578 VanDerWaalsContact CD1-CB 3.46Å; F496-A578 HydrophobicContact CD2-CB 4.5Å; F496-A578 HydrophobicContact CE1-CB 3.39Å; F496-A578 HydrophobicContact CE2-CB 4.45Å; F496-A578 HydrophobicContact CG-CB 4.03Å; F496-A578 HydrophobicContact CZ-CB 3.93Å; F496-V582 HydrophobicContact CE2-CG2 3.87Å; F496-V582 HydrophobicContact CZ-CG2 4.09Å
497G92Very high90.3Very high11 Ų1110.5 Ų10.511%0.1136%0.055CC..Hα-helixtrans-60.6-40.9174.400000112.2T493 A494 A500 H501T493-G497 PolarHBondContact O-N 3.43Å; A494-G497 PolarHBondContact O-N 3.4Å; G497-A500 PolarHBondContact O-N 3.45Å; G497-H501 WeakPolarHBondContact O-CB 3.35Å; G497-H501 PolarHBondContact O-N 3.47Å
498S92.4Very high90.6Very high0 Ų08.3 Ų8.30%05%0.045CC..Hα-helixtrans-62.9-42.7172.7176.70000113.1S32 A51 F54 E55 A494 C495 F496 H501 G502S32-S498 WeakPolarHBondContact OG-CA 3.35Å; A51-S498 WeakPolarHBondContact CA-OG 3.24Å; F54-S498 WeakPolarHBondContact CB-OG 3.32Å; E55-S498 WeakPolarHBondContact CG-O 3.13Å; E55-S498 WeakPolarHBondContact CG-OG 3.44Å; A494-S498 WeakPolarHBondContact O-CB 3.37Å; A494-S498 PolarHBondContact O-N 3.1Å; C495-S498 WeakPolarHBondContact O-CB 3.33Å; C495-S498 PolarHBondContact O-N 3.49Å; F496-S498 VanDerWaalsContact C-N 3.31Å; F496-S498 PolarHBondContact O-N 2.88Å; S498-H501 PolarHBondContact O-N 2.87Å; S498-G502 PolarHBondContact O-N 3.43Å
499F92.7Very high90.9Very high13 Ų136.6 Ų6.66%0.0574%0.037CC..Hα-helixtrans-63.1-45.2173.5176.3-96.7000112.4F54 T57 G58 L61 L62 N194 I198 C495 F496 G503F54-F499 HydrophobicContact CB-CB 4.31Å; F54-F499 HydrophobicContact CD1-CB 4.32Å; F54-F499 WeakPolarHBondContact O-CA 3.48Å; T57-F499 HydrophobicContact CG2-CD2 4.35Å; T57-F499 HydrophobicContact CG2-CE2 4.11Å; G58-F499 WeakPolarHBondContact CA-O 3.45Å; L61-F499 HydrophobicContact CB-CE2 4.47Å; L61-F499 HydrophobicContact CB-CZ 4.46Å; L61-F499 HydrophobicContact CD1-CE2 4.23Å; L62-F499 HydrophobicContact CD1-CD1 4.3Å; L62-F499 HydrophobicContact CD1-CE1 3.5Å; L62-F499 HydrophobicContact CD1-CZ 3.85Å; L62-F499 HydrophobicContact CG-CE1 4.19Å; L62-F499 HydrophobicContact CG-CZ 4.02Å; N194-F499 WeakPolarHBondContact OD1-CD1 3.48Å; N194-F499 WeakPolarHBondContact OD1-CE1 3.36Å; I198-F499 HydrophobicContact CD1-CE2 4.48Å; I198-F499 HydrophobicContact CD1-CZ 3.8Å; I198-F499 HydrophobicContact CG1-CE1 4.49Å; I198-F499 HydrophobicContact CG1-CZ 3.79Å; C495-F499 PolarHBondContact O-N 2.9Å; F496-F499 PolarHBondContact O-N 3.25Å; F499-G503 PolarHBondContact O-N 3.42Å; F499-G503 VanDerWaalsContact O-N 3.15Å
500A91.8Very high91.2Very high2 Ų26.6 Ų6.62%0.0174%0.037CC..Hα-helixtrans-61.2-43.7175.300000112.1F496 G497 G503 N504 A578 V581 V582F496-A500 WeakPolarHBondContact O-CB 3.34Å; F496-A500 PolarHBondContact O-N 3.07Å; G497-A500 PolarHBondContact O-N 3.45Å; A500-G503 PolarHBondContact O-N 3.11Å; A500-N504 PolarHBondContact O-N 3.13Å; A500-A578 HydrophobicContact CB-CB 4.16Å; A500-V581 HydrophobicContact CB-CB 4.3Å; A500-V581 HydrophobicContact CB-CG1 4.05Å; A500-V582 HydrophobicContact CB-CG2 3.58Å
501H90.9Very high91.3Very high2 Ų26.6 Ų6.61%0.0094%0.037CC..Hα-helixtrans-60-54.2177170.2-94.1000111.6S32 E55 G497 S498 G503 N504 D505S32-H501 WeakPolarHBondContact OG-CB 3.46Å; E55-H501 VanDerWaalsContact CD-ND1 3.28Å; E55-H501 WeakPolarHBondContact CG-CE1 3.43Å; E55-H501 IonicContact OE1-CE1 2.84Å; E55-H501 PolarHBondContact OE1-CE1 3.48Å; E55-H501 IonicContact OE1-ND1 3.94Å; E55-H501 PolarHBondContact OE1-ND1 3.36Å; E55-H501 IonicContact OE1-NE2 2.79Å; E55-H501 IonicContact OE2-CE1 2.56Å; E55-H501 PolarHBondContact OE2-CE1 3.27Å; E55-H501 IonicContact OE2-ND1 3.25Å; E55-H501 PolarHBondContact OE2-ND1 2.79Å; E55-H501 IonicContact OE2-NE2 2.62Å; E55-H501 PolarHBondContact OE2-NE2 2.88Å; G497-H501 WeakPolarHBondContact O-CB 3.35Å; G497-H501 PolarHBondContact O-N 3.47Å; S498-H501 PolarHBondContact O-N 2.87Å; H501-G503 PolarHBondContact O-N 3Å; H501-N504 PolarHBondContact O-N 3.25Å; H501-N504 VanDerWaalsContact O-N 3.14Å; H501-D505 IonicContact CD2-OD2 2.99Å; H501-D505 PolarHBondContact CD2-OD2 3.27Å; H501-D505 WeakPolarHBondContact O-CB 3.33Å; H501-D505 PolarHBondContact O-N 3.1Å
502G90.9Very high91.5Very high0 Ų04.3 Ų4.30%03%0.025CC..Hα-helixtrans-57.9-36.917900000113S59 S498 V506S59-G502 VanDerWaalsContact CA-O 3.28Å; S59-G502 WeakPolarHBondContact CA-O 3.18Å; S498-G502 PolarHBondContact O-N 3.43Å; G502-V506 WeakPolarHBondContact O-CB 3.38Å; G502-V506 VanDerWaalsContact O-CG1 3.23Å; G502-V506 WeakPolarHBondContact O-CG1 3.35Å; G502-V506 PolarHBondContact O-N 2.93Å
503G88.6Confident91.8Very high0 Ų02.4 Ų2.40%02%0.016CC..Hα-helixtrans-67.4-40.3175.500000114.5G58 G63 F499 A500 H501G58-G503 VanDerWaalsContact O-CA 3.31Å; G58-G503 WeakPolarHBondContact O-CA 3.37Å; G63-G503 VanDerWaalsContact CA-O 3.27Å; G63-G503 WeakPolarHBondContact CA-O 3.28Å; F499-G503 PolarHBondContact O-N 3.42Å; F499-G503 VanDerWaalsContact O-N 3.15Å; A500-G503 PolarHBondContact O-N 3.11Å; H501-G503 PolarHBondContact O-N 3Å
504N91.2Very high91.9Very high0 Ų02.4 Ų2.40%02%0.016CC..Hα-helixtrans-77.3-52.5177.9-167.574.8000111.3A500 H501 S507 V581 S585 V591 T593A500-N504 PolarHBondContact O-N 3.13Å; H501-N504 PolarHBondContact O-N 3.25Å; H501-N504 VanDerWaalsContact O-N 3.14Å; N504-S507 WeakPolarHBondContact O-CB 3.5Å; N504-S507 PolarHBondContact O-N 3.02Å; N504-S507 PolarHBondContact O-OG 3.5Å; N504-V581 HydrophobicContact CB-CG1 3.77Å; N504-S585 PolarHBondContact OD1-OG 3.47Å; N504-V591 PolarHBondContact ND2-O 3.47Å; N504-T593 HydrophobicContact CB-CG2 4.29Å
505D90.1Very high91.9Very high0 Ų02.4 Ų2.40%02%0.016CC..Hα-helixtrans-88.3-15.9-160.3-65.8-18.6000114V24 H501 S507 N508 T593V24-D505 HydrophobicContact CG1-CB 3.83Å; H501-D505 IonicContact CD2-OD2 2.99Å; H501-D505 PolarHBondContact CD2-OD2 3.27Å; H501-D505 WeakPolarHBondContact O-CB 3.33Å; H501-D505 PolarHBondContact O-N 3.1Å; D505-S507 PolarHBondContact O-N 3.26Å; D505-N508 WeakPolarHBondContact O-CB 3.4Å; D505-N508 PolarHBondContact O-N 3.27Å; D505-N508 VanDerWaalsContact O-N 3.15Å; D505-N508 PolarHBondContact OD1-ND2 2.75Å; D505-T593 WeakPolarHBondContact OD2-CB 3.15Å; D505-T593 WeakPolarHBondContact OD2-CG2 3.43Å; D505-T593 PolarHBondContact OD2-OG1 3.26Å
506V92.3Very high92Very high0 Ų01.9 Ų1.90%01%0.012CC..Hα-helixtrans-58-33.5165.872.40000111.8S59 G502 N508 A509 I510 L536 I543S59-V506 WeakPolarHBondContact OG-CG2 3.32Å; G502-V506 WeakPolarHBondContact O-CB 3.38Å; G502-V506 VanDerWaalsContact O-CG1 3.23Å; G502-V506 WeakPolarHBondContact O-CG1 3.35Å; G502-V506 PolarHBondContact O-N 2.93Å; V506-N508 PolarHBondContact O-N 3.35Å; V506-A509 PolarHBondContact O-N 3.06Å; V506-A509 VanDerWaalsContact O-N 3.08Å; V506-I510 HydrophobicContact CG2-CB 4.16Å; V506-I510 HydrophobicContact CG2-CG1 3.6Å; V506-I510 WeakPolarHBondContact O-CB 3.24Å; V506-I510 PolarHBondContact O-N 2.87Å; V506-L536 HydrophobicContact CG1-CD2 4.2Å; V506-I543 HydrophobicContact CB-CD1 4.02Å; V506-I543 HydrophobicContact CG2-CD1 4.3Å
507S90.1Very high92Very high1 Ų14.8 Ų4.81%0.0072%0.023CC..Hα-helixtrans-62.2-29.6-179-52.80000112G63 V66 G67 I70 N504 D505 A509 G511G63-S507 PolarHBondContact O-OG 2.88Å; G63-S507 VanDerWaalsContact O-OG 3.12Å; V66-S507 WeakPolarHBondContact CB-OG 3.4Å; G67-S507 PolarHBondContact N-OG 3.33Å; I70-S507 WeakPolarHBondContact CD1-O 3.37Å; N504-S507 WeakPolarHBondContact O-CB 3.5Å; N504-S507 PolarHBondContact O-N 3.02Å; N504-S507 PolarHBondContact O-OG 3.5Å; D505-S507 PolarHBondContact O-N 3.26Å; S507-A509 VanDerWaalsContact C-N 3.28Å; S507-A509 PolarHBondContact O-N 2.95Å; S507-G511 WeakPolarHBondContact O-CA 3.39Å; S507-G511 PolarHBondContact O-N 3.17Å
508N91.8Very high91.9Very high0 Ų04.5 Ų4.50%02%0.019CC..Hα-helixtrans-67.7-29178.3-61.4-33.7000112.5I70 T115 I118 D505 V506I70-N508 WeakPolarHBondContact CD1-OD1 3.43Å; T115-N508 WeakPolarHBondContact CA-OD1 3.46Å; T115-N508 PolarHBondContact N-ND2 2.82Å; T115-N508 PolarHBondContact OG1-ND2 3.36Å; T115-N508 VanDerWaalsContact OG1-ND2 3.1Å; I118-N508 HydrophobicContact CG2-CB 4.04Å; D505-N508 WeakPolarHBondContact O-CB 3.4Å; D505-N508 PolarHBondContact O-N 3.27Å; D505-N508 VanDerWaalsContact O-N 3.15Å; D505-N508 PolarHBondContact OD1-ND2 2.75Å; V506-N508 PolarHBondContact O-N 3.35Å
509A90.3Very high91.9Very high0 Ų04.5 Ų4.50%02%0.019CC..Hα-helixtrans-95.6-40.9177.100000113L20 A21 V506 S507L20-A509 HydrophobicContact CB-CB 4.23Å; L20-A509 HydrophobicContact CD2-CB 4.31Å; L20-A509 HydrophobicContact CG-CB 3.83Å; A21-A509 HydrophobicContact CB-CB 3.84Å; V506-A509 PolarHBondContact O-N 3.06Å; V506-A509 VanDerWaalsContact O-N 3.08Å; S507-A509 VanDerWaalsContact C-N 3.28Å; S507-A509 PolarHBondContact O-N 2.95Å
510I92.6Very high91.8Very high3 Ų36.2 Ų6.22%0.0153%0.025CC..Hα-helixtrans-96.8-20.1-169.5-60.8-58.4000113V506 L513 V514 L535 L536 Y538V506-I510 HydrophobicContact CG2-CB 4.16Å; V506-I510 HydrophobicContact CG2-CG1 3.6Å; V506-I510 WeakPolarHBondContact O-CB 3.24Å; V506-I510 PolarHBondContact O-N 2.87Å; I510-L513 HydrophobicContact CD1-CD2 3.76Å; I510-L513 PolarHBondContact O-N 3.47Å; I510-V514 HydrophobicContact CG2-CG2 3.52Å; I510-V514 WeakPolarHBondContact O-CG2 3.11Å; I510-V514 PolarHBondContact O-N 3.2Å; I510-L535 HydrophobicContact CG2-CB 4Å; I510-L535 WeakPolarHBondContact CG2-O 3.42Å; I510-L536 HydrophobicContact CG2-CD2 4.28Å; I510-Y538 HydrophobicContact CD1-CD1 4Å
511G92.3Very high91.6Very high0 Ų011.2 Ų11.20%05%0.051CC..Hα-helixtrans-51.5-55.7174.500000113S507 V514 A515S507-G511 WeakPolarHBondContact O-CA 3.39Å; S507-G511 PolarHBondContact O-N 3.17Å; G511-V514 PolarHBondContact O-N 3.05Å; G511-A515 PolarHBondContact O-N 3.42Å; G511-A515 VanDerWaalsContact O-N 3.07Å
512P94.4Very high91.4Very high0 Ų015.4 Ų15.40%07%0.071CC..Hα-helixtrans-66-37.1175.4-21.432.9000113.8E91 M95 I118 V514 A515 L516E91-P512 HydrophobicContact CB-CB 4.38Å; E91-P512 WeakPolarHBondContact OE2-CA 3.34Å; E91-P512 WeakPolarHBondContact OE2-CB 3.26Å; M95-P512 HydrophobicContact CG-CB 3.55Å; M95-P512 HydrophobicContact CG-CG 4.02Å; M95-P512 HydrophobicContact SD-CB 3.94Å; I118-P512 HydrophobicContact CD1-CG 3.56Å; I118-P512 HydrophobicContact CG1-CG 3.98Å; P512-V514 VanDerWaalsContact C-N 3.34Å; P512-V514 PolarHBondContact O-N 3.44Å; P512-A515 WeakPolarHBondContact O-CB 3.49Å; P512-A515 PolarHBondContact O-N 3.06Å; P512-L516 WeakPolarHBondContact O-CB 3.45Å; P512-L516 PolarHBondContact O-N 3.13Å
513L95.1Very high91Very high1 Ų117.4 Ų17.41%0.0059%0.092CC..Hα-helixtrans-62.5-41.8177.2179.865.5000111.6F14 A17 M95 I510 L516 W517 L535 Y538F14-L513 HydrophobicContact CD1-CD1 4.03Å; F14-L513 HydrophobicContact CD1-CD2 3.86Å; F14-L513 HydrophobicContact CD1-CG 4.47Å; F14-L513 HydrophobicContact CD2-CD1 4.19Å; F14-L513 HydrophobicContact CE1-CD1 4.17Å; F14-L513 HydrophobicContact CE1-CD2 3.81Å; F14-L513 HydrophobicContact CE1-CG 4.31Å; F14-L513 HydrophobicContact CE2-CD1 4.3Å; F14-L513 HydrophobicContact CG-CD1 4.01Å; F14-L513 HydrophobicContact CZ-CD1 4.26Å; A17-L513 HydrophobicContact CB-CB 3.88Å; A17-L513 HydrophobicContact CB-CD1 4.02Å; A17-L513 HydrophobicContact CB-CD2 3.68Å; A17-L513 HydrophobicContact CB-CG 4.06Å; M95-L513 HydrophobicContact SD-CB 4.05Å; I510-L513 HydrophobicContact CD1-CD2 3.76Å; I510-L513 PolarHBondContact O-N 3.47Å; L513-L516 PolarHBondContact O-N 3.4Å; L513-W517 WeakPolarHBondContact O-CB 3.36Å; L513-W517 PolarHBondContact O-N 3.13Å; L513-L535 HydrophobicContact CD2-CD2 3.78Å; L513-L535 HydrophobicContact CG-CD2 4.25Å; L513-Y538 HydrophobicContact CD2-CD1 3.96Å; L513-Y538 HydrophobicContact CD2-CE1 3.97Å
514V93.1Very high90.7Very high0 Ų018.6 Ų18.60%010%0.104CC..Hα-helixtrans-70.5-36.1177-179.30000110.5R71 I510 G511 P512 W517 L518 T531 L535R71-V514 VanDerWaalsContact NH2-CG1 3.33Å; I510-V514 HydrophobicContact CG2-CG2 3.52Å; I510-V514 WeakPolarHBondContact O-CG2 3.11Å; I510-V514 PolarHBondContact O-N 3.2Å; G511-V514 PolarHBondContact O-N 3.05Å; P512-V514 VanDerWaalsContact C-N 3.34Å; P512-V514 PolarHBondContact O-N 3.44Å; V514-W517 PolarHBondContact O-N 3.41Å; V514-L518 HydrophobicContact CG1-CD1 3.85Å; V514-L518 HydrophobicContact CG1-CG 4.01Å; V514-L518 WeakPolarHBondContact O-CB 3.38Å; V514-L518 VanDerWaalsContact O-CG 3.26Å; V514-L518 WeakPolarHBondContact O-CG 3.24Å; V514-L518 PolarHBondContact O-N 3.47Å; V514-T531 HydrophobicContact CG1-CG2 4.23Å; V514-T531 HydrophobicContact CG2-CG2 3.82Å; V514-L535 HydrophobicContact CB-CD1 4.29Å; V514-L535 HydrophobicContact CG1-CD1 4.4Å; V514-L535 HydrophobicContact CG2-CB 3.92Å; V514-L535 HydrophobicContact CG2-CD1 3.62Å; V514-L535 HydrophobicContact CG2-CG 4.36Å
515A92.9Very high90.2Very high0 Ų018.8 Ų18.80%011%0.105CC..Hα-helixtrans-56.6-53.5171.800000110.8R71 E91 G511 P512 W517 L518 I519R71-A515 HydrophobicContact CB-CB 3.84Å; E91-A515 HydrophobicContact CG-CB 3.93Å; E91-A515 WeakPolarHBondContact OE1-CB 3.35Å; G511-A515 PolarHBondContact O-N 3.42Å; G511-A515 VanDerWaalsContact O-N 3.07Å; P512-A515 WeakPolarHBondContact O-CB 3.49Å; P512-A515 PolarHBondContact O-N 3.06Å; A515-W517 PolarHBondContact O-N 2.98Å; A515-L518 PolarHBondContact O-N 3.01Å; A515-I519 WeakPolarHBondContact O-CB 3.4Å; A515-I519 WeakPolarHBondContact O-CD1 3.43Å; A515-I519 WeakPolarHBondContact O-CG1 3.26Å; A515-I519 PolarHBondContact O-N 3.36Å
516L93.9Very high89.7Confident0 Ų022.2 Ų22.20%012%0.122CC..Hα-helixtrans-57.2-44.8176.3-179.964.5000112.8V10 M88 E91 V92 M95 P512 L513 Y520V10-L516 HydrophobicContact CG2-CG 4.46Å; M88-L516 HydrophobicContact CB-CD1 3.58Å; M88-L516 HydrophobicContact CE-CD1 3.63Å; M88-L516 HydrophobicContact CG-CD1 3.85Å; E91-L516 HydrophobicContact CB-CB 4.14Å; V92-L516 HydrophobicContact CG2-CD1 4.39Å; V92-L516 HydrophobicContact CG2-CD2 3.78Å; M95-L516 HydrophobicContact CE-CD2 3.96Å; P512-L516 WeakPolarHBondContact O-CB 3.45Å; P512-L516 PolarHBondContact O-N 3.13Å; L513-L516 PolarHBondContact O-N 3.4Å; L516-Y520 WeakPolarHBondContact O-CB 3.47Å; L516-Y520 PolarHBondContact O-N 3.14Å; L516-Y520 VanDerWaalsContact O-N 3.1Å
517W93Very high89Confident67 Ų6722.3 Ų22.325%0.25412%0.122SC..Hα-helixtrans-63.2-48.3177.3175.8-92.4000112.2V10 F14 L513 V514 A515 Y520 D521 W534 L535V10-W517 HydrophobicContact CG1-CE3 4.16Å; V10-W517 HydrophobicContact CG1-CZ3 4.49Å; F14-W517 AromaticContact CE2-CE3 3.77Å; F14-W517 HydrophobicContact CE2-CE3 3.77Å; F14-W517 HydrophobicContact CE2-CZ3 4.12Å; F14-W517 AromaticContact CZ-CE3 3.81Å; F14-W517 HydrophobicContact CZ-CE3 3.81Å; F14-W517 HydrophobicContact CZ-CZ3 4.25Å; L513-W517 WeakPolarHBondContact O-CB 3.36Å; L513-W517 PolarHBondContact O-N 3.13Å; V514-W517 PolarHBondContact O-N 3.41Å; A515-W517 PolarHBondContact O-N 2.98Å; W517-Y520 PolarHBondContact O-N 3.19Å; W517-D521 WeakPolarHBondContact O-CB 3.4Å; W517-D521 PolarHBondContact O-N 3.29Å; W517-W534 HydrophobicContact CD2-CZ2 4.36Å; W517-W534 HydrophobicContact CH2-CZ2 4.35Å; W517-W534 HydrophobicContact CZ2-CZ2 4.11Å; W517-L535 HydrophobicContact CB-CD1 4.22Å; W517-L535 HydrophobicContact CG-CD1 4.08Å
518L90.5Very high88.2Confident5 Ų529.7 Ų29.73%0.02616%0.157CC..Hα-helixtrans-66.2-38.8-179.6-70.1179.5000111.9V514 A515 Y520 Q522 Q527 A529V514-L518 HydrophobicContact CG1-CD1 3.85Å; V514-L518 HydrophobicContact CG1-CG 4.01Å; V514-L518 WeakPolarHBondContact O-CB 3.38Å; V514-L518 VanDerWaalsContact O-CG 3.26Å; V514-L518 WeakPolarHBondContact O-CG 3.24Å; V514-L518 PolarHBondContact O-N 3.47Å; A515-L518 PolarHBondContact O-N 3.01Å; L518-Y520 VanDerWaalsContact C-N 3.33Å; L518-Y520 PolarHBondContact O-N 3.24Å; L518-Q522 VanDerWaalsContact O-CB 3.24Å; L518-Q522 WeakPolarHBondContact O-CB 3.36Å; L518-Q522 WeakPolarHBondContact O-CG 3.26Å; L518-Q522 PolarHBondContact O-N 2.63Å; L518-Q527 HydrophobicContact CD1-CB 4.32Å; L518-A529 HydrophobicContact CD1-CB 4.3Å; L518-A529 HydrophobicContact CD2-CB 3.8Å
519I91.2Very high87.5Confident0 Ų031.3 Ų31.30%017%0.17CC..Hα-helixtrans-61.3-43.1174.8-68.1161.3000110.9M3 V84 L87 M88 A515 G523 G524 Q527M3-I519 HydrophobicContact CE-CG2 4.4Å; V84-I519 HydrophobicContact CG1-CG2 3.3Å; L87-I519 HydrophobicContact CB-CD1 4.47Å; L87-I519 HydrophobicContact CD2-CD1 3.6Å; L87-I519 HydrophobicContact CD2-CG1 4.48Å; L87-I519 HydrophobicContact CG-CD1 3.75Å; M88-I519 HydrophobicContact CG-CB 4.3Å; M88-I519 HydrophobicContact CG-CG2 3.58Å; M88-I519 HydrophobicContact SD-CG2 4.03Å; A515-I519 WeakPolarHBondContact O-CB 3.4Å; A515-I519 WeakPolarHBondContact O-CD1 3.43Å; A515-I519 WeakPolarHBondContact O-CG1 3.26Å; A515-I519 PolarHBondContact O-N 3.36Å; I519-G523 WeakPolarHBondContact O-CA 3.43Å; I519-G523 PolarHBondContact O-N 3.38Å; I519-G524 WeakPolarHBondContact CA-O 3.03Å; I519-G524 PolarHBondContact O-N 3.03Å; I519-Q527 HydrophobicContact CG1-CG 4.11Å
520Y90.6Very high87Confident50 Ų5035.7 Ų35.720%0.19620%0.201CC..Hα-helixtrans-66.8-49178.1177.1-96.7000112.7M3 L7 V10 M88 L516 W517 L518M3-Y520 HydrophobicContact CB-CD2 4.23Å; M3-Y520 HydrophobicContact CB-CE2 4.2Å; M3-Y520 WeakPolarHBondContact O-CE2 3.39Å; L7-Y520 HydrophobicContact CB-CE2 4.1Å; L7-Y520 HydrophobicContact CD1-CE1 4.38Å; L7-Y520 HydrophobicContact CD1-CE2 4.34Å; V10-Y520 HydrophobicContact CG2-CD1 4.22Å; V10-Y520 HydrophobicContact CG2-CD2 3.63Å; V10-Y520 HydrophobicContact CG2-CE2 4.31Å; V10-Y520 HydrophobicContact CG2-CG 3.58Å; M88-Y520 HydrophobicContact CE-CD2 4.15Å; L516-Y520 WeakPolarHBondContact O-CB 3.47Å; L516-Y520 PolarHBondContact O-N 3.14Å; L516-Y520 VanDerWaalsContact O-N 3.1Å; W517-Y520 PolarHBondContact O-N 3.19Å; L518-Y520 VanDerWaalsContact C-N 3.33Å; L518-Y520 PolarHBondContact O-N 3.24Å
521D88.8Confident86.6Confident106 Ų10636 Ų3657%0.56720%0.203SC*.Hα-helixtrans-66.9-40.3-176.7-175.365.3000112.5W517W517-D521 WeakPolarHBondContact O-CB 3.4Å; W517-D521 PolarHBondContact O-N 3.29Å
522Q86.8Confident86.4Confident90 Ų9037.3 Ų37.342%0.42121%0.211SC..Hα-helixtrans-91.7-12.8-177.1-57.2-174.5-29.400113.4L518 G524 M526L518-Q522 VanDerWaalsContact O-CB 3.24Å; L518-Q522 WeakPolarHBondContact O-CB 3.36Å; L518-Q522 WeakPolarHBondContact O-CG 3.26Å; L518-Q522 PolarHBondContact O-N 2.63Å; Q522-G524 PolarHBondContact O-N 3.42Å; Q522-M526 PolarHBondContact OE1-O 3.39Å
523G80.7Confident86.1Confident42 Ų4240.2 Ų40.243%0.43323%0.229SC..SBendtrans61.920.7-174.800000113.8I519I519-G523 WeakPolarHBondContact O-CA 3.43Å; I519-G523 PolarHBondContact O-N 3.38Å
524G83Confident85.9Confident25 Ų2546.2 Ų46.226%0.25825%0.252SS..SBendtrans-144.7157.6-168.300000112.8I519 Q522I519-G524 WeakPolarHBondContact CA-O 3.03Å; I519-G524 PolarHBondContact O-N 3.03Å; Q522-G524 PolarHBondContact O-N 3.42Å
525V81Confident85.9Confident5 Ų546.2 Ų46.23%0.0325%0.252CS..SBendtrans-86.7-17.4-172.3-179.60000112.9V77 V84 L87 Q527V77-V525 HydrophobicContact CB-CG1 3.77Å; V77-V525 WeakPolarHBondContact O-CG1 3.07Å; V84-V525 HydrophobicContact CB-CG2 4.31Å; V84-V525 HydrophobicContact CG1-CG2 4.16Å; V84-V525 HydrophobicContact CG2-CG2 3.77Å; L87-V525 HydrophobicContact CD2-CG1 3.62Å; V525-Q527 PolarHBondContact O-N 3.05Å; V525-Q527 VanDerWaalsContact O-N 3.13Å
526M79Confident85.9Confident71 Ų7146.3 Ų46.335%0.3525%0.252SS..  trans-80.392.8178.8-64.7-58.6105.100110.8V77 N78 Q522 E528V77-M526 HydrophobicContact CG2-CE 3.81Å; N78-M526 WeakPolarHBondContact OD1-CE 3.39Å; Q522-M526 PolarHBondContact OE1-O 3.39Å; M526-E528 HydrophobicContact CB-CG 4.36Å; M526-E528 PolarHBondContact O-N 2.99Å
527Q77.8Confident85.8Confident2 Ų251.5 Ų51.51%0.00928%0.275CS..  trans-74.848-176.2-57.7163.619.400113R71 K72 L518 I519 V525 A529R71-Q527 VanDerWaalsContact CB-OE1 3.26Å; K72-Q527 WeakPolarHBondContact CE-O 3.37Å; K72-Q527 PolarHBondContact NZ-O 3.38Å; L518-Q527 HydrophobicContact CD1-CB 4.32Å; I519-Q527 HydrophobicContact CG1-CG 4.11Å; V525-Q527 PolarHBondContact O-N 3.05Å; V525-Q527 VanDerWaalsContact O-N 3.13Å; Q527-A529 PolarHBondContact O-N 3.21Å
528E73.7Confident86Confident157 Ų15751.2 Ų51.273%0.73427%0.274SS*.  trans-75.5-19-169.1-68.4-159.5155.200115.5M526M526-E528 HydrophobicContact CB-CG 4.36Å; M526-E528 PolarHBondContact O-N 2.99Å
529A77.8Confident86.1Confident34 Ų3451 Ų5128%0.28127%0.273SS..SBendtrans-65.7150.917900000113.7L518 Q527L518-A529 HydrophobicContact CD1-CB 4.3Å; L518-A529 HydrophobicContact CD2-CB 3.8Å; Q527-A529 PolarHBondContact O-N 3.21Å
530S80Confident86.3Confident92 Ų9251 Ų5164%0.64327%0.273SS*.PPolyproline II helixtrans-62144.7173.451.30000111.4P532S530-P532 VanDerWaalsContact O-CD 3.27Å; S530-P532 WeakPolarHBondContact O-CD 3.46Å
531T83.8Confident86.5Confident8 Ų851.1 Ų51.15%0.04928%0.279CS..PPolyproline II helixtrans-61.3120.5178.3-60.70000111.1R71 V514 V533 L536R71-T531 PolarHBondContact NH1-OG1 2.89Å; R71-T531 PolarHBondContact NH2-OG1 3Å; V514-T531 HydrophobicContact CG1-CG2 4.23Å; V514-T531 HydrophobicContact CG2-CG2 3.82Å; T531-V533 PolarHBondContact O-N 2.97Å; T531-L536 HydrophobicContact CG2-CD1 4.16Å; T531-L536 HydrophobicContact CG2-CD2 3.93Å; T531-L536 HydrophobicContact CG2-CG 3.89Å
532P87.7Confident86.8Confident28 Ų2846.1 Ų46.118%0.18225%0.252CS..PPolyproline II helixtrans-61.5126.9177.1-24.134000112.2S530 W534 L535S530-P532 VanDerWaalsContact O-CD 3.27Å; S530-P532 WeakPolarHBondContact O-CD 3.46Å; P532-W534 HydrophobicContact CB-CG 4.48Å; P532-W534 PolarHBondContact O-N 3.16Å; P532-L535 HydrophobicContact CB-CD1 4.07Å; P532-L535 HydrophobicContact CB-CG 4.32Å; P532-L535 HydrophobicContact CG-CD1 3.91Å; P532-L535 WeakPolarHBondContact O-CB 3.27Å; P532-L535 PolarHBondContact O-N 2.91Å
533V87.5Confident87.1Confident62 Ų6241.8 Ų41.838%0.37623%0.232SC..Hα-helixtrans-59.2-34.2-174.5-169.70000112.6V60 V205 T531 L535 L536 F537V60-V533 HydrophobicContact CG1-CG1 3.81Å; V205-V533 HydrophobicContact CG1-CG1 4.23Å; V205-V533 HydrophobicContact CG1-CG2 3.8Å; T531-V533 PolarHBondContact O-N 2.97Å; V533-L535 VanDerWaalsContact C-N 3.28Å; V533-L535 PolarHBondContact O-N 2.99Å; V533-L536 WeakPolarHBondContact O-CB 3.5Å; V533-L536 PolarHBondContact O-N 3.49Å; V533-F537 PolarHBondContact O-N 3.47Å
534W91.7Very high87.7Confident126 Ų12640.5 Ų40.548%0.47722%0.216SC..Hα-helixtrans-67-27.2178.970.7-96000113.1F14 W517 P532 Y538F14-W534 AromaticContact CE1-CH2 3.73Å; F14-W534 HydrophobicContact CE1-CH2 3.73Å; F14-W534 AromaticContact CE1-CZ3 3.7Å; F14-W534 HydrophobicContact CE1-CZ3 3.7Å; F14-W534 AromaticContact CZ-CH2 3.53Å; F14-W534 HydrophobicContact CZ-CH2 3.53Å; F14-W534 HydrophobicContact CZ-CZ3 4.02Å; W517-W534 HydrophobicContact CD2-CZ2 4.36Å; W517-W534 HydrophobicContact CH2-CZ2 4.35Å; W517-W534 HydrophobicContact CZ2-CZ2 4.11Å; P532-W534 HydrophobicContact CB-CG 4.48Å; P532-W534 PolarHBondContact O-N 3.16Å; W534-Y538 WeakPolarHBondContact O-CB 3.47Å; W534-Y538 PolarHBondContact O-N 3.44Å
535L92.6Very high88.3Confident0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-72.5-36.3174.1-72.4171.5000111.5F14 I510 L513 V514 W517 P532 V533 Y538 G539F14-L535 HydrophobicContact CE1-CD2 3.43Å; F14-L535 VanDerWaalsContact CE1-CD2 3.43Å; F14-L535 HydrophobicContact CZ-CD2 3.74Å; I510-L535 HydrophobicContact CG2-CB 4Å; I510-L535 WeakPolarHBondContact CG2-O 3.42Å; L513-L535 HydrophobicContact CD2-CD2 3.78Å; L513-L535 HydrophobicContact CG-CD2 4.25Å; V514-L535 HydrophobicContact CB-CD1 4.29Å; V514-L535 HydrophobicContact CG1-CD1 4.4Å; V514-L535 HydrophobicContact CG2-CB 3.92Å; V514-L535 HydrophobicContact CG2-CD1 3.62Å; V514-L535 HydrophobicContact CG2-CG 4.36Å; W517-L535 HydrophobicContact CB-CD1 4.22Å; W517-L535 HydrophobicContact CG-CD1 4.08Å; P532-L535 HydrophobicContact CB-CD1 4.07Å; P532-L535 HydrophobicContact CB-CG 4.32Å; P532-L535 HydrophobicContact CG-CD1 3.91Å; P532-L535 WeakPolarHBondContact O-CB 3.27Å; P532-L535 PolarHBondContact O-N 2.91Å; V533-L535 VanDerWaalsContact C-N 3.28Å; V533-L535 PolarHBondContact O-N 2.99Å; L535-Y538 WeakPolarHBondContact O-CB 2.92Å; L535-Y538 PolarHBondContact O-N 3.2Å; L535-G539 PolarHBondContact O-N 3.35Å
536L92.2Very high88.8Confident2 Ų241.7 Ų41.71%0.0122%0.219CC..Hα-helixtrans-64.7-47.2171.6-61.9173.9000110.5S59 A64 V506 I510 T531 V533 Y538 G539 G540S59-L536 PolarHBondContact OG-O 2.98Å; A64-L536 HydrophobicContact CB-CD1 4.08Å; V506-L536 HydrophobicContact CG1-CD2 4.2Å; I510-L536 HydrophobicContact CG2-CD2 4.28Å; T531-L536 HydrophobicContact CG2-CD1 4.16Å; T531-L536 HydrophobicContact CG2-CD2 3.93Å; T531-L536 HydrophobicContact CG2-CG 3.89Å; V533-L536 WeakPolarHBondContact O-CB 3.5Å; V533-L536 PolarHBondContact O-N 3.49Å; L536-Y538 VanDerWaalsContact C-N 3.32Å; L536-Y538 PolarHBondContact O-N 3.49Å; L536-G539 PolarHBondContact O-N 3.23Å; L536-G539 VanDerWaalsContact O-N 3.15Å; L536-G540 PolarHBondContact O-N 2.87Å
537F93.7Very high89.3Confident110 Ų11038.3 Ų38.348%0.48220%0.202SC..Hα-helixtrans-58.3-42.9175.1-176.9-103.7000112.3T56 V60 V533 G539 G540 V541T56-F537 HydrophobicContact CG2-CD2 3.8Å; T56-F537 HydrophobicContact CG2-CE2 3.76Å; V60-F537 HydrophobicContact CG2-CB 3.96Å; V60-F537 HydrophobicContact CG2-CD2 4.14Å; V533-F537 PolarHBondContact O-N 3.47Å; F537-G539 PolarHBondContact O-N 3.32Å; F537-G540 PolarHBondContact O-N 2.7Å; F537-V541 HydrophobicContact CD1-CG2 4.25Å; F537-V541 HydrophobicContact CE1-CG2 3.83Å; F537-V541 HydrophobicContact CE2-CG2 4.35Å; F537-V541 HydrophobicContact CZ-CG2 3.88Å; F537-V541 WeakPolarHBondContact O-CG2 3.44Å; F537-V541 PolarHBondContact O-N 2.86Å
538Y95.4Very high89.9Confident60 Ų6042.8 Ų42.824%0.23522%0.219CC..Hα-helixtrans-56.3-45.6174178.5-102.9000112.6F14 F18 I510 L513 W534 L535 L536 V541 G542F14-Y538 HydrophobicContact CD1-CD1 4.42Å; F14-Y538 AromaticContact CD1-CE1 3.86Å; F14-Y538 HydrophobicContact CD1-CE1 3.86Å; F14-Y538 AromaticContact CD1-CZ 3.9Å; F14-Y538 PolarHBondContact O-OH 3.01Å; F18-Y538 HydrophobicContact CB-CE1 4.26Å; F18-Y538 HydrophobicContact CD2-CE1 4.36Å; F18-Y538 HydrophobicContact CD2-CE2 4.02Å; F18-Y538 AromaticContact CD2-CZ 3.89Å; I510-Y538 HydrophobicContact CD1-CD1 4Å; L513-Y538 HydrophobicContact CD2-CD1 3.96Å; L513-Y538 HydrophobicContact CD2-CE1 3.97Å; W534-Y538 WeakPolarHBondContact O-CB 3.47Å; W534-Y538 PolarHBondContact O-N 3.44Å; L535-Y538 WeakPolarHBondContact O-CB 2.92Å; L535-Y538 PolarHBondContact O-N 3.2Å; L536-Y538 VanDerWaalsContact C-N 3.32Å; L536-Y538 PolarHBondContact O-N 3.49Å; Y538-V541 PolarHBondContact O-N 3.39Å; Y538-G542 PolarHBondContact O-N 2.79Å
539G94.4Very high90.7Very high0 Ų040 Ų400%021%0.212CC..Hα-helixtrans-64.7-41.6173.800000113.5L535 L536 F537 V541 G542 I543L535-G539 PolarHBondContact O-N 3.35Å; L536-G539 PolarHBondContact O-N 3.23Å; L536-G539 VanDerWaalsContact O-N 3.15Å; F537-G539 PolarHBondContact O-N 3.32Å; G539-V541 VanDerWaalsContact C-N 3.32Å; G539-V541 PolarHBondContact O-N 3.39Å; G539-G542 PolarHBondContact O-N 2.88Å; G539-G542 VanDerWaalsContact O-N 3.16Å; G539-I543 WeakPolarHBondContact O-CG1 3.27Å; G539-I543 PolarHBondContact O-N 3.13Å
540G93.8Very high91.1Very high0 Ų040.8 Ų40.80%021%0.208CC..Hα-helixtrans-57.9-43.3174.500000112.3L536 F537 I543 C544L536-G540 PolarHBondContact O-N 2.87Å; F537-G540 PolarHBondContact O-N 2.7Å; G540-I543 PolarHBondContact O-N 3.37Å; G540-C544 PolarHBondContact O-N 3.13Å; G540-C544 PolarHBondContact O-SG 2.92Å
541V95.2Very high91.1Very high54 Ų5436.4 Ų36.433%0.32718%0.177SC..Hα-helixtrans-63.3-44.3173.7173.10000111.5F18 F537 Y538 G539 I543 C544 V545F18-V541 HydrophobicContact CE2-CG1 4.38Å; F537-V541 HydrophobicContact CD1-CG2 4.25Å; F537-V541 HydrophobicContact CE1-CG2 3.83Å; F537-V541 HydrophobicContact CE2-CG2 4.35Å; F537-V541 HydrophobicContact CZ-CG2 3.88Å; F537-V541 WeakPolarHBondContact O-CG2 3.44Å; F537-V541 PolarHBondContact O-N 2.86Å; Y538-V541 PolarHBondContact O-N 3.39Å; G539-V541 VanDerWaalsContact C-N 3.32Å; G539-V541 PolarHBondContact O-N 3.39Å; V541-I543 PolarHBondContact O-N 2.91Å; V541-C544 WeakPolarHBondContact O-CB 3.46Å; V541-C544 PolarHBondContact O-N 3.5Å; V541-V545 WeakPolarHBondContact O-CG2 3.4Å; V541-V545 PolarHBondContact O-N 3.11Å
542G95.4Very high90.8Very high0 Ų040 Ų400%019%0.19CC..Hα-helixtrans-58.4-47.2176.300000112.8F22 Y538 G539 C544 V545 G546F22-G542 VanDerWaalsContact CA-O 3.31Å; F22-G542 WeakPolarHBondContact CA-O 3.42Å; Y538-G542 PolarHBondContact O-N 2.79Å; G539-G542 PolarHBondContact O-N 2.88Å; G539-G542 VanDerWaalsContact O-N 3.16Å; G542-C544 PolarHBondContact O-N 3.26Å; G542-V545 PolarHBondContact O-N 2.82Å; G542-G546 PolarHBondContact O-N 3.1Å
543I93.6Very high90.1Very high0 Ų046.7 Ų46.70%021%0.211CC..Hα-helixtrans-56.2-48.8173.8-71.2169000110.7A21 V24 G25 E55 V506 G539 G540 V541 V545 G546 L547A21-I543 HydrophobicContact CB-CG1 4.17Å; A21-I543 VanDerWaalsContact O-CA 3.3Å; A21-I543 WeakPolarHBondContact O-CA 3.36Å; A21-I543 WeakPolarHBondContact O-CG1 3.5Å; V24-I543 HydrophobicContact CB-CG1 4.39Å; V24-I543 HydrophobicContact CG1-CD1 4.26Å; V24-I543 HydrophobicContact CG1-CG1 4.24Å; G25-I543 WeakPolarHBondContact CA-O 3.42Å; E55-I543 HydrophobicContact CB-CG2 4.42Å; E55-I543 WeakPolarHBondContact OE2-CG2 3.25Å; V506-I543 HydrophobicContact CB-CD1 4.02Å; V506-I543 HydrophobicContact CG2-CD1 4.3Å; G539-I543 WeakPolarHBondContact O-CG1 3.27Å; G539-I543 PolarHBondContact O-N 3.13Å; G540-I543 PolarHBondContact O-N 3.37Å; V541-I543 PolarHBondContact O-N 2.91Å; I543-V545 PolarHBondContact O-N 2.8Å; I543-G546 PolarHBondContact O-N 3.47Å; I543-L547 WeakPolarHBondContact O-CB 3.37Å; I543-L547 PolarHBondContact O-N 2.91Å
544C93.1Very high89.4Confident14 Ų1444.4 Ų44.410%0.09520%0.197CC..Hα-helixtrans-57.6-45.6176.8-67.50000112.2S52 T56 G540 V541 G542 G546 L547 W548S52-C544 VanDerWaalsContact CA-SG 3.54Å; S52-C544 PolarHBondContact O-SG 2.89Å; T56-C544 PolarHBondContact OG1-SG 3.16Å; G540-C544 PolarHBondContact O-N 3.13Å; G540-C544 PolarHBondContact O-SG 2.92Å; V541-C544 WeakPolarHBondContact O-CB 3.46Å; V541-C544 PolarHBondContact O-N 3.5Å; G542-C544 PolarHBondContact O-N 3.26Å; C544-G546 VanDerWaalsContact C-N 3.33Å; C544-G546 PolarHBondContact O-N 3.46Å; C544-L547 WeakPolarHBondContact O-CB 3.35Å; C544-L547 PolarHBondContact O-N 3.11Å; C544-W548 VanDerWaalsContact O-CD1 3.22Å; C544-W548 PolarHBondContact O-N 2.67Å
545V94.3Very high88.5Confident56 Ų5638.4 Ų38.434%0.33918%0.175SC..Hα-helixtrans-63.2-40.2179.5177.70000111.3F18 F22 V541 G542 I543 L547 W548 V549F18-V545 HydrophobicContact CZ-CB 4.29Å; F18-V545 HydrophobicContact CZ-CG2 4.15Å; F22-V545 HydrophobicContact CD2-CB 4.35Å; F22-V545 HydrophobicContact CD2-CG1 3.92Å; F22-V545 HydrophobicContact CE2-CG1 4.1Å; V541-V545 WeakPolarHBondContact O-CG2 3.4Å; V541-V545 PolarHBondContact O-N 3.11Å; G542-V545 PolarHBondContact O-N 2.82Å; I543-V545 PolarHBondContact O-N 2.8Å; V545-L547 PolarHBondContact O-N 2.93Å; V545-W548 PolarHBondContact O-N 2.62Å; V545-V549 HydrophobicContact CG1-CG2 4.25Å; V545-V549 WeakPolarHBondContact O-CB 3.47Å; V545-V549 VanDerWaalsContact O-CG2 3.31Å; V545-V549 WeakPolarHBondContact O-CG2 3.46Å; V545-V549 PolarHBondContact O-N 3.14Å
546G91.8Very high87.4Confident0 Ų043.4 Ų43.40%020%0.198CC..Hα-helixtrans-57.6-46.6173.300000113.8F22 G542 I543 C544 V549 W550 G551F22-G546 VanDerWaalsContact CD2-N 3.32Å; F22-G546 VanDerWaalsContact O-CA 3.24Å; F22-G546 WeakPolarHBondContact O-CA 3.27Å; G542-G546 PolarHBondContact O-N 3.1Å; I543-G546 PolarHBondContact O-N 3.47Å; C544-G546 VanDerWaalsContact C-N 3.33Å; C544-G546 PolarHBondContact O-N 3.46Å; G546-V549 PolarHBondContact O-N 3.18Å; G546-W550 PolarHBondContact O-N 3.06Å; G546-G551 PolarHBondContact O-N 3.31Å
547L89.9Confident86Confident0 Ų044.8 Ų44.80%021%0.207CC..Iπ-helixtrans-60-46.1176.6167.5164.2000112.7G25 V29 C48 A51 I543 C544 V545 G551 R552G25-L547 WeakPolarHBondContact O-CA 3.31Å; V29-L547 HydrophobicContact CB-CD1 3.95Å; V29-L547 HydrophobicContact CB-CG 4.22Å; V29-L547 HydrophobicContact CG1-CG 4.32Å; V29-L547 HydrophobicContact CG2-CD1 3.37Å; V29-L547 HydrophobicContact CG2-CG 3.85Å; C48-L547 HydrophobicContact CB-CD2 3.78Å; A51-L547 HydrophobicContact CB-CD1 3.44Å; A51-L547 VanDerWaalsContact CB-CD1 3.44Å; I543-L547 WeakPolarHBondContact O-CB 3.37Å; I543-L547 PolarHBondContact O-N 2.91Å; C544-L547 WeakPolarHBondContact O-CB 3.35Å; C544-L547 PolarHBondContact O-N 3.11Å; V545-L547 PolarHBondContact O-N 2.93Å; L547-G551 WeakPolarHBondContact O-CA 3.49Å; L547-G551 PolarHBondContact O-N 2.9Å; L547-R552 PolarHBondContact O-N 3.32Å
548W90.3Very high84.5Confident96 Ų9641.2 Ų41.236%0.36419%0.192SC..Iπ-helixtrans-70.2-37-179.5-83.888000113C48 I49 S52 C544 V545 R552C48-W548 HydrophobicContact CB-CD2 4.28Å; C48-W548 HydrophobicContact CB-CH2 4.22Å; C48-W548 HydrophobicContact CB-CZ2 3.81Å; I49-W548 HydrophobicContact CG1-CH2 3.79Å; I49-W548 HydrophobicContact CG1-CZ2 3.72Å; S52-W548 PolarHBondContact OG-NE1 3.39Å; C544-W548 VanDerWaalsContact O-CD1 3.22Å; C544-W548 PolarHBondContact O-N 2.67Å; V545-W548 PolarHBondContact O-N 2.62Å; W548-R552 WeakPolarHBondContact O-CD 3.32Å; W548-R552 PolarHBondContact O-NE 2.74Å
549V90.3Very high82.7Confident97 Ų9739.1 Ų39.159%0.58819%0.188SC*.Iπ-helixtrans-82.3-46.7-176.3174.50000112F22 V545 G546F22-V549 HydrophobicContact CE2-CB 3.79Å; F22-V549 HydrophobicContact CE2-CG1 4.09Å; F22-V549 HydrophobicContact CE2-CG2 4.08Å; F22-V549 HydrophobicContact CZ-CB 3.94Å; F22-V549 HydrophobicContact CZ-CG1 3.84Å; V545-V549 HydrophobicContact CG1-CG2 4.25Å; V545-V549 WeakPolarHBondContact O-CB 3.47Å; V545-V549 VanDerWaalsContact O-CG2 3.31Å; V545-V549 WeakPolarHBondContact O-CG2 3.46Å; V545-V549 PolarHBondContact O-N 3.14Å; G546-V549 PolarHBondContact O-N 3.18Å
550W86.3Confident80.9Confident51 Ų5147.5 Ų47.519%0.19323%0.225CC..Iπ-helixtrans-123.7-36.4-170.4-153.2-12.6000113.7F22 A26 L103 F107 G546 R552 R553F22-W550 HydrophobicContact CE1-CE3 4.1Å; A26-W550 HydrophobicContact CB-CB 3.89Å; A26-W550 HydrophobicContact CB-CE3 4.47Å; A26-W550 HydrophobicContact CB-CG 4.41Å; L103-W550 HydrophobicContact CD2-CE3 4.42Å; L103-W550 HydrophobicContact CD2-CZ3 3.8Å; F107-W550 HydrophobicContact CB-CH2 3.97Å; F107-W550 HydrophobicContact CB-CZ2 3.89Å; F107-W550 HydrophobicContact CD2-CH2 4.3Å; F107-W550 AromaticContact CD2-CZ2 3.98Å; F107-W550 HydrophobicContact CD2-CZ2 3.98Å; F107-W550 HydrophobicContact CG-CZ2 4.44Å; G546-W550 PolarHBondContact O-N 3.06Å; W550-R552 PolarHBondContact O-N 3.49Å; W550-R553 PolarHBondContact O-N 3.18Å
551G80.9Confident78.9Confident0 Ų053.3 Ų53.30%026%0.256CS..Iπ-helixtrans-53.1-32.8-178.100000114.1A26 G546 L547 R553 V554 I555A26-G551 WeakPolarHBondContact O-CA 3.19Å; G546-G551 PolarHBondContact O-N 3.31Å; L547-G551 WeakPolarHBondContact O-CA 3.49Å; L547-G551 PolarHBondContact O-N 2.9Å; G551-R553 VanDerWaalsContact C-N 3.25Å; G551-R553 PolarHBondContact O-N 3.06Å; G551-R553 VanDerWaalsContact O-N 3.16Å; G551-V554 PolarHBondContact O-N 3.13Å; G551-I555 WeakPolarHBondContact O-CG1 3.48Å; G551-I555 PolarHBondContact O-N 3.46Å
552R76.4Confident76.7Confident84 Ų8452.6 Ų52.632%0.31725%0.25SC..Hα-helixtrans-46.5-41.9170.5-73.3-179.2176.3-175.81.2114.9L44 L547 W548 W550 Q556L44-R552 HydrophobicContact CD2-CB 4.06Å; L44-R552 HydrophobicContact CD2-CG 4.21Å; L44-R552 HydrophobicContact CG-CG 4.33Å; L547-R552 PolarHBondContact O-N 3.32Å; W548-R552 WeakPolarHBondContact O-CD 3.32Å; W548-R552 PolarHBondContact O-NE 2.74Å; W550-R552 PolarHBondContact O-N 3.49Å; R552-Q556 WeakPolarHBondContact O-CG 3.27Å; R552-Q556 PolarHBondContact O-N 3.09Å
553R74.4Confident74.6Confident168 Ų16855.1 Ų55.163%0.63427%0.265SS*.Hα-helixtrans-73.3-36.7-179.3-65.6-178.8178.7168.5-0.1111.7W550 G551 Q556 T557W550-R553 PolarHBondContact O-N 3.18Å; G551-R553 VanDerWaalsContact C-N 3.25Å; G551-R553 PolarHBondContact O-N 3.06Å; G551-R553 VanDerWaalsContact O-N 3.16Å; R553-Q556 PolarHBondContact O-N 3.14Å; R553-T557 PolarHBondContact O-N 3.32Å; R553-T557 PolarHBondContact O-OG1 2.96Å
554V71.6Confident72.9Confident14 Ų1460.7 Ų60.79%0.08530%0.302CS..Hα-helixtrans-72.4-40.3-179.4-174.60000110.7A26 A30 G551 Q556 T557 M558A26-V554 WeakPolarHBondContact O-CG2 3.46Å; A30-V554 HydrophobicContact CB-CG1 3.99Å; G551-V554 PolarHBondContact O-N 3.13Å; V554-Q556 VanDerWaalsContact C-N 3.33Å; V554-Q556 PolarHBondContact O-N 3.2Å; V554-T557 PolarHBondContact O-N 2.93Å; V554-T557 PolarHBondContact O-OG1 3.31Å; V554-T557 VanDerWaalsContact O-OG1 3.07Å; V554-M558 HydrophobicContact CG1-CG 4.12Å; V554-M558 WeakPolarHBondContact O-CB 3.38Å; V554-M558 VanDerWaalsContact O-CG 3.29Å; V554-M558 WeakPolarHBondContact O-CG 3.36Å; V554-M558 PolarHBondContact O-N 3.13Å
555I73.8Confident71.7Confident0 Ų060.9 Ų60.90%030%0.302CS..Hα-helixtrans-58.1-45.3171.8-63.8164.3000110.7V29 A30 V37 L44 G551 T557 G559V29-I555 HydrophobicContact CG1-CD1 3.82Å; V29-I555 HydrophobicContact CG1-CG1 3.91Å; V29-I555 HydrophobicContact CG2-CD1 4.06Å; A30-I555 HydrophobicContact CB-CG1 4.39Å; V37-I555 HydrophobicContact CB-CG2 3.87Å; V37-I555 HydrophobicContact CG1-CG2 3.93Å; V37-I555 HydrophobicContact CG2-CG2 3.86Å; L44-I555 HydrophobicContact CD1-CB 3.76Å; L44-I555 HydrophobicContact CD1-CD1 3.82Å; L44-I555 HydrophobicContact CD1-CG1 4.41Å; L44-I555 HydrophobicContact CD1-CG2 3.55Å; G551-I555 WeakPolarHBondContact O-CG1 3.48Å; G551-I555 PolarHBondContact O-N 3.46Å; I555-T557 VanDerWaalsContact C-N 3.35Å; I555-T557 PolarHBondContact O-N 3.43Å; I555-G559 PolarHBondContact O-N 2.84Å
556Q69.2Low71Confident105 Ų10559 Ų5949%0.49129%0.291SS..Hα-helixtrans-65.1-32.5-178.5-78.5179-27.700114L44 R552 R553 V554 K560L44-Q556 HydrophobicContact CD2-CG 3.85Å; R552-Q556 WeakPolarHBondContact O-CG 3.27Å; R552-Q556 PolarHBondContact O-N 3.09Å; R553-Q556 PolarHBondContact O-N 3.14Å; V554-Q556 VanDerWaalsContact C-N 3.33Å; V554-Q556 PolarHBondContact O-N 3.2Å; Q556-K560 WeakPolarHBondContact O-CG 3.5Å
557T62.7Low70.5Confident32 Ų3259.1 Ų59.120%0.19629%0.291CS..Hα-helixtrans-79-51.7173.948.60000110.7K109 R553 V554 I555 G559 K560 D561K109-T557 HydrophobicContact CD-CG2 4.25Å; R553-T557 PolarHBondContact O-N 3.32Å; R553-T557 PolarHBondContact O-OG1 2.96Å; V554-T557 PolarHBondContact O-N 2.93Å; V554-T557 PolarHBondContact O-OG1 3.31Å; V554-T557 VanDerWaalsContact O-OG1 3.07Å; I555-T557 VanDerWaalsContact C-N 3.35Å; I555-T557 PolarHBondContact O-N 3.43Å; T557-G559 VanDerWaalsContact C-N 3.3Å; T557-G559 PolarHBondContact O-N 2.95Å; T557-K560 PolarHBondContact O-N 3.35Å; T557-D561 WeakPolarHBondContact O-CB 3.37Å; T557-D561 VanDerWaalsContact O-CG 3.25Å; T557-D561 PolarHBondContact O-N 3.45Å
558M60.8Low70.3Confident35 Ų3559.2 Ų59.217%0.17229%0.292CS..Hα-helixtrans-60.2-37.8-178.4-68.6-70.3-76.800112.7A30 P111 V554 K560 L562A30-M558 HydrophobicContact CB-CB 3.99Å; A30-M558 HydrophobicContact CB-CG 3.86Å; P111-M558 HydrophobicContact CB-CE 3.98Å; P111-M558 HydrophobicContact CB-SD 4.31Å; P111-M558 HydrophobicContact CG-CE 4.29Å; P111-M558 HydrophobicContact CG-SD 4.29Å; V554-M558 HydrophobicContact CG1-CG 4.12Å; V554-M558 WeakPolarHBondContact O-CB 3.38Å; V554-M558 VanDerWaalsContact O-CG 3.29Å; V554-M558 WeakPolarHBondContact O-CG 3.36Å; V554-M558 PolarHBondContact O-N 3.13Å; M558-K560 VanDerWaalsContact C-N 3.29Å; M558-K560 PolarHBondContact O-N 3.15Å; M558-L562 VanDerWaalsContact O-CB 3.25Å; M558-L562 WeakPolarHBondContact O-CB 3.43Å; M558-L562 WeakPolarHBondContact O-CD1 3.31Å; M558-L562 WeakPolarHBondContact O-CG 3.27Å; M558-L562 PolarHBondContact O-N 3.38Å; M558-L562 VanDerWaalsContact O-N 3.11Å
559G58.7Low70.1Confident15 Ų1554.8 Ų54.816%0.15528%0.276CS..Hα-helixtrans-72.1-15.8177.400000115.1G38 I555 T557G38-G559 VanDerWaalsContact CA-O 3.26Å; G38-G559 WeakPolarHBondContact CA-O 3.31Å; I555-G559 PolarHBondContact O-N 2.84Å; T557-G559 VanDerWaalsContact C-N 3.3Å; T557-G559 PolarHBondContact O-N 2.95Å
560K56.8Low70Confident177 Ų17750.2 Ų50.277%0.7725%0.248SC*.Hα-helixtrans-102.8-31177-70.1-174.1176.3-162.90113.3Q556 T557 M558Q556-K560 WeakPolarHBondContact O-CG 3.5Å; T557-K560 PolarHBondContact O-N 3.35Å; M558-K560 VanDerWaalsContact C-N 3.29Å; M558-K560 PolarHBondContact O-N 3.15Å
561D51.8Low70.2Confident122 Ų12247.8 Ų47.865%0.65224%0.238SC*.Hα-helixtrans-92.2-19.5-175.9-59.9-33.6000112.7T557T557-D561 WeakPolarHBondContact O-CB 3.37Å; T557-D561 VanDerWaalsContact O-CG 3.25Å; T557-D561 PolarHBondContact O-N 3.45Å
562L48.3Very low70.7Confident38 Ų3847.8 Ų47.820%0.19924%0.238CC..SBendtrans-71.3149.4163.4-70169.8000109.4M558 L617M558-L562 VanDerWaalsContact O-CB 3.25Å; M558-L562 WeakPolarHBondContact O-CB 3.43Å; M558-L562 WeakPolarHBondContact O-CD1 3.31Å; M558-L562 WeakPolarHBondContact O-CG 3.27Å; M558-L562 PolarHBondContact O-N 3.38Å; M558-L562 VanDerWaalsContact O-N 3.11Å; L562-L617 HydrophobicContact CD2-CD2 4.39Å
563T51.9Low71.4Confident53 Ų5343.9 Ų43.933%0.32522%0.224SC..  trans-47.6155.1178.545.40000112.7I565 A612T563-I565 WeakPolarHBondContact O-CG1 3.35Å; T563-I565 PolarHBondContact O-N 3.08Å; T563-A612 WeakPolarHBondContact CG2-O 3.47Å
564P58Low72.2Confident118 Ų11836 Ų3677%0.76619%0.194SC*.  trans-62.196.6173.725.2-33.7000110.2
565I67.1Low73.2Confident18 Ų1836 Ų369%0.09219%0.194CC..  trans-89.9113.7-175-48.3-152.5000108.3T35 T563 I573T35-I565 HydrophobicContact CG2-CD1 3.96Å; T563-I565 WeakPolarHBondContact O-CG1 3.35Å; T563-I565 PolarHBondContact O-N 3.08Å; I565-I573 HydrophobicContact CD1-CD1 4.08Å; I565-I573 HydrophobicContact CG2-CD1 4.17Å
566T79.9Confident74.1Confident17 Ų1736.2 Ų36.210%0.10420%0.195CC..  trans-65.5151.2171.259.80000110.9D478 S568 S569 G570D478-T566 HydrophobicContact CB-CG2 4.38Å; D478-T566 VanDerWaalsContact CG-CB 3.45Å; D478-T566 WeakPolarHBondContact OD1-CB 3.29Å; D478-T566 PolarHBondContact OD1-OG1 3.26Å; D478-T566 WeakPolarHBondContact OD2-CB 3.49Å; T566-S568 PolarHBondContact O-N 2.99Å; T566-S568 VanDerWaalsContact O-N 3.14Å; T566-S568 PolarHBondContact OG1-OG 2.93Å; T566-S568 VanDerWaalsContact OG1-OG 3.05Å; T566-S569 WeakPolarHBondContact O-CA 3.02Å; T566-S569 WeakPolarHBondContact O-CB 3.32Å; T566-S569 PolarHBondContact O-N 3.48Å; T566-S569 PolarHBondContact OG1-OG 3.23Å; T566-G570 PolarHBondContact O-N 3.34Å
567P81.8Confident75.3Confident2 Ų231.6 Ų31.61%0.01318%0.175CC..Hα-helixtrans-56.7-32.7-179.4-2836.1000114.1V41 H483 F486 G570 F571V41-P567 HydrophobicContact CG2-CB 4.3Å; V41-P567 HydrophobicContact CG2-CG 4.01Å; H483-P567 VanDerWaalsContact CD2-CD 3.44Å; H483-P567 WeakPolarHBondContact CD2-CD 3.39Å; H483-P567 VanDerWaalsContact CD2-CG 3.47Å; H483-P567 WeakPolarHBondContact CD2-CG 3.34Å; H483-P567 WeakPolarHBondContact NE2-CG 3.31Å; F486-P567 HydrophobicContact CB-CB 3.8Å; P567-G570 PolarHBondContact O-N 3.24Å; P567-F571 VanDerWaalsContact O-CB 3.23Å; P567-F571 WeakPolarHBondContact O-CB 3.42Å; P567-F571 PolarHBondContact O-N 3.12Å
568S85.4Confident76.7Confident1 Ų130.2 Ų30.21%0.00717%0.167CC..Hα-helixtrans-61.4-41.9173.263.80000113D478 T566 T572D478-S568 VanDerWaalsContact CG-OG 3.24Å; D478-S568 PolarHBondContact OD1-OG 3.32Å; D478-S568 WeakPolarHBondContact OD2-CB 3.45Å; D478-S568 PolarHBondContact OD2-N 3.07Å; D478-S568 PolarHBondContact OD2-OG 3.36Å; T566-S568 PolarHBondContact O-N 2.99Å; T566-S568 VanDerWaalsContact O-N 3.14Å; T566-S568 PolarHBondContact OG1-OG 2.93Å; T566-S568 VanDerWaalsContact OG1-OG 3.05Å; S568-T572 PolarHBondContact O-N 3.01Å; S568-T572 PolarHBondContact O-OG1 3.11Å
569S86.9Confident78.2Confident4 Ų431.9 Ų31.93%0.02817%0.173CC..Hα-helixtrans-69.1-45.3175.1-54.80000110.9T566 T572 I573T566-S569 WeakPolarHBondContact O-CA 3.02Å; T566-S569 WeakPolarHBondContact O-CB 3.32Å; T566-S569 PolarHBondContact O-N 3.48Å; T566-S569 PolarHBondContact OG1-OG 3.23Å; S569-T572 PolarHBondContact O-N 3.45Å; S569-I573 WeakPolarHBondContact O-CD1 3.47Å; S569-I573 VanDerWaalsContact O-CG1 3.22Å; S569-I573 WeakPolarHBondContact O-CG1 3.43Å; S569-I573 PolarHBondContact O-N 3.46Å
570G87.9Confident79.9Confident0 Ų031.6 Ų31.60%017%0.168CC..Hα-helixtrans-60.9-49.2-179.900000112.9T566 P567 T572 I573 E574T566-G570 PolarHBondContact O-N 3.34Å; P567-G570 PolarHBondContact O-N 3.24Å; G570-T572 VanDerWaalsContact C-N 3.28Å; G570-T572 PolarHBondContact O-N 3.13Å; G570-I573 PolarHBondContact O-N 3.38Å; G570-E574 WeakPolarHBondContact O-CB 3.44Å; G570-E574 VanDerWaalsContact O-CG 3.29Å; G570-E574 WeakPolarHBondContact O-CG 3.36Å; G570-E574 PolarHBondContact O-N 2.92Å
571F90.6Very high81.5Confident0 Ų023.3 Ų23.30%013%0.133CC..Hα-helixtrans-50.4-47.7171165.8-105.6000112.3I165 F186 F486 L489 Q490 T493 P567 E574 L575I165-F571 HydrophobicContact CD1-CD1 3.89Å; I165-F571 HydrophobicContact CD1-CE1 3.68Å; F186-F571 HydrophobicContact CB-CZ 4.13Å; F186-F571 HydrophobicContact CD1-CE1 4.31Å; F186-F571 AromaticContact CD1-CZ 3.79Å; F186-F571 HydrophobicContact CD1-CZ 3.79Å; F186-F571 HydrophobicContact CD2-CE1 4.39Å; F186-F571 AromaticContact CD2-CZ 3.93Å; F186-F571 HydrophobicContact CD2-CZ 3.93Å; F186-F571 HydrophobicContact CE1-CE1 4.18Å; F186-F571 HydrophobicContact CE1-CZ 4.13Å; F186-F571 HydrophobicContact CE2-CE1 4.24Å; F186-F571 HydrophobicContact CE2-CZ 4.24Å; F186-F571 HydrophobicContact CG-CE1 4.43Å; F186-F571 AromaticContact CG-CZ 3.7Å; F186-F571 HydrophobicContact CG-CZ 3.7Å; F186-F571 HydrophobicContact CZ-CE1 4.14Å; F186-F571 HydrophobicContact CZ-CZ 4.34Å; F486-F571 HydrophobicContact CD1-CB 4.03Å; F486-F571 AromaticContact CD1-CD1 3.79Å; F486-F571 HydrophobicContact CD1-CD1 3.79Å; F486-F571 AromaticContact CD1-CG 3.97Å; F486-F571 HydrophobicContact CD1-CG 3.97Å; F486-F571 AromaticContact CE1-CD1 3.61Å; F486-F571 HydrophobicContact CE1-CD1 3.61Å; F486-F571 HydrophobicContact CE1-CE1 4.01Å; F486-F571 HydrophobicContact CE1-CG 4.26Å; L489-F571 HydrophobicContact CB-CD2 3.58Å; L489-F571 HydrophobicContact CB-CE2 3.81Å; L489-F571 HydrophobicContact CB-CG 4.21Å; L489-F571 HydrophobicContact CD1-CD2 4.48Å; L489-F571 HydrophobicContact CD1-CE1 4.48Å; L489-F571 HydrophobicContact CD1-CE2 4.21Å; L489-F571 HydrophobicContact CD1-CZ 4.21Å; L489-F571 HydrophobicContact CD2-CE2 3.85Å; L489-F571 HydrophobicContact CD2-CZ 4.28Å; L489-F571 HydrophobicContact CG-CD2 4.42Å; L489-F571 HydrophobicContact CG-CE2 4.19Å; Q490-F571 HydrophobicContact CB-CB 4.49Å; T493-F571 HydrophobicContact CG2-CD2 3.31Å; T493-F571 HydrophobicContact CG2-CE2 3.37Å; T493-F571 HydrophobicContact CG2-CG 4.43Å; P567-F571 VanDerWaalsContact O-CB 3.23Å; P567-F571 WeakPolarHBondContact O-CB 3.42Å; P567-F571 PolarHBondContact O-N 3.12Å; F571-E574 PolarHBondContact O-N 3.36Å; F571-L575 HydrophobicContact CE1-CD2 4.39Å; F571-L575 HydrophobicContact CE2-CD2 4.08Å; F571-L575 HydrophobicContact CZ-CD2 3.71Å; F571-L575 WeakPolarHBondContact O-CB 3.5Å; F571-L575 PolarHBondContact O-N 2.89Å
572T91.1Very high83.4Confident0 Ų017.6 Ų17.60%010%0.102CC..Hα-helixtrans-67.6-43-176.6-57.20000112.2S158 L161 F162 I165 S568 S569 G570 A576 V604S158-T572 VanDerWaalsContact O-CG2 3.25Å; S158-T572 WeakPolarHBondContact O-CG2 3.19Å; L161-T572 HydrophobicContact CB-CG2 3.95Å; L161-T572 HydrophobicContact CD2-CG2 3.94Å; L161-T572 HydrophobicContact CG-CG2 3.78Å; F162-T572 HydrophobicContact CB-CG2 3.73Å; F162-T572 HydrophobicContact CD2-CG2 4.28Å; I165-T572 HydrophobicContact CD1-CG2 4.47Å; I165-T572 WeakPolarHBondContact CD1-OG1 3.4Å; S568-T572 PolarHBondContact O-N 3.01Å; S568-T572 PolarHBondContact O-OG1 3.11Å; S569-T572 PolarHBondContact O-N 3.45Å; G570-T572 VanDerWaalsContact C-N 3.28Å; G570-T572 PolarHBondContact O-N 3.13Å; T572-A576 WeakPolarHBondContact O-CB 3.34Å; T572-A576 PolarHBondContact O-N 3.08Å; T572-V604 HydrophobicContact CG2-CG2 4.08Å
573I90.6Very high85.4Confident3 Ų318.7 Ų18.72%0.01511%0.11CC..Hα-helixtrans-63.9-46.1177.4-68.9162000110.2I565 S569 G570 S577 K597 V601 V604I565-I573 HydrophobicContact CD1-CD1 4.08Å; I565-I573 HydrophobicContact CG2-CD1 4.17Å; S569-I573 WeakPolarHBondContact O-CD1 3.47Å; S569-I573 VanDerWaalsContact O-CG1 3.22Å; S569-I573 WeakPolarHBondContact O-CG1 3.43Å; S569-I573 PolarHBondContact O-N 3.46Å; G570-I573 PolarHBondContact O-N 3.38Å; I573-S577 WeakPolarHBondContact O-CB 3.44Å; I573-S577 PolarHBondContact O-N 3.36Å; I573-S577 VanDerWaalsContact O-N 3.17Å; I573-S577 PolarHBondContact O-OG 3.39Å; I573-K597 HydrophobicContact CG2-CD 3.84Å; I573-V601 HydrophobicContact CD1-CG2 4.14Å; I573-V601 HydrophobicContact CG2-CG2 3.73Å; I573-V604 HydrophobicContact CD1-CB 4.13Å; I573-V604 HydrophobicContact CD1-CG1 4.2Å; I573-V604 HydrophobicContact CG1-CB 3.91Å; I573-V604 HydrophobicContact CG1-CG1 4.24Å; I573-V604 HydrophobicContact CG1-CG2 3.83Å
574E91.1Very high87.2Confident2 Ų216.8 Ų16.81%0.00910%0.1CC..Hα-helixtrans-64-50.5178.2-72.9163.2-158.800112.2T35 Q490 T493 A494 G570 F571 A576 S577 A578T35-E574 WeakPolarHBondContact CB-OE1 3.5Å; T35-E574 WeakPolarHBondContact OG1-CG 3.43Å; T35-E574 PolarHBondContact OG1-OE1 2.95Å; Q490-E574 WeakPolarHBondContact CG-OE1 3.35Å; Q490-E574 VanDerWaalsContact CG-OE2 3.3Å; Q490-E574 WeakPolarHBondContact CG-OE2 3.33Å; Q490-E574 PolarHBondContact NE2-OE1 2.94Å; Q490-E574 VanDerWaalsContact O-OE2 3.06Å; T493-E574 WeakPolarHBondContact CB-OE2 3.35Å; T493-E574 PolarHBondContact OG1-OE2 3.38Å; A494-E574 PolarHBondContact N-OE2 3.48Å; G570-E574 WeakPolarHBondContact O-CB 3.44Å; G570-E574 VanDerWaalsContact O-CG 3.29Å; G570-E574 WeakPolarHBondContact O-CG 3.36Å; G570-E574 PolarHBondContact O-N 2.92Å; F571-E574 PolarHBondContact O-N 3.36Å; E574-A576 PolarHBondContact O-N 3.09Å; E574-S577 PolarHBondContact O-N 3.15Å; E574-S577 PolarHBondContact O-OG 2.78Å; E574-A578 WeakPolarHBondContact O-CB 3.43Å; E574-A578 PolarHBondContact O-N 2.92Å
575L92.5Very high88.5Confident14 Ų1411.2 Ų11.27%0.0736%0.064CC..Hα-helixtrans-62.6-45.6-175.9-17553.7000112.2L161 F186 T493 F496 F571 F579L161-L575 HydrophobicContact CD2-CB 4.12Å; L161-L575 HydrophobicContact CD2-CD2 3.96Å; L161-L575 HydrophobicContact CD2-CG 4.17Å; F186-L575 HydrophobicContact CD1-CD2 4.38Å; T493-L575 HydrophobicContact CG2-CB 3.82Å; T493-L575 HydrophobicContact CG2-CD1 4.22Å; T493-L575 HydrophobicContact CG2-CG 4.42Å; F496-L575 HydrophobicContact CD1-CD1 3.82Å; F496-L575 HydrophobicContact CE1-CD1 3.87Å; F571-L575 HydrophobicContact CE1-CD2 4.39Å; F571-L575 HydrophobicContact CE2-CD2 4.08Å; F571-L575 HydrophobicContact CZ-CD2 3.71Å; F571-L575 WeakPolarHBondContact O-CB 3.5Å; F571-L575 PolarHBondContact O-N 2.89Å; L575-F579 VanDerWaalsContact O-CB 3.28Å; L575-F579 WeakPolarHBondContact O-CB 3.46Å; L575-F579 PolarHBondContact O-N 3.46Å
576A93.4Very high89.4Confident4 Ų411.2 Ų11.23%0.0336%0.064CC..Hα-helixtrans-71.9-37.7-177.900000113.2M157 L161 T572 E574 T580M157-A576 HydrophobicContact CB-CB 4.14Å; L161-A576 HydrophobicContact CD2-CB 4.48Å; T572-A576 WeakPolarHBondContact O-CB 3.34Å; T572-A576 PolarHBondContact O-N 3.08Å; E574-A576 PolarHBondContact O-N 3.09Å; A576-T580 WeakPolarHBondContact O-CB 3.36Å; A576-T580 PolarHBondContact O-N 3.06Å; A576-T580 PolarHBondContact O-OG1 3.4Å
577S93Very high89.7Confident9 Ų915.2 Ų15.26%0.0639%0.088CC..Hα-helixtrans-70.8-4417656.60000111.8S154 I573 E574 F579 T580 V581S154-S577 VanDerWaalsContact OG-CA 3.24Å; S154-S577 WeakPolarHBondContact OG-CA 3.32Å; I573-S577 WeakPolarHBondContact O-CB 3.44Å; I573-S577 PolarHBondContact O-N 3.36Å; I573-S577 VanDerWaalsContact O-N 3.17Å; I573-S577 PolarHBondContact O-OG 3.39Å; E574-S577 PolarHBondContact O-N 3.15Å; E574-S577 PolarHBondContact O-OG 2.78Å; S577-F579 PolarHBondContact O-N 2.92Å; S577-T580 PolarHBondContact O-N 3.36Å; S577-V581 VanDerWaalsContact O-CG2 3.31Å; S577-V581 WeakPolarHBondContact O-CG2 3.39Å; S577-V581 PolarHBondContact O-N 3.27Å
578A93.3Very high89.8Confident3 Ų315.2 Ų15.23%0.0259%0.089CC..Hα-helixtrans-58.6-44.3173.200000112.3F496 A500 E574 T580 V581 V582F496-A578 HydrophobicContact CD1-CB 3.46Å; F496-A578 VanDerWaalsContact CD1-CB 3.46Å; F496-A578 HydrophobicContact CD2-CB 4.5Å; F496-A578 HydrophobicContact CE1-CB 3.39Å; F496-A578 HydrophobicContact CE2-CB 4.45Å; F496-A578 HydrophobicContact CG-CB 4.03Å; F496-A578 HydrophobicContact CZ-CB 3.93Å; A500-A578 HydrophobicContact CB-CB 4.16Å; E574-A578 WeakPolarHBondContact O-CB 3.43Å; E574-A578 PolarHBondContact O-N 2.92Å; A578-T580 PolarHBondContact O-N 2.84Å; A578-V581 PolarHBondContact O-N 2.91Å; A578-V582 WeakPolarHBondContact O-CG2 3.24Å; A578-V582 PolarHBondContact O-N 3.43Å
579F92.9Very high89.7Confident70 Ų7018.2 Ų18.231%0.30710%0.104SC..Hα-helixtrans-60.3-45.6175.4175.8-116.6000112.3M157 I193 L575 S577 V581 V582 V583M157-F579 HydrophobicContact SD-CE1 4.4Å; I193-F579 HydrophobicContact CD1-CD2 3.48Å; I193-F579 VanDerWaalsContact CD1-CD2 3.48Å; I193-F579 HydrophobicContact CD1-CE2 3.86Å; I193-F579 HydrophobicContact CD1-CG 4.35Å; I193-F579 HydrophobicContact CG1-CD2 3.91Å; I193-F579 HydrophobicContact CG1-CE2 3.97Å; I193-F579 HydrophobicContact CG2-CD2 4.01Å; I193-F579 HydrophobicContact CG2-CE2 4.5Å; L575-F579 VanDerWaalsContact O-CB 3.28Å; L575-F579 WeakPolarHBondContact O-CB 3.46Å; L575-F579 PolarHBondContact O-N 3.46Å; S577-F579 PolarHBondContact O-N 2.92Å; F579-V581 VanDerWaalsContact C-N 3.35Å; F579-V581 PolarHBondContact O-N 2.98Å; F579-V582 PolarHBondContact O-N 3.12Å; F579-V583 HydrophobicContact CD2-CG2 4Å; F579-V583 HydrophobicContact CE1-CG2 4.28Å; F579-V583 HydrophobicContact CE2-CG2 3.6Å; F579-V583 HydrophobicContact CZ-CG2 3.77Å; F579-V583 WeakPolarHBondContact O-CG2 3.47Å; F579-V583 PolarHBondContact O-N 3.01Å
580T92.8Very high89.6Confident8 Ų818 Ų185%0.04910%0.103CC..Hα-helixtrans-62.4-42.5179.2-55.90000111.5L153 S154 A576 S577 A578 A584L153-T580 HydrophobicContact CB-CG2 4.47Å; L153-T580 HydrophobicContact CD2-CG2 4.22Å; L153-T580 HydrophobicContact CG-CG2 4.35Å; S154-T580 WeakPolarHBondContact CA-OG1 3.27Å; A576-T580 WeakPolarHBondContact O-CB 3.36Å; A576-T580 PolarHBondContact O-N 3.06Å; A576-T580 PolarHBondContact O-OG1 3.4Å; S577-T580 PolarHBondContact O-N 3.36Å; A578-T580 PolarHBondContact O-N 2.84Å; T580-A584 WeakPolarHBondContact O-CB 3.46Å; T580-A584 PolarHBondContact O-N 3.16Å; T580-A584 VanDerWaalsContact O-N 3.08Å
581V92.3Very high89.6Confident4 Ų418.1 Ų18.12%0.02410%0.104CC..Hα-helixtrans-61.6-50.5175.2171.40000110.7A500 N504 S577 A578 F579 V583 A584 S585 T593 C596A500-V581 HydrophobicContact CB-CB 4.3Å; A500-V581 HydrophobicContact CB-CG1 4.05Å; N504-V581 HydrophobicContact CB-CG1 3.77Å; S577-V581 VanDerWaalsContact O-CG2 3.31Å; S577-V581 WeakPolarHBondContact O-CG2 3.39Å; S577-V581 PolarHBondContact O-N 3.27Å; A578-V581 PolarHBondContact O-N 2.91Å; F579-V581 VanDerWaalsContact C-N 3.35Å; F579-V581 PolarHBondContact O-N 2.98Å; V581-V583 PolarHBondContact O-N 3.46Å; V581-A584 PolarHBondContact O-N 2.93Å; V581-S585 PolarHBondContact O-N 2.89Å; V581-S585 PolarHBondContact O-OG 2.94Å; V581-T593 HydrophobicContact CG1-CG2 3.95Å; V581-T593 HydrophobicContact CG2-CG2 3.94Å; V581-C596 HydrophobicContact CG2-CB 4.04Å
582V90.9Very high89.5Confident1 Ų118.2 Ų18.21%0.00610%0.104CC..Hα-helixtrans-59.9-43.6179.5167.80000112.3I193 S197 F496 A500 A578 F579 A584 S585 N586I193-V582 HydrophobicContact CG2-CB 4.42Å; I193-V582 HydrophobicContact CG2-CG1 3.87Å; S197-V582 WeakPolarHBondContact OG-CG1 3.41Å; F496-V582 HydrophobicContact CE2-CG2 3.87Å; F496-V582 HydrophobicContact CZ-CG2 4.09Å; A500-V582 HydrophobicContact CB-CG2 3.58Å; A578-V582 WeakPolarHBondContact O-CG2 3.24Å; A578-V582 PolarHBondContact O-N 3.43Å; F579-V582 PolarHBondContact O-N 3.12Å; V582-A584 VanDerWaalsContact C-N 3.34Å; V582-A584 PolarHBondContact O-N 3.29Å; V582-S585 PolarHBondContact O-N 3.26Å; V582-N586 WeakPolarHBondContact O-CB 3.45Å; V582-N586 PolarHBondContact O-N 3.25Å; V582-N586 PolarHBondContact O-ND2 3.36Å; V582-N586 PolarHBondContact O-OD1 2.98Å
583V90Very high89.4Confident61 Ų6118.7 Ų18.737%0.3711%0.107SC..Hα-helixtrans-61.4-44177.3170.40000110.8F579 V581 N586 V587F579-V583 HydrophobicContact CD2-CG2 4Å; F579-V583 HydrophobicContact CE1-CG2 4.28Å; F579-V583 HydrophobicContact CE2-CG2 3.6Å; F579-V583 HydrophobicContact CZ-CG2 3.77Å; F579-V583 WeakPolarHBondContact O-CG2 3.47Å; F579-V583 PolarHBondContact O-N 3.01Å; V581-V583 PolarHBondContact O-N 3.46Å; V583-N586 PolarHBondContact O-N 3.5Å; V583-V587 WeakPolarHBondContact O-CG2 3.24Å; V583-V587 PolarHBondContact O-N 3.4Å
584A88.8Confident89.2Confident14 Ų1418.6 Ų18.612%0.11611%0.106CC..Hα-helixtrans-64.2-44.1175.900000112.6T580 V581 V582 N586 V587 G588 L589 V591T580-A584 WeakPolarHBondContact O-CB 3.46Å; T580-A584 PolarHBondContact O-N 3.16Å; T580-A584 VanDerWaalsContact O-N 3.08Å; V581-A584 PolarHBondContact O-N 2.93Å; V582-A584 VanDerWaalsContact C-N 3.34Å; V582-A584 PolarHBondContact O-N 3.29Å; A584-N586 VanDerWaalsContact C-N 3.31Å; A584-N586 PolarHBondContact O-N 3.1Å; A584-V587 CarbonylContact O-C 3.59Å; A584-V587 PolarHBondContact O-N 2.91Å; A584-V587 VanDerWaalsContact O-N 3.15Å; A584-G588 PolarHBondContact O-N 3.4Å; A584-G588 VanDerWaalsContact O-N 3.1Å; A584-L589 PolarHBondContact O-N 3.18Å; A584-V591 HydrophobicContact CB-CB 4.16Å; A584-V591 HydrophobicContact CB-CG1 3.53Å; A584-V591 HydrophobicContact CB-CG2 3.53Å
585S86Confident89Confident1 Ų118.6 Ų18.61%0.00711%0.107CC..Hα-helixtrans-62.4-36.6177.7-54.50000112.5N504 V581 V582 V587 G588N504-S585 PolarHBondContact OD1-OG 3.47Å; V581-S585 PolarHBondContact O-N 2.89Å; V581-S585 PolarHBondContact O-OG 2.94Å; V582-S585 PolarHBondContact O-N 3.26Å; S585-V587 VanDerWaalsContact C-N 3.33Å; S585-V587 PolarHBondContact O-N 3.32Å; S585-G588 WeakPolarHBondContact O-CA 3.3Å; S585-G588 PolarHBondContact O-N 2.92Å
586N85.3Confident88.9Confident17 Ų1718 Ų189%0.09110%0.103CC..Hα-helixtrans-68.1-30.2175.8-67.7-20.4000113S197 Y200 T201 V582 V583 A584S197-N586 WeakPolarHBondContact CB-ND2 3.45Å; S197-N586 PolarHBondContact OG-ND2 3.23Å; S197-N586 PolarHBondContact OG-OD1 3.12Å; Y200-N586 HydrophobicContact CD1-CB 4.24Å; Y200-N586 HydrophobicContact CE1-CB 4.49Å; T201-N586 VanDerWaalsContact OG1-CG 3.27Å; T201-N586 PolarHBondContact OG1-OD1 3.26Å; V582-N586 WeakPolarHBondContact O-CB 3.45Å; V582-N586 PolarHBondContact O-N 3.25Å; V582-N586 PolarHBondContact O-ND2 3.36Å; V582-N586 PolarHBondContact O-OD1 2.98Å; V583-N586 PolarHBondContact O-N 3.5Å; A584-N586 VanDerWaalsContact C-N 3.31Å; A584-N586 PolarHBondContact O-N 3.1Å
587V86.6Confident88.7Confident102 Ų10218.4 Ų18.462%0.61810%0.104SC*.THydrogen-bonded Turntrans-81-6170.7-175.50000111.2V583 A584 S585 L589V583-V587 WeakPolarHBondContact O-CG2 3.24Å; V583-V587 PolarHBondContact O-N 3.4Å; A584-V587 CarbonylContact O-C 3.59Å; A584-V587 PolarHBondContact O-N 2.91Å; A584-V587 VanDerWaalsContact O-N 3.15Å; S585-V587 VanDerWaalsContact C-N 3.33Å; S585-V587 PolarHBondContact O-N 3.32Å; V587-L589 VanDerWaalsContact C-N 3.3Å; V587-L589 HydrophobicContact CB-CD1 4.48Å; V587-L589 HydrophobicContact CB-CG 4.39Å; V587-L589 HydrophobicContact CG1-CD1 4.03Å; V587-L589 HydrophobicContact CG1-CG 4.03Å
588G83.5Confident88.4Confident2 Ų219 Ų192%0.02111%0.108CC..THydrogen-bonded Turntrans73.618-177.600000113.6T69 A584 S585 P590T69-G588 WeakPolarHBondContact CB-O 3.28Å; T69-G588 WeakPolarHBondContact CG2-O 3.4Å; T69-G588 PolarHBondContact OG1-O 2.88Å; A584-G588 PolarHBondContact O-N 3.4Å; A584-G588 VanDerWaalsContact O-N 3.1Å; S585-G588 WeakPolarHBondContact O-CA 3.3Å; S585-G588 PolarHBondContact O-N 2.92Å; G588-P590 WeakPolarHBondContact O-CD 3.33Å
589L85.2Confident88.2Confident63 Ų6319.3 Ų19.333%0.3311%0.111SC..  trans-85.6119.9179.3-69175.1000110.3A584 V587 V591A584-L589 PolarHBondContact O-N 3.18Å; V587-L589 VanDerWaalsContact C-N 3.3Å; V587-L589 HydrophobicContact CB-CD1 4.48Å; V587-L589 HydrophobicContact CB-CG 4.39Å; V587-L589 HydrophobicContact CG1-CD1 4.03Å; V587-L589 HydrophobicContact CG1-CG 4.03Å; L589-V591 PolarHBondContact O-N 2.93Å
590P82.9Confident88.1Confident0 Ų016 Ų160%010%0.097CC..  trans-72.597.8177.129.9-34.1000110V66 T69 I70 T115 I143 W147 G588V66-P590 HydrophobicContact CG1-CB 3.99Å; T69-P590 HydrophobicContact CG2-CG 4.31Å; I70-P590 HydrophobicContact CD1-CB 4.4Å; I70-P590 HydrophobicContact CG1-CB 4.17Å; T115-P590 HydrophobicContact CG2-CB 3.68Å; T115-P590 WeakPolarHBondContact CG2-O 3.47Å; I143-P590 HydrophobicContact CD1-CG 4.32Å; I143-P590 HydrophobicContact CG1-CG 4.17Å; I143-P590 HydrophobicContact CG2-CG 4.29Å; W147-P590 PolarHBondContact NE1-O 3.34Å; G588-P590 WeakPolarHBondContact O-CD 3.33Å
591V88.2Confident87.8Confident3 Ų316.8 Ų16.82%0.01810%0.101CC..  trans-98.2170.6176.4-68.40000111.7T115 N504 A584 L589T115-V591 WeakPolarHBondContact CB-O 3.44Å; T115-V591 WeakPolarHBondContact CG2-O 3.48Å; T115-V591 PolarHBondContact OG1-O 3.04Å; N504-V591 PolarHBondContact ND2-O 3.47Å; A584-V591 HydrophobicContact CB-CB 4.16Å; A584-V591 HydrophobicContact CB-CG1 3.53Å; A584-V591 HydrophobicContact CB-CG2 3.53Å; L589-V591 PolarHBondContact O-N 2.93Å
592S88.8Confident87.5Confident1 Ų118.1 Ų18.11%0.00711%0.11CC..  trans-100.3121.3172.6177.80000110.7S113 H595 C596S113-S592 WeakPolarHBondContact CB-OG 3.39Å; S113-S592 VanDerWaalsContact OG-CB 3.24Å; S113-S592 WeakPolarHBondContact OG-CB 3.37Å; S113-S592 PolarHBondContact OG-OG 3.22Å; S113-S592 VanDerWaalsContact OG-OG 3.06Å; S592-H595 WeakPolarHBondContact CB-CD2 3.33Å; S592-H595 VanDerWaalsContact CB-CG 3.45Å; S592-H595 PolarHBondContact O-N 3.37Å; S592-H595 PolarHBondContact OG-CD2 3.26Å; S592-H595 PolarHBondContact OG-N 3.34Å; S592-C596 PolarHBondContact O-N 2.97Å; S592-C596 PolarHBondContact O-SG 3.34Å
593T88.9Confident87.4Confident10 Ų1019.2 Ų19.26%0.06112%0.118CC..Hα-helixtrans-62.5-45173.752.20000111N504 D505 V581 H595 C596 K597N504-T593 HydrophobicContact CB-CG2 4.29Å; D505-T593 WeakPolarHBondContact OD2-CB 3.15Å; D505-T593 WeakPolarHBondContact OD2-CG2 3.43Å; D505-T593 PolarHBondContact OD2-OG1 3.26Å; V581-T593 HydrophobicContact CG1-CG2 3.95Å; V581-T593 HydrophobicContact CG2-CG2 3.94Å; T593-H595 VanDerWaalsContact C-N 3.31Å; T593-H595 PolarHBondContact O-N 2.94Å; T593-C596 PolarHBondContact O-N 3.19Å; T593-K597 PolarHBondContact O-N 3.19Å
594T86.9Confident87.3Confident1 Ų116.4 Ų16.41%0.00610%0.101CC..Hα-helixtrans-52.4-44.7172.3-46.40000112.1D28 N31 P111 I112 K597 V598D28-T594 PolarHBondContact OD1-OG1 3.03Å; N31-T594 PolarHBondContact ND2-OG1 3.16Å; P111-T594 HydrophobicContact CB-CG2 4.32Å; I112-T594 WeakPolarHBondContact O-CB 3.17Å; I112-T594 WeakPolarHBondContact O-CG2 3.49Å; I112-T594 PolarHBondContact O-OG1 2.96Å; T594-K597 PolarHBondContact O-N 3.31Å; T594-V598 WeakPolarHBondContact O-CB 3.36Å; T594-V598 VanDerWaalsContact O-CG2 3.26Å; T594-V598 WeakPolarHBondContact O-CG2 3.48Å; T594-V598 PolarHBondContact O-N 3.45Å
595H86.8Confident87.1Confident3 Ų316.3 Ų16.31%0.01410%0.102CC..Hα-helixtrans-65-47.8178.4-70.6-158.5000112.4H116 W147 P151 S592 T593 K597 V598 G599 W625H116-H595 AromaticContact CE1-CE1 3.13Å; H116-H595 PolarHBondContact CE1-CE1 3.02Å; H116-H595 AromaticContact CE1-NE2 3.17Å; H116-H595 PolarHBondContact CE1-NE2 3.11Å; H116-H595 AromaticContact ND1-NE2 3.97Å; H116-H595 AromaticContact NE2-CE1 3.2Å; H116-H595 PolarHBondContact NE2-CE1 2.9Å; H116-H595 AromaticContact NE2-NE2 3.47Å; H116-H595 PolarHBondContact NE2-NE2 2.89Å; W147-H595 PolarHBondContact O-ND1 2.95Å; P151-H595 HydrophobicContact CB-CB 4.18Å; P151-H595 WeakPolarHBondContact CB-O 3.34Å; P151-H595 HydrophobicContact CG-CB 4.25Å; S592-H595 WeakPolarHBondContact CB-CD2 3.33Å; S592-H595 VanDerWaalsContact CB-CG 3.45Å; S592-H595 PolarHBondContact O-N 3.37Å; S592-H595 PolarHBondContact OG-CD2 3.26Å; S592-H595 PolarHBondContact OG-N 3.34Å; T593-H595 VanDerWaalsContact C-N 3.31Å; T593-H595 PolarHBondContact O-N 2.94Å; H595-K597 VanDerWaalsContact C-N 3.27Å; H595-K597 PolarHBondContact O-N 2.81Å; H595-V598 PolarHBondContact O-N 2.7Å; H595-G599 PolarHBondContact O-N 3.3Å; H595-W625 HydrophobicContact CB-CH2 4.34Å; H595-W625 HydrophobicContact CB-CZ2 4.27Å; H595-W625 AromaticContact CD2-CD2 3.73Å; H595-W625 AromaticContact CD2-CE2 3.21Å; H595-W625 AromaticContact CD2-CZ2 3.38Å; H595-W625 WeakPolarHBondContact CD2-CZ2 3.44Å; H595-W625 AromaticContact CD2-NE1 3.44Å; H595-W625 PolarHBondContact CD2-NE1 3.42Å; H595-W625 AromaticContact CE1-CD2 3.59Å; H595-W625 AromaticContact CE1-CE2 3.91Å; H595-W625 AromaticContact CE1-CE3 3.69Å; H595-W625 AromaticContact CG-CE2 3.92Å; H595-W625 AromaticContact CG-CH2 3.88Å; H595-W625 AromaticContact CG-CZ2 3.69Å; H595-W625 AromaticContact NE2-CD1 3.49Å; H595-W625 AromaticContact NE2-CD2 3.23Å; H595-W625 AromaticContact NE2-CE2 3.24Å; H595-W625 AromaticContact NE2-CE3 3.82Å; H595-W625 AromaticContact NE2-CG 3.4Å; H595-W625 AromaticContact NE2-CZ2 3.85Å; H595-W625 AromaticContact NE2-NE1 3.4Å; H595-W625 PolarHBondContact NE2-NE1 3.42Å
596C91Very high87Confident0 Ų022.1 Ų22.10%012%0.124CC..Hα-helixtrans-57.4-46.3179.9-610000110S154 V581 S592 T593 G599 S600S154-C596 WeakPolarHBondContact CB-O 3.04Å; S154-C596 PolarHBondContact OG-O 3.05Å; V581-C596 HydrophobicContact CG2-CB 4.04Å; S592-C596 PolarHBondContact O-N 2.97Å; S592-C596 PolarHBondContact O-SG 3.34Å; T593-C596 PolarHBondContact O-N 3.19Å; C596-G599 PolarHBondContact O-N 3.08Å; C596-S600 PolarHBondContact O-N 3.13Å; C596-S600 PolarHBondContact O-OG 2.94Å
597K88.6Confident87Confident13 Ų1323.8 Ų23.86%0.05713%0.132CC..Hα-helixtrans-59.1-51.2176.1-166.175.7176.4-152.60111.9N31 T35 I573 T593 T594 H595 G599 S600 V601N31-K597 VanDerWaalsContact O-CD 3.26Å; N31-K597 WeakPolarHBondContact O-CD 3.43Å; N31-K597 WeakPolarHBondContact O-CE 3.37Å; N31-K597 PolarHBondContact O-NZ 3.41Å; T35-K597 PolarHBondContact OG1-NZ 2.95Å; I573-K597 HydrophobicContact CG2-CD 3.84Å; T593-K597 PolarHBondContact O-N 3.19Å; T594-K597 PolarHBondContact O-N 3.31Å; H595-K597 VanDerWaalsContact C-N 3.27Å; H595-K597 PolarHBondContact O-N 2.81Å; K597-G599 PolarHBondContact O-N 3.43Å; K597-S600 PolarHBondContact O-N 2.82Å; K597-V601 WeakPolarHBondContact O-CG2 3.43Å; K597-V601 PolarHBondContact O-N 3.5Å
598V86.2Confident86.6Confident22 Ų2221.4 Ų21.413%0.13311%0.112CC..Hα-helixtrans-59.8-44.6179168.50000111.7T594 H595 S600 V601 V602 F618 I621 W625T594-V598 WeakPolarHBondContact O-CB 3.36Å; T594-V598 VanDerWaalsContact O-CG2 3.26Å; T594-V598 WeakPolarHBondContact O-CG2 3.48Å; T594-V598 PolarHBondContact O-N 3.45Å; H595-V598 PolarHBondContact O-N 2.7Å; V598-S600 VanDerWaalsContact C-N 3.31Å; V598-S600 PolarHBondContact O-N 2.94Å; V598-V601 PolarHBondContact O-N 3.03Å; V598-V602 HydrophobicContact CG1-CG2 4.43Å; V598-V602 WeakPolarHBondContact O-CG2 3.47Å; V598-V602 PolarHBondContact O-N 3.05Å; V598-F618 HydrophobicContact CG1-CD2 3.8Å; V598-F618 HydrophobicContact CG1-CE2 3.98Å; V598-I621 HydrophobicContact CG2-CD1 4.18Å; V598-I621 HydrophobicContact CG2-CG2 4.36Å; V598-W625 HydrophobicContact CB-CZ2 4.49Å; V598-W625 HydrophobicContact CG1-CH2 4.49Å; V598-W625 HydrophobicContact CG1-CZ2 4.41Å
599G89.5Confident86.2Confident10 Ų1022.6 Ų22.610%0.10312%0.12CC..Hα-helixtrans-58.5-41.817600000112.6G155 H595 C596 K597 A603G155-G599 VanDerWaalsContact CA-O 3.3Å; G155-G599 WeakPolarHBondContact CA-O 3.19Å; H595-G599 PolarHBondContact O-N 3.3Å; C596-G599 PolarHBondContact O-N 3.08Å; K597-G599 PolarHBondContact O-N 3.43Å; G599-A603 WeakPolarHBondContact O-CB 3.47Å; G599-A603 PolarHBondContact O-N 3.32Å; G599-A603 VanDerWaalsContact O-N 3.1Å
600S91.1Very high85.3Confident0 Ų026.4 Ų26.40%013%0.134CC..Hα-helixtrans-70.4-40.5175.7-650000113.9S154 S158 C596 K597 V598 V602 A603 V604S154-S600 VanDerWaalsContact C-OG 3.22Å; S154-S600 PolarHBondContact O-OG 3.39Å; S154-S600 PolarHBondContact OG-OG 2.85Å; S158-S600 VanDerWaalsContact OG-CA 3.24Å; S158-S600 WeakPolarHBondContact OG-CA 3.42Å; S158-S600 WeakPolarHBondContact OG-CB 3.23Å; S158-S600 PolarHBondContact OG-O 3.31Å; S158-S600 PolarHBondContact OG-OG 3.05Å; C596-S600 PolarHBondContact O-N 3.13Å; C596-S600 PolarHBondContact O-OG 2.94Å; K597-S600 PolarHBondContact O-N 2.82Å; V598-S600 VanDerWaalsContact C-N 3.31Å; V598-S600 PolarHBondContact O-N 2.94Å; S600-V602 PolarHBondContact O-N 2.94Å; S600-A603 PolarHBondContact O-N 3.17Å; S600-V604 WeakPolarHBondContact O-CB 3.4Å; S600-V604 WeakPolarHBondContact O-CG2 3.22Å; S600-V604 PolarHBondContact O-N 3.28Å
601V85.9Confident84.4Confident24 Ų2433.2 Ų33.215%0.14516%0.164CC..Hα-helixtrans-59.4-46.1174.3172.10000110.7I573 K597 V598 G605I573-V601 HydrophobicContact CD1-CG2 4.14Å; I573-V601 HydrophobicContact CG2-CG2 3.73Å; K597-V601 WeakPolarHBondContact O-CG2 3.43Å; K597-V601 PolarHBondContact O-N 3.5Å; V598-V601 PolarHBondContact O-N 3.03Å; V601-G605 WeakPolarHBondContact O-CA 3.13Å; V601-G605 PolarHBondContact O-N 3.02Å
602V85.7Confident83.2Confident33 Ų3334.8 Ų34.820%0.218%0.177CC..Hα-helixtrans-63.4-45.4179.5170.20000111.3V598 S600 W606 V613 F618V598-V602 HydrophobicContact CG1-CG2 4.43Å; V598-V602 WeakPolarHBondContact O-CG2 3.47Å; V598-V602 PolarHBondContact O-N 3.05Å; S600-V602 PolarHBondContact O-N 2.94Å; V602-W606 VanDerWaalsContact O-CB 3.26Å; V602-W606 WeakPolarHBondContact O-CB 3.36Å; V602-W606 PolarHBondContact O-N 2.71Å; V602-V613 HydrophobicContact CG1-CG1 4.28Å; V602-V613 HydrophobicContact CG2-CG1 4.42Å; V602-F618 HydrophobicContact CG2-CD2 3.97Å; V602-F618 HydrophobicContact CG2-CE2 4.47Å
603A89.9Confident82.2Confident23 Ų2335.6 Ų35.619%0.1918%0.182CC..Hα-helixtrans-66-48.7-17900000112.7G155 G599 S600 W606 I607G155-A603 WeakPolarHBondContact O-CB 3.45Å; G599-A603 WeakPolarHBondContact O-CB 3.47Å; G599-A603 PolarHBondContact O-N 3.32Å; G599-A603 VanDerWaalsContact O-N 3.1Å; S600-A603 PolarHBondContact O-N 3.17Å; A603-W606 PolarHBondContact O-N 3.44Å; A603-I607 WeakPolarHBondContact O-CD1 3.46Å; A603-I607 VanDerWaalsContact O-CG1 3.28Å; A603-I607 WeakPolarHBondContact O-CG1 3.33Å; A603-I607 PolarHBondContact O-N 2.84Å; A603-I607 VanDerWaalsContact O-N 3.16Å
604V88.3Confident81.3Confident2 Ų239.8 Ų39.81%0.01220%0.204CC..Hα-helixtrans-67-42.5178.81750000111F162 T572 I573 S600 W606 I607 R608F162-V604 HydrophobicContact CB-CG2 4.16Å; F162-V604 HydrophobicContact CD1-CG1 4.31Å; F162-V604 HydrophobicContact CD2-CG1 3.77Å; F162-V604 HydrophobicContact CE1-CG1 4.5Å; F162-V604 HydrophobicContact CE2-CG1 3.98Å; F162-V604 HydrophobicContact CG-CG1 3.96Å; F162-V604 HydrophobicContact CG-CG2 4.45Å; F162-V604 HydrophobicContact CZ-CG1 4.34Å; T572-V604 HydrophobicContact CG2-CG2 4.08Å; I573-V604 HydrophobicContact CD1-CB 4.13Å; I573-V604 HydrophobicContact CD1-CG1 4.2Å; I573-V604 HydrophobicContact CG1-CB 3.91Å; I573-V604 HydrophobicContact CG1-CG1 4.24Å; I573-V604 HydrophobicContact CG1-CG2 3.83Å; S600-V604 WeakPolarHBondContact O-CB 3.4Å; S600-V604 WeakPolarHBondContact O-CG2 3.22Å; S600-V604 PolarHBondContact O-N 3.28Å; V604-W606 PolarHBondContact O-N 2.92Å; V604-I607 PolarHBondContact O-N 3.38Å; V604-R608 WeakPolarHBondContact O-CB 3.22Å; V604-R608 PolarHBondContact O-N 3.41Å
605G83.4Confident81Confident12 Ų1246 Ų4612%0.12423%0.228CC..Hα-helixtrans-56.6-47.4175.200000112.4V601 I607 R608 S609V601-G605 WeakPolarHBondContact O-CA 3.13Å; V601-G605 PolarHBondContact O-N 3.02Å; G605-I607 PolarHBondContact O-N 2.99Å; G605-R608 PolarHBondContact O-N 3.48Å; G605-S609 CarbonylContact O-C 3.52Å; G605-S609 PolarHBondContact O-N 2.95Å
606W84.2Confident80.6Confident123 Ų12354.7 Ų54.747%0.46626%0.26SS..Hα-helixtrans-64.7-34.8178.8-176.8-83.9000113.6V602 A603 V604 V613 W615V602-W606 VanDerWaalsContact O-CB 3.26Å; V602-W606 WeakPolarHBondContact O-CB 3.36Å; V602-W606 PolarHBondContact O-N 2.71Å; A603-W606 PolarHBondContact O-N 3.44Å; V604-W606 PolarHBondContact O-N 2.92Å; W606-V613 HydrophobicContact CB-CG2 4.08Å; W606-W615 AromaticContact CE3-CZ2 3.78Å; W606-W615 HydrophobicContact CE3-CZ2 3.78Å; W606-W615 AromaticContact CZ3-CZ2 3.52Å; W606-W615 HydrophobicContact CZ3-CZ2 3.52Å; W606-W615 AromaticContact CZ3-NE1 3.95Å
607I85.6Confident79.6Confident53 Ų5358.5 Ų58.527%0.27228%0.28SS..Hα-helixtrans-72.9-30.8176.9-65.5161.8000111.6F162 V163 A603 V604 G605F162-I607 HydrophobicContact CD1-CB 4.17Å; F162-I607 HydrophobicContact CD1-CG2 3.69Å; F162-I607 HydrophobicContact CE1-CG2 4.03Å; V163-I607 HydrophobicContact CG2-CD1 4.38Å; V163-I607 HydrophobicContact CG2-CG2 4.16Å; A603-I607 WeakPolarHBondContact O-CD1 3.46Å; A603-I607 VanDerWaalsContact O-CG1 3.28Å; A603-I607 WeakPolarHBondContact O-CG1 3.33Å; A603-I607 PolarHBondContact O-N 2.84Å; A603-I607 VanDerWaalsContact O-N 3.16Å; V604-I607 PolarHBondContact O-N 3.38Å; G605-I607 PolarHBondContact O-N 2.99Å
608R78.8Confident78.8Confident51 Ų5160.9 Ų60.919%0.19229%0.29CS..Hα-helixtrans-76.4-54.6177.2-178.4179.717078.86.7112F162 E476 V604 G605F162-R608 HydrophobicContact CE1-CB 4.48Å; E476-R608 PolarHBondContact O-NH1 3.44Å; E476-R608 PolarHBondContact O-NH2 3.07Å; V604-R608 WeakPolarHBondContact O-CB 3.22Å; V604-R608 PolarHBondContact O-N 3.41Å; G605-R608 PolarHBondContact O-N 3.48Å
609S73.4Confident78.6Confident28 Ų2866.9 Ų66.920%0.19631%0.311CS..  trans-154.3134169.7159.80000110.5E473 G605 K611 A612E473-S609 PolarHBondContact OE2-OG 3.38Å; G605-S609 CarbonylContact O-C 3.52Å; G605-S609 PolarHBondContact O-N 2.95Å; S609-K611 PolarHBondContact O-N 3.5Å; S609-K611 PolarHBondContact OG-N 3.29Å; S609-A612 WeakPolarHBondContact O-CB 3.5Å; S609-A612 PolarHBondContact O-N 2.95Å
610K68.1Low78Confident143 Ų14370.7 Ų70.762%0.62233%0.329SS*.THydrogen-bonded Turntrans-63.2-26.7177.8-66.4176.7-177.6171.50112.7
611K64.1Low77.2Confident143 Ų14371.3 Ų71.362%0.62233%0.332SS*.THydrogen-bonded Turntrans-79.9-14.5176.6-67.5174.6-179.81420113.4E473 S609E473-K611 VanDerWaalsContact OE1-CD 3.24Å; E473-K611 WeakPolarHBondContact OE1-CD 3.26Å; E473-K611 WeakPolarHBondContact OE1-CE 3.43Å; E473-K611 IonicContact OE1-NZ 2.77Å; E473-K611 PolarHBondContact OE1-NZ 3.04Å; S609-K611 PolarHBondContact O-N 3.5Å; S609-K611 PolarHBondContact OG-N 3.29Å
612A62.2Low76.9Confident36 Ų3674.5 Ų74.530%0.29834%0.344SS..SBendtrans-76.9-19.4-177.700000114T563 S609 D614T563-A612 WeakPolarHBondContact CG2-O 3.47Å; S609-A612 WeakPolarHBondContact O-CB 3.5Å; S609-A612 PolarHBondContact O-N 2.95Å; A612-D614 PolarHBondContact O-N 3.25Å
613V67.1Low76.8Confident18 Ų1877.4 Ų77.411%0.10936%0.358CS..  trans-86.7108.9-176.7-178.30000111V602 W606 W615V602-V613 HydrophobicContact CG1-CG1 4.28Å; V602-V613 HydrophobicContact CG2-CG1 4.42Å; W606-V613 HydrophobicContact CB-CG2 4.08Å; V613-W615 HydrophobicContact CG1-CD2 4.35Å; V613-W615 HydrophobicContact CG1-CZ2 4.1Å; V613-W615 PolarHBondContact O-N 3.48Å
614D71.1Confident76.4Confident98 Ų9877.3 Ų77.352%0.52436%0.357SS..  trans-78.692.2175.7-162.8-18.8000111.8A612 R616 L617 F618A612-D614 PolarHBondContact O-N 3.25Å; D614-R616 PolarHBondContact O-N 3.28Å; D614-R616 VanDerWaalsContact O-N 3.09Å; D614-R616 WeakPolarHBondContact OD1-CB 3.44Å; D614-R616 PolarHBondContact OD1-N 3.22Å; D614-R616 VanDerWaalsContact OD1-N 3.15Å; D614-L617 HydrophobicContact CB-CB 4.37Å; D614-L617 WeakPolarHBondContact O-CB 3.37Å; D614-L617 PolarHBondContact O-N 3.08Å; D614-L617 VanDerWaalsContact O-N 3.08Å; D614-F618 PolarHBondContact O-N 3.35Å
615W79.7Confident76Confident132 Ų13278.1 Ų78.150%0.536%0.36SS..Hα-helixtrans-58.4-20.7-179.6-71.697.1000114.4W606 V613 F618 R619W606-W615 AromaticContact CE3-CZ2 3.78Å; W606-W615 HydrophobicContact CE3-CZ2 3.78Å; W606-W615 AromaticContact CZ3-CZ2 3.52Å; W606-W615 HydrophobicContact CZ3-CZ2 3.52Å; W606-W615 AromaticContact CZ3-NE1 3.95Å; V613-W615 HydrophobicContact CG1-CD2 4.35Å; V613-W615 HydrophobicContact CG1-CZ2 4.1Å; V613-W615 PolarHBondContact O-N 3.48Å; W615-F618 HydrophobicContact CE3-CD1 4.22Å; W615-F618 HydrophobicContact CZ3-CD1 4.1Å; W615-F618 HydrophobicContact CZ3-CE1 4.49Å; W615-R619 WeakPolarHBondContact O-CB 3.41Å; W615-R619 PolarHBondContact O-N 3.4Å; W615-R619 VanDerWaalsContact O-N 3.13Å
616R77.7Confident76.1Confident184 Ų18485.2 Ų85.269%0.69439%0.388SS*.Hα-helixtrans-71.6-42.6175.6-63.9178175.5-173.10.4111.1D614 R619 N620D614-R616 PolarHBondContact O-N 3.28Å; D614-R616 VanDerWaalsContact O-N 3.09Å; D614-R616 WeakPolarHBondContact OD1-CB 3.44Å; D614-R616 PolarHBondContact OD1-N 3.22Å; D614-R616 VanDerWaalsContact OD1-N 3.15Å; R616-R619 PolarHBondContact O-N 2.98Å; R616-N620 PolarHBondContact O-N 3.06Å; R616-N620 PolarHBondContact O-OD1 3.3Å
617L70.2Confident76.4Confident80 Ų8082.6 Ų82.642%0.41939%0.385SS..Hα-helixtrans-59.5-50.9175.7-171.682.7000110.1L562 D614 R619 N620 I621L562-L617 HydrophobicContact CD2-CD2 4.39Å; D614-L617 HydrophobicContact CB-CB 4.37Å; D614-L617 WeakPolarHBondContact O-CB 3.37Å; D614-L617 PolarHBondContact O-N 3.08Å; D614-L617 VanDerWaalsContact O-N 3.08Å; L617-R619 PolarHBondContact O-N 3Å; L617-N620 PolarHBondContact O-N 3.22Å; L617-N620 VanDerWaalsContact O-N 3.15Å; L617-I621 HydrophobicContact CD2-CD1 4.22Å; L617-I621 HydrophobicContact CG-CD1 3.92Å; L617-I621 WeakPolarHBondContact O-CG1 3.23Å; L617-I621 PolarHBondContact O-N 3.07Å
618F73.6Confident76.7Confident63 Ų6380.1 Ų80.128%0.27637%0.372SS..Hα-helixtrans-58.4-44.7179.7-179.8-102.2000112.6V598 V602 D614 W615 N620 I621 F622V598-F618 HydrophobicContact CG1-CD2 3.8Å; V598-F618 HydrophobicContact CG1-CE2 3.98Å; V602-F618 HydrophobicContact CG2-CD2 3.97Å; V602-F618 HydrophobicContact CG2-CE2 4.47Å; D614-F618 PolarHBondContact O-N 3.35Å; W615-F618 HydrophobicContact CE3-CD1 4.22Å; W615-F618 HydrophobicContact CZ3-CD1 4.1Å; W615-F618 HydrophobicContact CZ3-CE1 4.49Å; F618-N620 PolarHBondContact O-N 3.34Å; F618-I621 PolarHBondContact O-N 3.01Å; F618-F622 WeakPolarHBondContact O-CB 3.32Å; F618-F622 PolarHBondContact O-N 2.96Å
619R81.6Confident77.3Confident149 Ų14979.3 Ų79.356%0.56237%0.373SS*.Hα-helixtrans-61.6-42.1176.3-175-172.966-170.9-0.4112.2W615 R616 L617 F622 L623W615-R619 WeakPolarHBondContact O-CB 3.41Å; W615-R619 PolarHBondContact O-N 3.4Å; W615-R619 VanDerWaalsContact O-N 3.13Å; R616-R619 PolarHBondContact O-N 2.98Å; L617-R619 PolarHBondContact O-N 3Å; R619-F622 PolarHBondContact O-N 2.93Å; R619-L623 HydrophobicContact CG-CD1 4.28Å; R619-L623 WeakPolarHBondContact O-CG 3.45Å; R619-L623 PolarHBondContact O-N 3.27Å
620N76.4Confident78.4Confident89 Ų8981.2 Ų81.248%0.47638%0.384SS..Hα-helixtrans-66.5-40.2179.5-67.3-3.6000111.3R616 L617 F618 L623 A624R616-N620 PolarHBondContact O-N 3.06Å; R616-N620 PolarHBondContact O-OD1 3.3Å; L617-N620 PolarHBondContact O-N 3.22Å; L617-N620 VanDerWaalsContact O-N 3.15Å; F618-N620 PolarHBondContact O-N 3.34Å; N620-L623 PolarHBondContact O-N 3.4Å; N620-A624 WeakPolarHBondContact O-CB 3.33Å; N620-A624 PolarHBondContact O-N 3Å
621I73.2Confident79.7Confident14 Ų1476.1 Ų76.17%0.07237%0.366CS..Hα-helixtrans-60.1-49.1173.1-71.3171000110.5P111 V598 L617 F618 L623 A624 W625P111-I621 HydrophobicContact CG-CD1 4.49Å; P111-I621 HydrophobicContact CG-CG1 4.23Å; V598-I621 HydrophobicContact CG2-CD1 4.18Å; V598-I621 HydrophobicContact CG2-CG2 4.36Å; L617-I621 HydrophobicContact CD2-CD1 4.22Å; L617-I621 HydrophobicContact CG-CD1 3.92Å; L617-I621 WeakPolarHBondContact O-CG1 3.23Å; L617-I621 PolarHBondContact O-N 3.07Å; F618-I621 PolarHBondContact O-N 3.01Å; I621-L623 VanDerWaalsContact C-N 3.33Å; I621-L623 PolarHBondContact O-N 3.39Å; I621-A624 WeakPolarHBondContact O-CB 3.36Å; I621-A624 PolarHBondContact O-N 3.12Å; I621-A624 VanDerWaalsContact O-N 3.12Å; I621-W625 HydrophobicContact CG2-CD2 4.3Å; I621-W625 HydrophobicContact CG2-CH2 4.31Å; I621-W625 HydrophobicContact CG2-CZ2 3.36Å; I621-W625 VanDerWaalsContact CG2-NE1 3.28Å; I621-W625 VanDerWaalsContact O-CG 3.27Å; I621-W625 PolarHBondContact O-N 2.86Å
622F81Confident81.2Confident90 Ų9069.3 Ų69.340%0.39534%0.336SS..Hα-helixtrans-59.9-39.4177.5-174.8-91000113.1F148 F618 R619 W625 F626F148-F622 AromaticContact CE1-CE2 4Å; F148-F622 HydrophobicContact CE1-CE2 4Å; F148-F622 HydrophobicContact CE1-CZ 4.27Å; F618-F622 WeakPolarHBondContact O-CB 3.32Å; F618-F622 PolarHBondContact O-N 2.96Å; R619-F622 PolarHBondContact O-N 2.93Å; F622-W625 HydrophobicContact CB-CE3 4.45Å; F622-W625 AromaticContact CD2-CE3 3.8Å; F622-W625 HydrophobicContact CD2-CE3 3.8Å; F622-W625 AromaticContact CD2-CZ3 3.93Å; F622-W625 HydrophobicContact CD2-CZ3 3.93Å; F622-W625 HydrophobicContact CG-CE3 4.46Å; F622-W625 WeakPolarHBondContact O-CB 3.3Å; F622-W625 PolarHBondContact O-N 3.3Å; F622-F626 PolarHBondContact O-N 3.38Å
623L83.9Confident82.8Confident95 Ų9568 Ų6850%0.49733%0.326SS..Hα-helixtrans-65.7-42.5173.9-72.2169.1000111.8R619 N620 I621 W625 F626 V627R619-L623 HydrophobicContact CG-CD1 4.28Å; R619-L623 WeakPolarHBondContact O-CG 3.45Å; R619-L623 PolarHBondContact O-N 3.27Å; N620-L623 PolarHBondContact O-N 3.4Å; I621-L623 VanDerWaalsContact C-N 3.33Å; I621-L623 PolarHBondContact O-N 3.39Å; L623-W625 VanDerWaalsContact C-N 3.25Å; L623-W625 PolarHBondContact O-N 2.85Å; L623-F626 PolarHBondContact O-N 3.3Å; L623-V627 WeakPolarHBondContact O-CG2 3Å; L623-V627 PolarHBondContact O-N 3.07Å
624A80.1Confident84.3Confident20 Ų2073.2 Ų73.217%0.16535%0.353CS..Hα-helixtrans-60.7-35.1176.400000112.2N620 I621 T628N620-A624 WeakPolarHBondContact O-CB 3.33Å; N620-A624 PolarHBondContact O-N 3Å; I621-A624 WeakPolarHBondContact O-CB 3.36Å; I621-A624 PolarHBondContact O-N 3.12Å; I621-A624 VanDerWaalsContact O-N 3.12Å; A624-T628 VanDerWaalsContact O-CB 3.26Å; A624-T628 WeakPolarHBondContact O-CB 3.3Å; A624-T628 PolarHBondContact O-N 3.37Å; A624-T628 PolarHBondContact O-OG1 3.09Å
625W79.8Confident85.5Confident19 Ų1972.3 Ų72.37%0.07234%0.344CS..Hα-helixtrans-61.2-46.9174.5-61-12.6000112.5H116 H595 V598 I621 F622 L623 T628H116-W625 PolarHBondContact ND1-O 3.15Å; H595-W625 HydrophobicContact CB-CH2 4.34Å; H595-W625 HydrophobicContact CB-CZ2 4.27Å; H595-W625 AromaticContact CD2-CD2 3.73Å; H595-W625 AromaticContact CD2-CE2 3.21Å; H595-W625 AromaticContact CD2-CZ2 3.38Å; H595-W625 WeakPolarHBondContact CD2-CZ2 3.44Å; H595-W625 AromaticContact CD2-NE1 3.44Å; H595-W625 PolarHBondContact CD2-NE1 3.42Å; H595-W625 AromaticContact CE1-CD2 3.59Å; H595-W625 AromaticContact CE1-CE2 3.91Å; H595-W625 AromaticContact CE1-CE3 3.69Å; H595-W625 AromaticContact CG-CE2 3.92Å; H595-W625 AromaticContact CG-CH2 3.88Å; H595-W625 AromaticContact CG-CZ2 3.69Å; H595-W625 AromaticContact NE2-CD1 3.49Å; H595-W625 AromaticContact NE2-CD2 3.23Å; H595-W625 AromaticContact NE2-CE2 3.24Å; H595-W625 AromaticContact NE2-CE3 3.82Å; H595-W625 AromaticContact NE2-CG 3.4Å; H595-W625 AromaticContact NE2-CZ2 3.85Å; H595-W625 AromaticContact NE2-NE1 3.4Å; H595-W625 PolarHBondContact NE2-NE1 3.42Å; V598-W625 HydrophobicContact CB-CZ2 4.49Å; V598-W625 HydrophobicContact CG1-CH2 4.49Å; V598-W625 HydrophobicContact CG1-CZ2 4.41Å; I621-W625 HydrophobicContact CG2-CD2 4.3Å; I621-W625 HydrophobicContact CG2-CH2 4.31Å; I621-W625 HydrophobicContact CG2-CZ2 3.36Å; I621-W625 VanDerWaalsContact CG2-NE1 3.28Å; I621-W625 VanDerWaalsContact O-CG 3.27Å; I621-W625 PolarHBondContact O-N 2.86Å; F622-W625 HydrophobicContact CB-CE3 4.45Å; F622-W625 AromaticContact CD2-CE3 3.8Å; F622-W625 HydrophobicContact CD2-CE3 3.8Å; F622-W625 AromaticContact CD2-CZ3 3.93Å; F622-W625 HydrophobicContact CD2-CZ3 3.93Å; F622-W625 HydrophobicContact CG-CE3 4.46Å; F622-W625 WeakPolarHBondContact O-CB 3.3Å; F622-W625 PolarHBondContact O-N 3.3Å; L623-W625 VanDerWaalsContact C-N 3.25Å; L623-W625 PolarHBondContact O-N 2.85Å; W625-T628 PolarHBondContact O-N 3.02Å
626F85.5Confident86.4Confident162 Ų16266 Ų6671%0.71132%0.32SS*.Hα-helixtrans-71.4-33.3-179.7-167.9-94.3000112.7F622 L623 P630F622-F626 PolarHBondContact O-N 3.38Å; L623-F626 PolarHBondContact O-N 3.3Å; F626-P630 WeakPolarHBondContact O-CD 3.37Å; F626-P630 WeakPolarHBondContact O-CG 3.45Å
627V90.4Very high87.3Confident68 Ų6858.2 Ų58.241%0.41230%0.295SS..Hα-helixtrans-73.8-32.3176172.20000112.1W101 L623 V629 P630 V631W101-V627 HydrophobicContact CZ2-CG1 4.36Å; L623-V627 WeakPolarHBondContact O-CG2 3Å; L623-V627 PolarHBondContact O-N 3.07Å; V627-V629 PolarHBondContact O-N 3.43Å; V627-P630 VanDerWaalsContact O-CD 3.28Å; V627-P630 WeakPolarHBondContact O-CD 3.4Å; V627-P630 WeakPolarHBondContact O-CG 3.48Å; V627-V631 HydrophobicContact CG1-CG2 3.79Å; V627-V631 WeakPolarHBondContact O-CB 3.23Å; V627-V631 VanDerWaalsContact O-CG2 3.26Å; V627-V631 WeakPolarHBondContact O-CG2 3.43Å; V627-V631 PolarHBondContact O-N 3.03Å
628T91.9Very high88.6Confident1 Ų156.6 Ų56.61%0.00630%0.297CS..Hα-helixtrans-61.1-45.7-175.5-73.60000113.4W101 H116 C117 A624 W625 V631 A632W101-T628 PolarHBondContact NE1-OG1 2.96Å; W101-T628 VanDerWaalsContact NE1-OG1 3.17Å; H116-T628 HydrophobicContact CB-CG2 3.65Å; C117-T628 HydrophobicContact CB-CG2 4.47Å; C117-T628 WeakPolarHBondContact SG-CG2 3.46Å; A624-T628 VanDerWaalsContact O-CB 3.26Å; A624-T628 WeakPolarHBondContact O-CB 3.3Å; A624-T628 PolarHBondContact O-N 3.37Å; A624-T628 PolarHBondContact O-OG1 3.09Å; W625-T628 PolarHBondContact O-N 3.02Å; T628-V631 PolarHBondContact O-N 3.34Å; T628-A632 WeakPolarHBondContact O-CB 3.4Å; T628-A632 PolarHBondContact O-N 3.49Å
629V92.9Very high89.7Confident33 Ų3355.5 Ų55.520%0.230%0.296CS..Hα-helixtrans-60.1-55.1-177.5179.60000112.6H116 G120 W147 V627 G633H116-V629 HydrophobicContact CB-CG2 3.89Å; G120-V629 WeakPolarHBondContact CA-O 3.36Å; W147-V629 HydrophobicContact CH2-CG2 4.03Å; W147-V629 HydrophobicContact CZ3-CG2 3.89Å; V627-V629 PolarHBondContact O-N 3.43Å; V629-G633 PolarHBondContact O-N 2.89Å
630P95Very high90.4Very high68 Ų6848.4 Ų48.444%0.44227%0.269SS..Hα-helixtrans-67.7-34.6179.126.7-34.6000112.9F626 V627 G633 L634F626-P630 WeakPolarHBondContact O-CD 3.37Å; F626-P630 WeakPolarHBondContact O-CG 3.45Å; V627-P630 VanDerWaalsContact O-CD 3.28Å; V627-P630 WeakPolarHBondContact O-CD 3.4Å; V627-P630 WeakPolarHBondContact O-CG 3.48Å; P630-G633 PolarHBondContact O-N 3.34Å; P630-L634 WeakPolarHBondContact O-CB 3.25Å; P630-L634 VanDerWaalsContact O-CG 3.27Å; P630-L634 WeakPolarHBondContact O-CG 3.4Å; P630-L634 PolarHBondContact O-N 2.82Å
631V95.8Very high91.4Very high37 Ų3745.7 Ų45.722%0.22426%0.259CS..Hα-helixtrans-70.1-45.2-179.5176.40000111.6W101 V627 T628 G633 L634 F635W101-V631 HydrophobicContact CD2-CB 4.23Å; W101-V631 HydrophobicContact CD2-CG1 3.67Å; W101-V631 HydrophobicContact CE3-CB 4.32Å; W101-V631 HydrophobicContact CE3-CG1 3.36Å; W101-V631 HydrophobicContact CG-CG1 4.31Å; W101-V631 HydrophobicContact CH2-CG1 4.12Å; W101-V631 HydrophobicContact CZ2-CB 4.46Å; W101-V631 HydrophobicContact CZ2-CG1 4.4Å; W101-V631 HydrophobicContact CZ3-CB 4.47Å; W101-V631 HydrophobicContact CZ3-CG1 3.62Å; V627-V631 HydrophobicContact CG1-CG2 3.79Å; V627-V631 WeakPolarHBondContact O-CB 3.23Å; V627-V631 VanDerWaalsContact O-CG2 3.26Å; V627-V631 WeakPolarHBondContact O-CG2 3.43Å; V627-V631 PolarHBondContact O-N 3.03Å; T628-V631 PolarHBondContact O-N 3.34Å; V631-G633 VanDerWaalsContact C-N 3.29Å; V631-G633 PolarHBondContact O-N 3.46Å; V631-L634 PolarHBondContact O-N 3.26Å; V631-F635 HydrophobicContact CG1-CD2 3.92Å; V631-F635 HydrophobicContact CG1-CE2 3.6Å; V631-F635 VanDerWaalsContact O-CD2 3.25Å; V631-F635 WeakPolarHBondContact O-CD2 3.26Å; V631-F635 PolarHBondContact O-N 2.84Å; V631-F635 VanDerWaalsContact O-N 3.09Å
632A96Very high92.5Very high0 Ų050 Ų500%028%0.281CS..Hα-helixtrans-62.5-3817300000111.8W101 C117 A121 T628 F635 S636W101-A632 HydrophobicContact CB-CB 4.29Å; W101-A632 HydrophobicContact CG-CB 4.48Å; C117-A632 HydrophobicContact CB-CB 4.26Å; C117-A632 WeakPolarHBondContact O-CB 3.08Å; A121-A632 HydrophobicContact CB-CB 4.49Å; T628-A632 WeakPolarHBondContact O-CB 3.4Å; T628-A632 PolarHBondContact O-N 3.49Å; A632-F635 PolarHBondContact O-N 3.43Å; A632-S636 WeakPolarHBondContact O-CB 3.45Å; A632-S636 PolarHBondContact O-N 3.19Å
633G96.6Very high93.1Very high9 Ų946.1 Ų46.19%0.09327%0.265CS..Hα-helixtrans-60.3-44172.400000113.6G120 G124 V629 P630 V631 S636 A637G120-G633 WeakPolarHBondContact O-CA 3.16Å; G124-G633 WeakPolarHBondContact CA-O 3.49Å; V629-G633 PolarHBondContact O-N 2.89Å; P630-G633 PolarHBondContact O-N 3.34Å; V631-G633 VanDerWaalsContact C-N 3.29Å; V631-G633 PolarHBondContact O-N 3.46Å; G633-S636 PolarHBondContact O-N 3.45Å; G633-A637 VanDerWaalsContact O-CB 3.23Å; G633-A637 WeakPolarHBondContact O-CB 3.45Å; G633-A637 PolarHBondContact O-N 3.45Å
634L97.4Very high93.5Very high127 Ų12743.8 Ų43.867%0.66525%0.252SS*.Hα-helixtrans-66-42.1177.9-75.6169.8000112.5P630 V631 A637 G638P630-L634 WeakPolarHBondContact O-CB 3.25Å; P630-L634 VanDerWaalsContact O-CG 3.27Å; P630-L634 WeakPolarHBondContact O-CG 3.4Å; P630-L634 PolarHBondContact O-N 2.82Å; V631-L634 PolarHBondContact O-N 3.26Å; L634-A637 PolarHBondContact O-N 3.45Å; L634-G638 PolarHBondContact O-N 3.46Å
635F97.7Very high94.1Very high79 Ų7950 Ų5035%0.34627%0.272SS..Hα-helixtrans-61.9-45.1173.9-76.8-62.7000111.4V100 W101 I104 V631 A632 G638 V639V100-F635 HydrophobicContact CG1-CD1 4.04Å; V100-F635 HydrophobicContact CG1-CD2 4.3Å; V100-F635 HydrophobicContact CG1-CE1 3.94Å; V100-F635 HydrophobicContact CG1-CE2 4.2Å; V100-F635 HydrophobicContact CG1-CG 4.23Å; V100-F635 HydrophobicContact CG1-CZ 4.02Å; W101-F635 HydrophobicContact CB-CD2 4.28Å; W101-F635 HydrophobicContact CE3-CE2 4.18Å; I104-F635 HydrophobicContact CD1-CE2 4.32Å; I104-F635 HydrophobicContact CD1-CZ 4.06Å; V631-F635 HydrophobicContact CG1-CD2 3.92Å; V631-F635 HydrophobicContact CG1-CE2 3.6Å; V631-F635 VanDerWaalsContact O-CD2 3.25Å; V631-F635 WeakPolarHBondContact O-CD2 3.26Å; V631-F635 PolarHBondContact O-N 2.84Å; V631-F635 VanDerWaalsContact O-N 3.09Å; A632-F635 PolarHBondContact O-N 3.43Å; F635-G638 PolarHBondContact O-N 3.4Å; F635-V639 WeakPolarHBondContact O-CG2 3.28Å; F635-V639 PolarHBondContact O-N 2.99Å; F635-V639 VanDerWaalsContact O-N 3.07Å
636S97.8Very high94.6Very high0 Ų051 Ų510%029%0.289CS..Hα-helixtrans-64-43.1177.7-164.60000112.7S93 A94 A121 A632 G633 G638 V639 M640S93-S636 WeakPolarHBondContact O-CB 3.46Å; S93-S636 PolarHBondContact O-OG 2.98Å; A94-S636 WeakPolarHBondContact CA-OG 3.29Å; A94-S636 PolarHBondContact N-OG 3.48Å; A121-S636 VanDerWaalsContact O-CB 3.22Å; A121-S636 WeakPolarHBondContact O-CB 3.15Å; A121-S636 PolarHBondContact O-OG 3.11Å; A632-S636 WeakPolarHBondContact O-CB 3.45Å; A632-S636 PolarHBondContact O-N 3.19Å; G633-S636 PolarHBondContact O-N 3.45Å; S636-G638 VanDerWaalsContact C-N 3.33Å; S636-G638 PolarHBondContact O-N 3.04Å; S636-V639 PolarHBondContact O-N 3.11Å; S636-M640 WeakPolarHBondContact O-CB 3.27Å; S636-M640 PolarHBondContact O-N 3.39Å
637A97.3Very high94.8Very high20 Ų2046 Ų4617%0.16527%0.269CS..Hα-helixtrans-59.8-41.6175.200000112.2V128 G633 L634 M640 A641V128-A637 HydrophobicContact CG2-CB 3.65Å; G633-A637 VanDerWaalsContact O-CB 3.23Å; G633-A637 WeakPolarHBondContact O-CB 3.45Å; G633-A637 PolarHBondContact O-N 3.45Å; L634-A637 PolarHBondContact O-N 3.45Å; A637-M640 PolarHBondContact O-N 3.32Å; A637-A641 WeakPolarHBondContact O-CB 3.29Å; A637-A641 PolarHBondContact O-N 2.91Å
638G97.1Very high94.6Very high45 Ų4544 Ų4446%0.46426%0.256SS..Hα-helixtrans-64.8-42.8176.200000113.2L634 F635 S636 L642L634-G638 PolarHBondContact O-N 3.46Å; F635-G638 PolarHBondContact O-N 3.4Å; S636-G638 VanDerWaalsContact C-N 3.33Å; S636-G638 PolarHBondContact O-N 3.04Å; G638-L642 PolarHBondContact O-N 2.84Å; G638-L642 VanDerWaalsContact O-N 3.1Å
639V97Very high94.4Very high40 Ų4048 Ų4824%0.24228%0.281CS..Hα-helixtrans-65.7-40.4174.8177.20000110.9V96 F635 S636 L642 L643V96-V639 HydrophobicContact CB-CG1 4.34Å; V96-V639 HydrophobicContact CB-CG2 4.23Å; V96-V639 HydrophobicContact CG1-CG2 3.72Å; F635-V639 WeakPolarHBondContact O-CG2 3.28Å; F635-V639 PolarHBondContact O-N 2.99Å; F635-V639 VanDerWaalsContact O-N 3.07Å; S636-V639 PolarHBondContact O-N 3.11Å; V639-L642 PolarHBondContact O-N 2.86Å; V639-L643 HydrophobicContact CG1-CD1 3.92Å; V639-L643 PolarHBondContact O-N 3.27Å
640M96.7Very high94Very high0 Ų055.3 Ų55.30%031%0.307CS..Hα-helixtrans-65.3-42.8178.3-171.856.5-178.400112.1L86 A89 S93 F125 V128 A129 S636 A637 L642 L643 M644L86-M640 HydrophobicContact CD1-CE 3.43Å; L86-M640 VanDerWaalsContact CD1-CE 3.43Å; L86-M640 HydrophobicContact CG-CE 3.63Å; L86-M640 VanDerWaalsContact O-CE 3.23Å; L86-M640 WeakPolarHBondContact O-CE 3.38Å; A89-M640 HydrophobicContact CB-CE 4.35Å; A89-M640 HydrophobicContact CB-SD 4.14Å; S93-M640 VanDerWaalsContact OG-CA 3.3Å; S93-M640 WeakPolarHBondContact OG-CA 3.37Å; S93-M640 PolarHBondContact OG-N 3.3Å; F125-M640 HydrophobicContact CB-CB 3.8Å; F125-M640 HydrophobicContact CB-CG 3.84Å; F125-M640 HydrophobicContact CB-SD 4.36Å; V128-M640 HydrophobicContact CB-CB 4.33Å; V128-M640 HydrophobicContact CB-CG 4.11Å; V128-M640 HydrophobicContact CG1-CB 4.25Å; V128-M640 HydrophobicContact CG1-CG 3.99Å; A129-M640 HydrophobicContact CB-CE 3.58Å; S636-M640 WeakPolarHBondContact O-CB 3.27Å; S636-M640 PolarHBondContact O-N 3.39Å; A637-M640 PolarHBondContact O-N 3.32Å; M640-L642 VanDerWaalsContact C-N 3.32Å; M640-L642 PolarHBondContact O-N 3.27Å; M640-L643 PolarHBondContact O-N 2.89Å; M640-M644 WeakPolarHBondContact O-CB 3.32Å; M640-M644 PolarHBondContact O-N 2.98Å
641A96.1Very high93.2Very high32 Ų3256 Ų5626%0.26431%0.31SS..Hα-helixtrans-61.6-40.7174.800000111.6V128 A637 Y645V128-A641 HydrophobicContact CG1-CB 4.21Å; A637-A641 WeakPolarHBondContact O-CB 3.29Å; A637-A641 PolarHBondContact O-N 2.91Å; A641-Y645 HydrophobicContact CB-CD2 4.22Å; A641-Y645 HydrophobicContact CB-CE2 4.43Å; A641-Y645 WeakPolarHBondContact O-CB 3.49Å; A641-Y645 VanDerWaalsContact O-CD2 3.26Å; A641-Y645 WeakPolarHBondContact O-CD2 3.38Å; A641-Y645 PolarHBondContact O-N 2.83Å
642L95.8Very high93.1Very high104 Ų10457 Ų5755%0.54531%0.314SS..Hα-helixtrans-63.2-45.1175.6-175.4154.6000111.7G638 V639 M640 G646 I647G638-L642 PolarHBondContact O-N 2.84Å; G638-L642 VanDerWaalsContact O-N 3.1Å; V639-L642 PolarHBondContact O-N 2.86Å; M640-L642 VanDerWaalsContact C-N 3.32Å; M640-L642 PolarHBondContact O-N 3.27Å; L642-G646 CarbonylContact O-C 3.56Å; L642-G646 WeakPolarHBondContact O-CA 3.29Å; L642-G646 PolarHBondContact O-N 3.38Å; L642-I647 HydrophobicContact CD2-CD1 3.6Å; L642-I647 HydrophobicContact CD2-CG1 4.14Å; L642-I647 PolarHBondContact O-N 3.31Å
643L94.3Very high92.9Very high9 Ų959.9 Ų59.95%0.04733%0.33CS..Hα-helixtrans-66.3-47.6177.6-74.6164.1000111.8W8 A89 V92 S93 V639 M640 I647 L648W8-L643 HydrophobicContact CH2-CD2 3.81Å; W8-L643 HydrophobicContact CZ3-CD2 4.37Å; A89-L643 HydrophobicContact CB-CB 4.06Å; A89-L643 HydrophobicContact CB-CD1 4.05Å; V92-L643 HydrophobicContact CG1-CD1 4.48Å; S93-L643 WeakPolarHBondContact OG-CD1 3.17Å; V639-L643 HydrophobicContact CG1-CD1 3.92Å; V639-L643 PolarHBondContact O-N 3.27Å; M640-L643 PolarHBondContact O-N 2.89Å; L643-I647 HydrophobicContact CD2-CB 4.45Å; L643-I647 HydrophobicContact CD2-CD1 4.02Å; L643-I647 PolarHBondContact O-N 3.45Å; L643-L648 WeakPolarHBondContact O-CB 3.26Å; L643-L648 WeakPolarHBondContact O-CG 3.44Å; L643-L648 PolarHBondContact O-N 3.1Å
644M92.9Very high92.7Very high46 Ų4662.8 Ų62.823%0.22734%0.344CS..Hα-helixtrans-67.9-40.9-175.4-178.8176.5179.100113.7L86 V128 M640 P649L86-M644 HydrophobicContact CD1-CB 4.14Å; L86-M644 HydrophobicContact CD1-CG 3.78Å; L86-M644 HydrophobicContact CD1-SD 4.02Å; V128-M644 HydrophobicContact CG1-SD 4.43Å; M640-M644 WeakPolarHBondContact O-CB 3.32Å; M640-M644 PolarHBondContact O-N 2.98Å; M644-P649 WeakPolarHBondContact O-CD 3.31Å; M644-P649 VanDerWaalsContact O-CG 3.29Å; M644-P649 WeakPolarHBondContact O-CG 3.42Å
645Y92Very high92.4Very high150 Ų15059 Ų5959%0.58833%0.325SS*.Hα-helixtrans-102.1-23.5-176.6-59.1-63.6000113.8A641A641-Y645 HydrophobicContact CB-CD2 4.22Å; A641-Y645 HydrophobicContact CB-CE2 4.43Å; A641-Y645 WeakPolarHBondContact O-CB 3.49Å; A641-Y645 VanDerWaalsContact O-CD2 3.26Å; A641-Y645 WeakPolarHBondContact O-CD2 3.38Å; A641-Y645 PolarHBondContact O-N 2.83Å
646G89.8Confident92.1Very high41 Ų4157.8 Ų57.842%0.42332%0.323SS..Hα-helixtrans-109.4-18.8-171.800000115.9L642 Y650L642-G646 CarbonylContact O-C 3.56Å; L642-G646 WeakPolarHBondContact O-CA 3.29Å; L642-G646 PolarHBondContact O-N 3.38Å; G646-Y650 WeakPolarHBondContact O-CD2 3.17Å
647I90Very high91.7Very high57 Ų5761.6 Ų61.629%0.29235%0.345SS..THydrogen-bonded Turntrans-124.6-59.9-175.9-61.5-178.9000111.7W8 L642 L643 P649 Y650 V651W8-I647 HydrophobicContact CH2-CG2 3.84Å; W8-I647 HydrophobicContact CZ2-CG2 3.84Å; L642-I647 HydrophobicContact CD2-CD1 3.6Å; L642-I647 HydrophobicContact CD2-CG1 4.14Å; L642-I647 PolarHBondContact O-N 3.31Å; L643-I647 HydrophobicContact CD2-CB 4.45Å; L643-I647 HydrophobicContact CD2-CD1 4.02Å; L643-I647 PolarHBondContact O-N 3.45Å; I647-P649 VanDerWaalsContact C-N 3.29Å; I647-P649 VanDerWaalsContact O-N 3.16Å; I647-Y650 PolarHBondContact O-N 2.91Å; I647-V651 HydrophobicContact CG2-CG2 4.01Å; I647-V651 PolarHBondContact O-N 3.16Å
648L87.8Confident91.3Very high27 Ų2764.6 Ų64.614%0.14136%0.358CS..G310 helixtrans-55.2-29.5-177.1-72.6173.7000115.5Y6 M9 P85 L86 A89 L643 Y650Y6-L648 HydrophobicContact CE1-CD2 4.29Å; M9-L648 HydrophobicContact CE-CD2 4.33Å; M9-L648 HydrophobicContact SD-CD2 4.42Å; P85-L648 HydrophobicContact CB-CD2 4.23Å; L86-L648 HydrophobicContact CD1-CD1 4.17Å; A89-L648 HydrophobicContact CB-CD1 3.73Å; L643-L648 WeakPolarHBondContact O-CB 3.26Å; L643-L648 WeakPolarHBondContact O-CG 3.44Å; L643-L648 PolarHBondContact O-N 3.1Å; L648-Y650 PolarHBondContact O-N 2.98Å
649P87.1Confident90.9Very high83 Ų8366.1 Ų66.154%0.53935%0.35SS..G310 helixtrans-73.2-6.9174-20.635.2000115M644 I647M644-P649 WeakPolarHBondContact O-CD 3.31Å; M644-P649 VanDerWaalsContact O-CG 3.29Å; M644-P649 WeakPolarHBondContact O-CG 3.42Å; I647-P649 VanDerWaalsContact C-N 3.29Å; I647-P649 VanDerWaalsContact O-N 3.16Å
650Y83.4Confident90.4Very high187 Ų18768.3 Ų68.373%0.73336%0.359SS*.G310 helixtrans-122.26-175.1-53.2-80000113.2G646 I647 L648G646-Y650 WeakPolarHBondContact O-CD2 3.17Å; I647-Y650 PolarHBondContact O-N 2.91Å; L648-Y650 PolarHBondContact O-N 2.98Å
651V78.8Confident89.8Confident83 Ų8374.5 Ų74.550%0.50339%0.391SS..  trans-109.60172.5178.50000107.7Y6 I647Y6-V651 HydrophobicContact CD1-CG1 4.2Å; Y6-V651 HydrophobicContact CE1-CG1 3.81Å; I647-V651 HydrophobicContact CG2-CG2 4.01Å; I647-V651 PolarHBondContact O-N 3.16Å

Retrieved 651 of 651 residues in 1164 ms (Link to these results)

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