G4VGE8_SCHMA Loading...

26S proteasome non-ATPase regulatory subunit 6

AlphaFold DB , UniProt , Accession G4VGE8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 391 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
1M40.1Very low46.6Very low181 Ų181108.3 Ų108.389%0.89254%0.541SS*.  0143.30-67.1-151.6-8200107.5L3M1-L3 PolarHBondContact O-N 3.07Å
2P42.5Very low47.3Very low78 Ų78110.4 Ų110.451%0.50655%0.548SS..  trans-55.1130.3176.822.4-30.6000108.8E4 R5P2-E4 PolarHBondContact O-N 3.23Å; P2-R5 PolarHBondContact O-N 3.42Å
3L45.1Very low48.3Very low120 Ų120108.5 Ų108.563%0.62853%0.534SS*.G310 helixtrans-48.8-26.6-178.7-85.8134.6000112.9M1 R5 L6 Y218M1-L3 PolarHBondContact O-N 3.07Å; L3-R5 VanDerWaalsContact C-N 3.3Å; L3-R5 PolarHBondContact O-N 2.95Å; L3-L6 PolarHBondContact O-N 2.96Å; L3-Y218 HydrophobicContact CD2-CD1 4.49Å
4E41.7Very low49Very low152 Ų152102.9 Ų102.971%0.7151%0.507SS*.G310 helixtrans-62.9-28.5177.9-62.9173.1175.500113.4P2 L6 E7P2-E4 PolarHBondContact O-N 3.23Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 2.91Å; E4-E7 PolarHBondContact O-N 3.15Å
5R35.5Very low49.7Very low161 Ų16196.3 Ų96.361%0.60848%0.475SS*.G310 helixtrans-72.3-19.8176.4-96-174179.9168.50.9114P2 L3 E7P2-R5 PolarHBondContact O-N 3.42Å; L3-R5 VanDerWaalsContact C-N 3.3Å; L3-R5 PolarHBondContact O-N 2.95Å; R5-E7 VanDerWaalsContact C-N 3.34Å
6L46.3Very low50.6Low65 Ų6593.2 Ų93.234%0.3446%0.461SS..G310 helixtrans-78.4-22.2176.7-75108.2000112.2L3 E4 D8 E9 Y213L3-L6 PolarHBondContact O-N 2.96Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 2.91Å; L6-D8 PolarHBondContact O-N 2.97Å; L6-E9 PolarHBondContact O-N 3.38Å; L6-Y213 HydrophobicContact CB-CE2 4.02Å; L6-Y213 WeakPolarHBondContact CB-OH 3.2Å; L6-Y213 WeakPolarHBondContact O-CD2 3.28Å; L6-Y213 WeakPolarHBondContact O-CE2 3.49Å
7E49.2Very low51.6Low85 Ų8588.5 Ų88.540%0.39744%0.438SS..G310 helixtrans-65.3-25.8178.9-64.4-167.2-165.700112.7E4 R5 E9 Y213E4-E7 PolarHBondContact O-N 3.15Å; R5-E7 VanDerWaalsContact C-N 3.34Å; E7-E9 VanDerWaalsContact C-N 3.32Å; E7-Y213 HydrophobicContact CG-CD1 4.25Å; E7-Y213 HydrophobicContact CG-CE1 4.25Å
8D46.8Very low52.5Low139 Ų13989.6 Ų89.674%0.74344%0.44SS*.G310 helixtrans-75.9-16.8179.8-66.4-30.3000113.1L6 G10L6-D8 PolarHBondContact O-N 2.97Å; D8-G10 VanDerWaalsContact C-N 3.35Å
9E51.7Low53.3Low131 Ų13185 Ų8561%0.61242%0.417SS*.G310 helixtrans-85.2-5.5179.1-65.8-172.2166.700113.4L6 E7L6-E9 PolarHBondContact O-N 3.38Å; E7-E9 VanDerWaalsContact C-N 3.32Å
10G55.4Low54Low19 Ų1980.9 Ų80.920%0.19640%0.398CS..SBendtrans-76.6149.8175.600000112.7D8D8-G10 VanDerWaalsContact C-N 3.35Å
11L58.3Low54.8Low60 Ų6079.4 Ų79.431%0.31439%0.39SS..PPolyproline II helixtrans-63.1160.9169.8-50.7166.6000109.5K13 R181 E214L11-K13 PolarHBondContact O-N 3.33Å; L11-R181 VanDerWaalsContact CG-NH1 3.33Å; L11-E214 VanDerWaalsContact CB-CD 3.4Å; L11-E214 HydrophobicContact CB-CG 3.84Å; L11-E214 WeakPolarHBondContact CB-OE1 3.32Å; L11-E214 WeakPolarHBondContact CD1-OE1 3.32Å; L11-E214 WeakPolarHBondContact CG-OE1 3.23Å; L11-E214 PolarHBondContact N-OE1 3.12Å; L11-E214 VanDerWaalsContact O-CG 3.23Å; L11-E214 WeakPolarHBondContact O-CG 3.49Å
12E54.9Low56.2Low134 Ų13473.6 Ų73.663%0.62636%0.358SS*.PPolyproline II helixtrans-51.9134.9179.5-60.8-175.5169.500111.5I14 R148E12-I14 HydrophobicContact CB-CD1 3.99Å; E12-I14 HydrophobicContact CB-CG1 4.12Å; E12-I14 PolarHBondContact O-N 2.94Å; E12-I14 WeakPolarHBondContact OE2-CD1 3.45Å; E12-R148 PolarHBondContact O-NH1 3.37Å
13K60.2Low57.4Low86 Ų8670 Ų7037%0.37433%0.334SS..  trans-72.465.3-178.9-68.6171179.4157.50110.6L11 N16L11-K13 PolarHBondContact O-N 3.33Å; K13-N16 PolarHBondContact O-OD1 3.33Å; K13-N16 VanDerWaalsContact O-OD1 3.08Å
14I58.5Low58.7Low29 Ų2967.1 Ų67.115%0.14932%0.317CS..  trans-133.3116.3-177.4-52.6175.1000108.5E12 H111 K115 R148E12-I14 HydrophobicContact CB-CD1 3.99Å; E12-I14 HydrophobicContact CB-CG1 4.12Å; E12-I14 PolarHBondContact O-N 2.94Å; E12-I14 WeakPolarHBondContact OE2-CD1 3.45Å; I14-H111 HydrophobicContact CG2-CB 4.44Å; I14-H111 WeakPolarHBondContact CG2-O 2.91Å; I14-K115 HydrophobicContact CG2-CB 3.91Å; I14-R148 PolarHBondContact O-NH1 2.64Å
15P59.3Low59.8Low4 Ų462.6 Ų62.63%0.02629%0.293CS..SBendcis-70.8150.6-6.1-14.229000113.6L17 I149 F152P15-L17 PolarHBondContact O-N 2.92Å; P15-I149 HydrophobicContact CG-CG1 3.99Å; P15-F152 HydrophobicContact CB-CD2 4.15Å; P15-F152 HydrophobicContact CB-CG 4.31Å
16N63.9Low61.1Low47 Ų4755.2 Ų55.225%0.25127%0.267SS..  trans-68.390.3174.8-88.2-38.6000111.2K13 K18 L19 D50K13-N16 PolarHBondContact O-OD1 3.33Å; K13-N16 VanDerWaalsContact O-OD1 3.08Å; N16-K18 PolarHBondContact O-N 3.31Å; N16-L19 HydrophobicContact CB-CB 4.27Å; N16-L19 VanDerWaalsContact O-CB 3.24Å; N16-L19 WeakPolarHBondContact O-CB 3.42Å; N16-L19 PolarHBondContact O-N 2.91Å; N16-D50 PolarHBondContact ND2-OD2 3.35Å
17L67.8Low62.1Low13 Ų1354.4 Ų54.47%0.06827%0.274CS..Hα-helixtrans-59.4-28178.7-71.6165.2000113.3P15 L19 A20 Q21 F151 F152 L215P15-L17 PolarHBondContact O-N 2.92Å; L17-L19 PolarHBondContact O-N 2.88Å; L17-A20 PolarHBondContact O-N 3.13Å; L17-Q21 PolarHBondContact O-N 2.86Å; L17-Q21 VanDerWaalsContact O-N 3.13Å; L17-F151 HydrophobicContact CD2-CB 4.03Å; L17-F152 HydrophobicContact CD2-CB 4.14Å; L17-L215 HydrophobicContact CD1-CD2 3.59Å
18K68.6Low63Low109 Ų10951.6 Ų51.647%0.47426%0.262SS..Hα-helixtrans-56.9-36.8173.1-67.2-175.1-179.8-179.10112.1N16 A20 Q21 W22N16-K18 PolarHBondContact O-N 3.31Å; K18-A20 VanDerWaalsContact C-N 3.35Å; K18-Q21 WeakPolarHBondContact O-CB 3.49Å; K18-Q21 PolarHBondContact O-N 3.35Å; K18-W22 HydrophobicContact CB-CH2 4.47Å; K18-W22 HydrophobicContact CB-CZ2 4.17Å; K18-W22 VanDerWaalsContact O-CG 3.25Å; K18-W22 PolarHBondContact O-N 3.1Å
19L66.8Low63.7Low2 Ų254.4 Ų54.41%0.0127%0.271CS..Hα-helixtrans-65.1-42.5-179.2-164.1158.2000110.3N16 L17 Q21 W22 A23 C46 I47 M52 Y55N16-L19 HydrophobicContact CB-CB 4.27Å; N16-L19 VanDerWaalsContact O-CB 3.24Å; N16-L19 WeakPolarHBondContact O-CB 3.42Å; N16-L19 PolarHBondContact O-N 2.91Å; L17-L19 PolarHBondContact O-N 2.88Å; L19-Q21 VanDerWaalsContact C-N 3.33Å; L19-Q21 PolarHBondContact O-N 2.93Å; L19-W22 PolarHBondContact O-N 3.07Å; L19-A23 WeakPolarHBondContact O-CB 3.35Å; L19-A23 PolarHBondContact O-N 2.94Å; L19-C46 HydrophobicContact CD1-CB 3.84Å; L19-I47 HydrophobicContact CD1-CG1 4.28Å; L19-M52 HydrophobicContact CD1-CE 4.24Å; L19-M52 HydrophobicContact CD1-SD 3.83Å; L19-Y55 HydrophobicContact CD2-CD1 3.56Å; L19-Y55 HydrophobicContact CD2-CE1 3.01Å; L19-Y55 HydrophobicContact CG-CE1 4.5Å
20A68.4Low64.3Low3 Ų356.8 Ų56.83%0.02528%0.279CS..Hα-helixtrans-67.3-32.7175.300000113L17 K18 F24 F152L17-A20 PolarHBondContact O-N 3.13Å; K18-A20 VanDerWaalsContact C-N 3.35Å; A20-F24 WeakPolarHBondContact O-CB 3.42Å; A20-F24 PolarHBondContact O-N 3.44Å; A20-F152 HydrophobicContact CB-CD2 3.69Å; A20-F152 HydrophobicContact CB-CE2 3.77Å
21Q70.4Confident64.5Low49 Ų4956.6 Ų56.623%0.22927%0.274CS..Hα-helixtrans-67.4-38.9172.7-164.9-177.319.600111.6L17 K18 L19 R25 D287L17-Q21 PolarHBondContact O-N 2.86Å; L17-Q21 VanDerWaalsContact O-N 3.13Å; K18-Q21 WeakPolarHBondContact O-CB 3.49Å; K18-Q21 PolarHBondContact O-N 3.35Å; L19-Q21 VanDerWaalsContact C-N 3.33Å; L19-Q21 PolarHBondContact O-N 2.93Å; Q21-R25 WeakPolarHBondContact O-CB 3.41Å; Q21-R25 WeakPolarHBondContact O-CG 3.47Å; Q21-R25 PolarHBondContact O-N 2.82Å; Q21-D287 PolarHBondContact NE2-OD1 2.97Å
22W68.7Low65.1Low59 Ų5957.5 Ų57.522%0.22328%0.283CS..Hα-helixtrans-69.6-41.8175.9-62-20.6000112.5K18 L19 F24 R25 A26 L39 K42 I43K18-W22 HydrophobicContact CB-CH2 4.47Å; K18-W22 HydrophobicContact CB-CZ2 4.17Å; K18-W22 VanDerWaalsContact O-CG 3.25Å; K18-W22 PolarHBondContact O-N 3.1Å; L19-W22 PolarHBondContact O-N 3.07Å; W22-F24 VanDerWaalsContact C-N 3.33Å; W22-F24 PolarHBondContact O-N 3.48Å; W22-R25 PolarHBondContact O-N 2.92Å; W22-A26 WeakPolarHBondContact O-CB 3.4Å; W22-A26 PolarHBondContact O-N 3.34Å; W22-L39 HydrophobicContact CB-CD2 4.13Å; W22-L39 HydrophobicContact CG-CD2 3.94Å; W22-K42 HydrophobicContact CE3-CB 4.23Å; W22-K42 HydrophobicContact CZ3-CB 4.19Å; W22-I43 HydrophobicContact CB-CD1 3.98Å; W22-I43 HydrophobicContact CB-CG1 3.86Å
23A68.3Low65.6Low2 Ų257.3 Ų57.32%0.01728%0.283CS..Hα-helixtrans-59.1-46.6174.400000110.6L19 R25 A26 G27 V59L19-A23 WeakPolarHBondContact O-CB 3.35Å; L19-A23 PolarHBondContact O-N 2.94Å; A23-R25 PolarHBondContact O-N 2.83Å; A23-A26 PolarHBondContact O-N 3.05Å; A23-G27 PolarHBondContact O-N 3.35Å; A23-V59 HydrophobicContact CB-CG2 4.24Å
24F71.7Confident66.1Low60 Ų6057.3 Ų57.326%0.26329%0.291SS..Hα-helixtrans-59.7-45.2175-175.1-98.5000112.3A20 W22 A26 G27 L28 R288 H291A20-F24 WeakPolarHBondContact O-CB 3.42Å; A20-F24 PolarHBondContact O-N 3.44Å; W22-F24 VanDerWaalsContact C-N 3.33Å; W22-F24 PolarHBondContact O-N 3.48Å; F24-A26 VanDerWaalsContact C-N 3.33Å; F24-A26 PolarHBondContact O-N 3.23Å; F24-G27 PolarHBondContact O-N 2.9Å; F24-L28 HydrophobicContact CD1-CD1 4.16Å; F24-L28 HydrophobicContact CE1-CD1 3.81Å; F24-L28 HydrophobicContact CE1-CG 4.32Å; F24-L28 HydrophobicContact CZ-CD2 4.5Å; F24-L28 PolarHBondContact O-N 3.43Å; F24-R288 HydrophobicContact CB-CB 4.31Å; F24-R288 HydrophobicContact CB-CG 4.42Å; F24-R288 HydrophobicContact CD1-CB 4.01Å; F24-R288 HydrophobicContact CD2-CG 4.26Å; F24-R288 HydrophobicContact CG-CB 4.04Å; F24-R288 HydrophobicContact CG-CG 4.13Å; F24-H291 HydrophobicContact CE1-CB 3.69Å; F24-H291 AromaticContact CE1-CG 3.88Å; F24-H291 HydrophobicContact CZ-CB 3.61Å; F24-H291 AromaticContact CZ-CD2 3.71Å; F24-H291 AromaticContact CZ-CG 3.59Å
25R66.5Low66.8Low57 Ų5759.3 Ų59.322%0.21530%0.302CS..Hα-helixtrans-60.9-41.5175.7-80.5-177.9167.7-164.9-5.4112.4Q21 W22 A23 G27 L28 T31 L39 C286Q21-R25 WeakPolarHBondContact O-CB 3.41Å; Q21-R25 WeakPolarHBondContact O-CG 3.47Å; Q21-R25 PolarHBondContact O-N 2.82Å; W22-R25 PolarHBondContact O-N 2.92Å; A23-R25 PolarHBondContact O-N 2.83Å; R25-G27 VanDerWaalsContact C-N 3.27Å; R25-G27 PolarHBondContact O-N 3.29Å; R25-L28 PolarHBondContact O-N 2.94Å; R25-T31 WeakPolarHBondContact O-CG2 3.4Å; R25-T31 PolarHBondContact O-OG1 2.84Å; R25-L39 HydrophobicContact CB-CD1 3.86Å; R25-C286 HydrophobicContact CG-CB 4.49Å; R25-C286 WeakPolarHBondContact CG-O 3.38Å; R25-C286 PolarHBondContact NE-O 3.41Å
26A61.7Low67.3Low7 Ų764.5 Ų64.56%0.05832%0.321CS..Hα-helixtrans-67-28.3179.400000112.8W22 A23 F24 L28 L40 I43 L63W22-A26 WeakPolarHBondContact O-CB 3.4Å; W22-A26 PolarHBondContact O-N 3.34Å; A23-A26 PolarHBondContact O-N 3.05Å; F24-A26 VanDerWaalsContact C-N 3.33Å; F24-A26 PolarHBondContact O-N 3.23Å; A26-L28 VanDerWaalsContact C-N 3.33Å; A26-L40 HydrophobicContact CB-CD2 4.38Å; A26-I43 HydrophobicContact CB-CD1 4.15Å; A26-L63 HydrophobicContact CB-CD1 4.14Å; A26-L63 HydrophobicContact CB-CD2 3.95Å
27G66.9Low67.7Low47 Ų4768.6 Ų68.649%0.48534%0.337SS..Hα-helixtrans-77.1-13.9176.900000114.6A23 F24 R25 E29 L63A23-G27 PolarHBondContact O-N 3.35Å; F24-G27 PolarHBondContact O-N 2.9Å; R25-G27 VanDerWaalsContact C-N 3.27Å; R25-G27 PolarHBondContact O-N 3.29Å; G27-E29 PolarHBondContact O-N 3.26Å; G27-L63 VanDerWaalsContact N-CD2 3.27Å
28L68.4Low68.3Low27 Ų2773 Ų7314%0.14136%0.356CS..  trans-80.8118.4179.2-72.4166.9000111.2F24 R25 A26 K30 T31 S285 H291F24-L28 HydrophobicContact CD1-CD1 4.16Å; F24-L28 HydrophobicContact CE1-CD1 3.81Å; F24-L28 HydrophobicContact CE1-CG 4.32Å; F24-L28 HydrophobicContact CZ-CD2 4.5Å; F24-L28 PolarHBondContact O-N 3.43Å; R25-L28 PolarHBondContact O-N 2.94Å; A26-L28 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.46Å; L28-K30 VanDerWaalsContact O-N 3.09Å; L28-T31 HydrophobicContact CB-CG2 4.09Å; L28-T31 PolarHBondContact O-N 3.36Å; L28-T31 PolarHBondContact O-OG1 3.42Å; L28-S285 VanDerWaalsContact CD1-O 3.28Å; L28-S285 WeakPolarHBondContact CD1-O 3.44Å; L28-H291 WeakPolarHBondContact CD2-CE1 3.36Å
29E62.1Low68.3Low198 Ų19868.2 Ų68.293%0.92534%0.336SS*.THydrogen-bonded Turntrans-56-26.1175-64.2-175.8163.400113.5G27 T31G27-E29 PolarHBondContact O-N 3.26Å; E29-T31 PolarHBondContact O-N 3.05Å
30K63Low68.6Low180 Ų18070.1 Ų70.178%0.78335%0.346SS*.THydrogen-bonded Turntrans-75.2-8-179.7-64-174.2179.7-177.80114L28L28-K30 PolarHBondContact O-N 3.46Å; L28-K30 VanDerWaalsContact O-N 3.09Å
31T60.8Low69.1Low15 Ų1575.3 Ų75.39%0.09237%0.37CS..SBendtrans-77.8134.6-177.753.80000111.7R25 L28 E29 E33R25-T31 WeakPolarHBondContact O-CG2 3.4Å; R25-T31 PolarHBondContact O-OG1 2.84Å; L28-T31 HydrophobicContact CB-CG2 4.09Å; L28-T31 PolarHBondContact O-N 3.36Å; L28-T31 PolarHBondContact O-OG1 3.42Å; E29-T31 PolarHBondContact O-N 3.05Å; T31-E33 PolarHBondContact O-N 3.01Å
32P69.7Low69.4Low79 Ų7978 Ų7851%0.51338%0.381SS..  trans-55.6132.2175-24.933.4000111P34 L35 R36P32-P34 VanDerWaalsContact C-N 3.3Å; P32-P34 HydrophobicContact CB-CG 4.11Å; P32-P34 VanDerWaalsContact O-N 3.15Å; P32-L35 HydrophobicContact CB-CB 4.44Å; P32-L35 WeakPolarHBondContact O-CA 3.47Å; P32-L35 WeakPolarHBondContact O-CB 3.36Å; P32-L35 PolarHBondContact O-N 3.26Å; P32-R36 PolarHBondContact O-N 3.41Å
33E65.9Low69.5Low131 Ų13175.4 Ų75.461%0.61237%0.371SS*.Hα-helixtrans-46.9-39.9176.8-61.8-164.5156.800115.5T31 L35 R36 K37T31-E33 PolarHBondContact O-N 3.01Å; E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 2.7Å; E33-R36 PolarHBondContact O-N 2.95Å; E33-K37 PolarHBondContact O-N 3.43Å
34P71.4Confident69.7Low85 Ų8578 Ų7855%0.55239%0.387SS*.Hα-helixtrans-66-38.1177.425-35.3000112.2P32 R36 K37 Q38P32-P34 VanDerWaalsContact C-N 3.3Å; P32-P34 HydrophobicContact CB-CG 4.11Å; P32-P34 VanDerWaalsContact O-N 3.15Å; P34-R36 VanDerWaalsContact C-N 3.35Å; P34-K37 PolarHBondContact O-N 2.87Å; P34-Q38 WeakPolarHBondContact O-CG 3.46Å; P34-Q38 PolarHBondContact O-N 3.3Å; P34-Q38 VanDerWaalsContact O-N 3.12Å
35L71.9Confident69.9Low72 Ų7280.9 Ų80.938%0.37740%0.4SS..Hα-helixtrans-69.4-38.5177.9-167.970.3000110.3P32 E33 K37 Q38 L39P32-L35 HydrophobicContact CB-CB 4.44Å; P32-L35 WeakPolarHBondContact O-CA 3.47Å; P32-L35 WeakPolarHBondContact O-CB 3.36Å; P32-L35 PolarHBondContact O-N 3.26Å; E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 2.7Å; L35-K37 PolarHBondContact O-N 3.26Å; L35-Q38 PolarHBondContact O-N 3.36Å; L35-L39 HydrophobicContact CD2-CD1 4.47Å; L35-L39 HydrophobicContact CG-CD1 4.06Å; L35-L39 HydrophobicContact CG-CG 4.41Å; L35-L39 WeakPolarHBondContact O-CB 3.33Å; L35-L39 WeakPolarHBondContact O-CG 3.43Å; L35-L39 PolarHBondContact O-N 2.94Å
36R70.3Confident69.9Low113 Ų11379.7 Ų79.743%0.42640%0.4SS..Hα-helixtrans-59.5-44.8174.5-167.5177.469.4171.5-2.4111.5P32 E33 P34 L39 L40P32-R36 PolarHBondContact O-N 3.41Å; E33-R36 PolarHBondContact O-N 2.95Å; P34-R36 VanDerWaalsContact C-N 3.35Å; R36-L39 PolarHBondContact O-N 3.23Å; R36-L40 HydrophobicContact CG-CD1 4.17Å; R36-L40 HydrophobicContact CG-CG 4.48Å; R36-L40 WeakPolarHBondContact O-CB 3.43Å; R36-L40 VanDerWaalsContact O-CG 3.23Å; R36-L40 WeakPolarHBondContact O-CG 3.23Å; R36-L40 PolarHBondContact O-N 3.42Å
37K73Confident70.4Confident133 Ų13379.5 Ų79.558%0.57840%0.398SS*.Hα-helixtrans-62.2-46.2176.6-70.6-178.9-176.2179.50112.2E33 P34 L35 L39 L40 E41E33-K37 PolarHBondContact O-N 3.43Å; P34-K37 PolarHBondContact O-N 2.87Å; L35-K37 PolarHBondContact O-N 3.26Å; K37-L39 VanDerWaalsContact C-N 3.32Å; K37-L39 PolarHBondContact O-N 3.39Å; K37-L40 PolarHBondContact O-N 3.23Å; K37-E41 WeakPolarHBondContact O-CG 3.47Å; K37-E41 PolarHBondContact O-N 3.32Å
38Q79.2Confident70.4Confident104 Ų10481.9 Ų81.949%0.48640%0.396SS..Hα-helixtrans-62.6-38.6176.4-70.2178.2600112.6P34 L35 K42P34-Q38 WeakPolarHBondContact O-CG 3.46Å; P34-Q38 PolarHBondContact O-N 3.3Å; P34-Q38 VanDerWaalsContact O-N 3.12Å; L35-Q38 PolarHBondContact O-N 3.36Å; Q38-K42 VanDerWaalsContact O-CG 3.3Å; Q38-K42 WeakPolarHBondContact O-CG 3.23Å; Q38-K42 PolarHBondContact O-N 3.49Å
39L70.2Confident70.4Confident10 Ų1086.3 Ų86.35%0.05242%0.42CS..Hα-helixtrans-67.3-43.7176.2-73.3169.7000110.9W22 R25 L35 R36 K37 E41 K42 I43W22-L39 HydrophobicContact CB-CD2 4.13Å; W22-L39 HydrophobicContact CG-CD2 3.94Å; R25-L39 HydrophobicContact CB-CD1 3.86Å; L35-L39 HydrophobicContact CD2-CD1 4.47Å; L35-L39 HydrophobicContact CG-CD1 4.06Å; L35-L39 HydrophobicContact CG-CG 4.41Å; L35-L39 WeakPolarHBondContact O-CB 3.33Å; L35-L39 WeakPolarHBondContact O-CG 3.43Å; L35-L39 PolarHBondContact O-N 2.94Å; R36-L39 PolarHBondContact O-N 3.23Å; K37-L39 VanDerWaalsContact C-N 3.32Å; K37-L39 PolarHBondContact O-N 3.39Å; L39-E41 VanDerWaalsContact C-N 3.34Å; L39-E41 PolarHBondContact O-N 3.27Å; L39-K42 PolarHBondContact O-N 3.47Å; L39-I43 WeakPolarHBondContact O-CB 3.31Å; L39-I43 WeakPolarHBondContact O-CD1 3.24Å; L39-I43 WeakPolarHBondContact O-CG1 3.39Å; L39-I43 PolarHBondContact O-N 2.95Å
40L73.2Confident70.4Confident41 Ų4177.9 Ų77.922%0.21538%0.381CS..Hα-helixtrans-61.1-42.5175.5-72.1172.2000111.6A26 R36 K37 K42 I43 T44 L63 L65A26-L40 HydrophobicContact CB-CD2 4.38Å; R36-L40 HydrophobicContact CG-CD1 4.17Å; R36-L40 HydrophobicContact CG-CG 4.48Å; R36-L40 WeakPolarHBondContact O-CB 3.43Å; R36-L40 VanDerWaalsContact O-CG 3.23Å; R36-L40 WeakPolarHBondContact O-CG 3.23Å; R36-L40 PolarHBondContact O-N 3.42Å; K37-L40 PolarHBondContact O-N 3.23Å; L40-K42 VanDerWaalsContact C-N 3.33Å; L40-K42 PolarHBondContact O-N 3.46Å; L40-I43 PolarHBondContact O-N 2.86Å; L40-T44 WeakPolarHBondContact O-CG2 3.41Å; L40-T44 PolarHBondContact O-N 3.19Å; L40-T44 PolarHBondContact O-OG1 3.23Å; L40-T44 VanDerWaalsContact O-OG1 3.04Å; L40-L63 HydrophobicContact CD2-CD1 3.96Å; L40-L65 HydrophobicContact CD2-CD1 3.65Å
41E78Confident70.2Confident113 Ų11370.9 Ų70.953%0.52835%0.352SS..Hα-helixtrans-62.5-37.7174.1-74.8175.4-16400112.8K37 L39 T44 K45K37-E41 WeakPolarHBondContact O-CG 3.47Å; K37-E41 PolarHBondContact O-N 3.32Å; L39-E41 VanDerWaalsContact C-N 3.34Å; L39-E41 PolarHBondContact O-N 3.27Å; E41-T44 WeakPolarHBondContact CA-OG1 3.22Å; E41-T44 PolarHBondContact O-OG1 2.94Å; E41-T44 VanDerWaalsContact O-OG1 3.09Å; E41-K45 WeakPolarHBondContact O-CB 3.43Å; E41-K45 WeakPolarHBondContact O-CG 3.31Å; E41-K45 PolarHBondContact O-N 3.36Å
42K76.2Confident70.4Confident104 Ų10470.3 Ų70.345%0.45235%0.349SS..Hα-helixtrans-68.9-41.5175-74.1175.5-177.3-178.40111.5W22 Q38 L39 L40 C46W22-K42 HydrophobicContact CE3-CB 4.23Å; W22-K42 HydrophobicContact CZ3-CB 4.19Å; Q38-K42 VanDerWaalsContact O-CG 3.3Å; Q38-K42 WeakPolarHBondContact O-CG 3.23Å; Q38-K42 PolarHBondContact O-N 3.49Å; L39-K42 PolarHBondContact O-N 3.47Å; L40-K42 VanDerWaalsContact C-N 3.33Å; L40-K42 PolarHBondContact O-N 3.46Å; K42-C46 WeakPolarHBondContact O-CB 3.48Å; K42-C46 PolarHBondContact O-N 3.47Å; K42-C46 PolarHBondContact O-SG 3.18Å; K42-C46 VanDerWaalsContact O-SG 3.33Å
43I71.7Confident70Confident5 Ų566.7 Ų66.73%0.02633%0.325CS..Hα-helixtrans-63.6-48.4177.1-68.7162.2000109.6W22 A26 L39 L40 K45 C46 I47W22-I43 HydrophobicContact CB-CD1 3.98Å; W22-I43 HydrophobicContact CB-CG1 3.86Å; A26-I43 HydrophobicContact CB-CD1 4.15Å; L39-I43 WeakPolarHBondContact O-CB 3.31Å; L39-I43 WeakPolarHBondContact O-CD1 3.24Å; L39-I43 WeakPolarHBondContact O-CG1 3.39Å; L39-I43 PolarHBondContact O-N 2.95Å; L40-I43 PolarHBondContact O-N 2.86Å; I43-K45 PolarHBondContact O-N 2.87Å; I43-C46 PolarHBondContact O-N 2.81Å; I43-I47 HydrophobicContact CG2-CD1 3.45Å; I43-I47 VanDerWaalsContact CG2-CD1 3.45Å; I43-I47 HydrophobicContact CG2-CG1 4.16Å; I43-I47 WeakPolarHBondContact O-CB 3.5Å; I43-I47 WeakPolarHBondContact O-CG1 3.28Å; I43-I47 PolarHBondContact O-N 3.43Å
44T72.3Confident70Confident57 Ų5762.2 Ų62.235%0.3531%0.308SS..Hα-helixtrans-64-40.4179.752.70000111.9L40 E41 I47 Q48L40-T44 WeakPolarHBondContact O-CG2 3.41Å; L40-T44 PolarHBondContact O-N 3.19Å; L40-T44 PolarHBondContact O-OG1 3.23Å; L40-T44 VanDerWaalsContact O-OG1 3.04Å; E41-T44 WeakPolarHBondContact CA-OG1 3.22Å; E41-T44 PolarHBondContact O-OG1 2.94Å; E41-T44 VanDerWaalsContact O-OG1 3.09Å; T44-I47 PolarHBondContact O-N 3.36Å; T44-Q48 WeakPolarHBondContact O-CB 3.05Å; T44-Q48 WeakPolarHBondContact O-CG 3.44Å; T44-Q48 PolarHBondContact O-N 3.44Å
45K75.9Confident69.6Low121 Ų12158.8 Ų58.853%0.52628%0.284SS..Hα-helixtrans-60.5-51.9172.7-75.5175.1-176.5178.80111.8E41 I43 I47 Q48 D49E41-K45 WeakPolarHBondContact O-CB 3.43Å; E41-K45 WeakPolarHBondContact O-CG 3.31Å; E41-K45 PolarHBondContact O-N 3.36Å; I43-K45 PolarHBondContact O-N 2.87Å; K45-I47 VanDerWaalsContact C-N 3.3Å; K45-I47 PolarHBondContact O-N 3.02Å; K45-Q48 PolarHBondContact O-N 2.9Å; K45-Q48 VanDerWaalsContact O-N 3.13Å; K45-D49 WeakPolarHBondContact O-CB 3.37Å; K45-D49 PolarHBondContact O-N 2.73Å
46C67Low69.2Low32 Ų3256.4 Ų56.422%0.21627%0.27CS..Hα-helixtrans-62.9-36.4178.9-70.10000112.8L19 K42 I43 D49 D50L19-C46 HydrophobicContact CD1-CB 3.84Å; K42-C46 WeakPolarHBondContact O-CB 3.48Å; K42-C46 PolarHBondContact O-N 3.47Å; K42-C46 PolarHBondContact O-SG 3.18Å; K42-C46 VanDerWaalsContact O-SG 3.33Å; I43-C46 PolarHBondContact O-N 2.81Å; C46-D49 PolarHBondContact O-N 3.27Å; C46-D50 VanDerWaalsContact O-CB 3.28Å; C46-D50 WeakPolarHBondContact O-CB 3.15Å; C46-D50 PolarHBondContact O-N 2.93Å
47I70.4Confident69.1Low3 Ų354.2 Ų54.22%0.01527%0.265CS..Hα-helixtrans-68-37.6176.2-69.4176.1000110.9L19 I43 T44 K45 N51 M52 Y56 M75L19-I47 HydrophobicContact CD1-CG1 4.28Å; I43-I47 HydrophobicContact CG2-CD1 3.45Å; I43-I47 VanDerWaalsContact CG2-CD1 3.45Å; I43-I47 HydrophobicContact CG2-CG1 4.16Å; I43-I47 WeakPolarHBondContact O-CB 3.5Å; I43-I47 WeakPolarHBondContact O-CG1 3.28Å; I43-I47 PolarHBondContact O-N 3.43Å; T44-I47 PolarHBondContact O-N 3.36Å; K45-I47 VanDerWaalsContact C-N 3.3Å; K45-I47 PolarHBondContact O-N 3.02Å; I47-N51 VanDerWaalsContact O-CA 3.25Å; I47-N51 WeakPolarHBondContact O-CA 3.18Å; I47-N51 PolarHBondContact O-N 3.33Å; I47-M52 HydrophobicContact CG2-CB 4.45Å; I47-M52 PolarHBondContact O-N 2.9Å; I47-Y56 HydrophobicContact CD1-CD2 3.79Å; I47-Y56 HydrophobicContact CG2-CD2 3.98Å; I47-Y56 HydrophobicContact CG2-CG 4.3Å; I47-M75 HydrophobicContact CG2-CE 3.78Å; I47-M75 HydrophobicContact CG2-SD 4.08Å; I47-M75 WeakPolarHBondContact O-CE 3.17Å
48Q68.4Low69.1Low97 Ų9751.2 Ų51.245%0.45326%0.255SS..Hα-helixtrans-67.3-43.8174-74.9174.32.100112T44 K45 M75T44-Q48 WeakPolarHBondContact O-CB 3.05Å; T44-Q48 WeakPolarHBondContact O-CG 3.44Å; T44-Q48 PolarHBondContact O-N 3.44Å; K45-Q48 PolarHBondContact O-N 2.9Å; K45-Q48 VanDerWaalsContact O-N 3.13Å; Q48-M75 HydrophobicContact CB-CE 4.44Å; Q48-M75 HydrophobicContact CG-CE 3.93Å
49D68Low68.4Low119 Ų11946.5 Ų46.564%0.63623%0.233SC*.Hα-helixtrans-66.6-42.5179.5-64.7-25.2000111.2K45 C46K45-D49 WeakPolarHBondContact O-CB 3.37Å; K45-D49 PolarHBondContact O-N 2.73Å; C46-D49 PolarHBondContact O-N 3.27Å
50D61.2Low68.2Low22 Ų2246.2 Ų46.212%0.11823%0.232CC..Hα-helixtrans-92.7-5.4-175.8-69.1-27.5000114N16 C46 M52 K115N16-D50 PolarHBondContact ND2-OD2 3.35Å; C46-D50 VanDerWaalsContact O-CB 3.28Å; C46-D50 WeakPolarHBondContact O-CB 3.15Å; C46-D50 PolarHBondContact O-N 2.93Å; D50-M52 HydrophobicContact CB-CE 3.96Å; D50-M52 HydrophobicContact CB-CG 3.85Å; D50-M52 PolarHBondContact O-N 2.62Å; D50-K115 VanDerWaalsContact CB-CE 3.42Å; D50-K115 HydrophobicContact CB-CG 4.35Å; D50-K115 WeakPolarHBondContact OD1-CE 3.49Å; D50-K115 IonicContact OD1-NZ 3.78Å; D50-K115 PolarHBondContact OD1-NZ 3.41Å
51N59.6Low68.1Low33 Ų3351 Ų5118%0.17625%0.251CS..THydrogen-bonded Turntrans50.247.4-177.6-66.6-78.3000113.7I47 A53 M75I47-N51 VanDerWaalsContact O-CA 3.25Å; I47-N51 WeakPolarHBondContact O-CA 3.18Å; I47-N51 PolarHBondContact O-N 3.33Å; N51-A53 PolarHBondContact O-N 3.43Å; N51-M75 HydrophobicContact CB-CG 4.49Å
52M65Low67.7Low2 Ų252 Ų521%0.0126%0.255CS..  trans-81.478.7-176-59.3-165.4168.700112.7L19 I47 D50 Y55 Y56 K115L19-M52 HydrophobicContact CD1-CE 4.24Å; L19-M52 HydrophobicContact CD1-SD 3.83Å; I47-M52 HydrophobicContact CG2-CB 4.45Å; I47-M52 PolarHBondContact O-N 2.9Å; D50-M52 HydrophobicContact CB-CE 3.96Å; D50-M52 HydrophobicContact CB-CG 3.85Å; D50-M52 PolarHBondContact O-N 2.62Å; M52-Y55 HydrophobicContact SD-CD1 4.36Å; M52-Y56 VanDerWaalsContact O-CB 3.28Å; M52-Y56 WeakPolarHBondContact O-CB 3.32Å; M52-Y56 PolarHBondContact O-N 3.47Å; M52-K115 HydrophobicContact CE-CG 4.41Å; M52-K115 WeakPolarHBondContact CE-O 3.48Å; M52-K115 WeakPolarHBondContact CG-O 3.44Å; M52-K115 VanDerWaalsContact SD-O 3.4Å
53A61.3Low67Low3 Ų348.3 Ų48.33%0.02524%0.241CC..Hα-helixtrans-66.1-50.8-176.400000114.7N51 Y56 E57 M75 Q76N51-A53 PolarHBondContact O-N 3.43Å; A53-Y56 PolarHBondContact O-N 2.83Å; A53-E57 PolarHBondContact O-N 3.13Å; A53-M75 HydrophobicContact CB-CB 3.97Å; A53-Q76 HydrophobicContact CB-CG 4.02Å
54P65.1Low66.5Low37 Ų3755.3 Ų55.324%0.2428%0.278CS..Hα-helixtrans-68.7-37-179.6-20.835.1000112.8Y56 E57 L58 I116 D118P54-Y56 VanDerWaalsContact C-N 3.32Å; P54-Y56 PolarHBondContact O-N 2.82Å; P54-E57 PolarHBondContact O-N 2.9Å; P54-L58 PolarHBondContact O-N 2.92Å; P54-L58 VanDerWaalsContact O-N 3.17Å; P54-I116 WeakPolarHBondContact CD-O 3.42Å; P54-I116 HydrophobicContact CG-CG2 3.56Å; P54-D118 HydrophobicContact CG-CB 4.44Å
55Y64Low66.3Low13 Ų1356 Ų565%0.05128%0.279CS..Hα-helixtrans-68.2-34.1176.9-166.6-105.7000111.9L19 M52 E57 L58 V59 F152L19-Y55 HydrophobicContact CD2-CD1 3.56Å; L19-Y55 HydrophobicContact CD2-CE1 3.01Å; L19-Y55 HydrophobicContact CG-CE1 4.5Å; M52-Y55 HydrophobicContact SD-CD1 4.36Å; Y55-E57 VanDerWaalsContact C-N 3.31Å; Y55-E57 PolarHBondContact O-N 3.33Å; Y55-L58 HydrophobicContact CD2-CD1 4.48Å; Y55-L58 PolarHBondContact O-N 3.43Å; Y55-V59 HydrophobicContact CD1-CG2 3.51Å; Y55-V59 HydrophobicContact CE1-CG2 3.06Å; Y55-V59 HydrophobicContact CE2-CG2 4.22Å; Y55-V59 HydrophobicContact CG-CG2 4.24Å; Y55-V59 WeakPolarHBondContact O-CB 3.39Å; Y55-V59 VanDerWaalsContact O-CG2 3.27Å; Y55-V59 WeakPolarHBondContact O-CG2 3.41Å; Y55-V59 PolarHBondContact O-N 3.03Å; Y55-F152 AromaticContact CD1-CZ 3.96Å; Y55-F152 HydrophobicContact CD1-CZ 3.96Å; Y55-F152 HydrophobicContact CD2-CD1 4.4Å; Y55-F152 AromaticContact CD2-CE1 3.21Å; Y55-F152 HydrophobicContact CD2-CE1 3.21Å; Y55-F152 AromaticContact CD2-CZ 3.41Å; Y55-F152 HydrophobicContact CD2-CZ 3.41Å; Y55-F152 VanDerWaalsContact CD2-CZ 3.41Å; Y55-F152 AromaticContact CE1-CZ 3.77Å; Y55-F152 HydrophobicContact CE1-CZ 3.77Å; Y55-F152 HydrophobicContact CE2-CD1 4.12Å; Y55-F152 AromaticContact CE2-CE1 3.13Å; Y55-F152 HydrophobicContact CE2-CE1 3.13Å; Y55-F152 HydrophobicContact CE2-CE2 4.2Å; Y55-F152 AromaticContact CE2-CZ 3.17Å; Y55-F152 HydrophobicContact CE2-CZ 3.17Å; Y55-F152 AromaticContact CG-CE1 3.96Å; Y55-F152 HydrophobicContact CG-CE1 3.96Å; Y55-F152 AromaticContact CG-CZ 3.77Å; Y55-F152 HydrophobicContact CG-CZ 3.77Å; Y55-F152 AromaticContact CZ-CE1 3.84Å; Y55-F152 AromaticContact CZ-CZ 3.34Å
56Y63.3Low65.5Low22 Ų2255.2 Ų55.29%0.08629%0.287CS..Hα-helixtrans-60.9-40.5173-175.1-112.8000112I47 M52 A53 P54 L58 V59 C60 V67I47-Y56 HydrophobicContact CD1-CD2 3.79Å; I47-Y56 HydrophobicContact CG2-CD2 3.98Å; I47-Y56 HydrophobicContact CG2-CG 4.3Å; M52-Y56 VanDerWaalsContact O-CB 3.28Å; M52-Y56 WeakPolarHBondContact O-CB 3.32Å; M52-Y56 PolarHBondContact O-N 3.47Å; A53-Y56 PolarHBondContact O-N 2.83Å; P54-Y56 VanDerWaalsContact C-N 3.32Å; P54-Y56 PolarHBondContact O-N 2.82Å; Y56-L58 PolarHBondContact O-N 3.45Å; Y56-V59 PolarHBondContact O-N 3.3Å; Y56-C60 VanDerWaalsContact CE2-SG 3.6Å; Y56-C60 VanDerWaalsContact O-CB 3.27Å; Y56-C60 WeakPolarHBondContact O-CB 2.82Å; Y56-C60 PolarHBondContact O-N 2.88Å; Y56-C60 PolarHBondContact O-SG 2.87Å; Y56-C60 VanDerWaalsContact O-SG 3.34Å; Y56-V67 HydrophobicContact CE1-CG1 4.13Å
57E69Low65.3Low68 Ų6856.6 Ų56.632%0.31829%0.294SS..Hα-helixtrans-62.8-42.1174.5-67.9-174.3-171.700112.5A53 P54 Y55 K61 L72A53-E57 PolarHBondContact O-N 3.13Å; P54-E57 PolarHBondContact O-N 2.9Å; Y55-E57 VanDerWaalsContact C-N 3.31Å; Y55-E57 PolarHBondContact O-N 3.33Å; E57-K61 WeakPolarHBondContact O-CB 3.48Å; E57-K61 WeakPolarHBondContact O-CD 3.42Å; E57-K61 WeakPolarHBondContact O-CG 3.24Å; E57-K61 PolarHBondContact O-N 3.31Å; E57-L72 HydrophobicContact CG-CD1 3.69Å
58L71.5Confident65.3Low70 Ų7060.6 Ų60.637%0.36632%0.315SS..Hα-helixtrans-64.8-46.9177-71.8167.7000111.3P54 Y55 Y56 K61 E62 F153P54-L58 PolarHBondContact O-N 2.92Å; P54-L58 VanDerWaalsContact O-N 3.17Å; Y55-L58 HydrophobicContact CD2-CD1 4.48Å; Y55-L58 PolarHBondContact O-N 3.43Å; Y56-L58 PolarHBondContact O-N 3.45Å; L58-K61 WeakPolarHBondContact O-CB 3.38Å; L58-K61 PolarHBondContact O-N 3.05Å; L58-E62 WeakPolarHBondContact O-CG 3.32Å; L58-E62 PolarHBondContact O-N 3.26Å; L58-F153 HydrophobicContact CD1-CE1 3.88Å
59V66.2Low65.4Low4 Ų462.6 Ų62.62%0.02432%0.324CS..Hα-helixtrans-64.8-42.1178.8172.10000111.7A23 Y55 Y56 K61 E62 L63A23-V59 HydrophobicContact CB-CG2 4.24Å; Y55-V59 HydrophobicContact CD1-CG2 3.51Å; Y55-V59 HydrophobicContact CE1-CG2 3.06Å; Y55-V59 HydrophobicContact CE2-CG2 4.22Å; Y55-V59 HydrophobicContact CG-CG2 4.24Å; Y55-V59 WeakPolarHBondContact O-CB 3.39Å; Y55-V59 VanDerWaalsContact O-CG2 3.27Å; Y55-V59 WeakPolarHBondContact O-CG2 3.41Å; Y55-V59 PolarHBondContact O-N 3.03Å; Y56-V59 PolarHBondContact O-N 3.3Å; V59-K61 VanDerWaalsContact C-N 3.28Å; V59-K61 PolarHBondContact O-N 2.86Å; V59-E62 PolarHBondContact O-N 3.06Å; V59-L63 HydrophobicContact CG1-CD1 3.44Å; V59-L63 VanDerWaalsContact CG1-CD1 3.44Å; V59-L63 HydrophobicContact CG1-CG 4.05Å; V59-L63 VanDerWaalsContact O-CB 3.28Å; V59-L63 WeakPolarHBondContact O-CB 3.29Å; V59-L63 WeakPolarHBondContact O-CG 3.37Å; V59-L63 PolarHBondContact O-N 3.47Å
60C64.5Low65.6Low5 Ų567.7 Ų67.73%0.03434%0.335CS..Hα-helixtrans-63.5-36.4176.1-77.80000111.8Y56 N64 L65 V67Y56-C60 VanDerWaalsContact CE2-SG 3.6Å; Y56-C60 VanDerWaalsContact O-CB 3.27Å; Y56-C60 WeakPolarHBondContact O-CB 2.82Å; Y56-C60 PolarHBondContact O-N 2.88Å; Y56-C60 PolarHBondContact O-SG 2.87Å; Y56-C60 VanDerWaalsContact O-SG 3.34Å; C60-N64 WeakPolarHBondContact O-CA 3.33Å; C60-N64 PolarHBondContact O-N 3.09Å; C60-L65 PolarHBondContact O-N 3.04Å; C60-L65 VanDerWaalsContact O-N 3.09Å; C60-V67 HydrophobicContact CB-CG2 3.63Å
61K72.6Confident66.2Low142 Ų14269 Ų6962%0.61734%0.341SS*.Hα-helixtrans-66.4-43.5172.5-73.6169.4-174.2170.50111.8E57 L58 V59E57-K61 WeakPolarHBondContact O-CB 3.48Å; E57-K61 WeakPolarHBondContact O-CD 3.42Å; E57-K61 WeakPolarHBondContact O-CG 3.24Å; E57-K61 PolarHBondContact O-N 3.31Å; L58-K61 WeakPolarHBondContact O-CB 3.38Å; L58-K61 PolarHBondContact O-N 3.05Å; V59-K61 VanDerWaalsContact C-N 3.28Å; V59-K61 PolarHBondContact O-N 2.86Å
62E67.7Low66.8Low132 Ų13268.3 Ų68.362%0.61734%0.337SS*.Hα-helixtrans-69.3-36.2179.3-73.5-176.8170.800112.9L58 V59L58-E62 WeakPolarHBondContact O-CG 3.32Å; L58-E62 PolarHBondContact O-N 3.26Å; V59-E62 PolarHBondContact O-N 3.06Å
63L62.5Low67.2Low28 Ų2874.8 Ų74.815%0.14737%0.366CS..Hα-helixtrans-93.6-0.2-177.2-62.3179.9000113.9A26 G27 L40 V59 L65A26-L63 HydrophobicContact CB-CD1 4.14Å; A26-L63 HydrophobicContact CB-CD2 3.95Å; G27-L63 VanDerWaalsContact N-CD2 3.27Å; L40-L63 HydrophobicContact CD2-CD1 3.96Å; V59-L63 HydrophobicContact CG1-CD1 3.44Å; V59-L63 VanDerWaalsContact CG1-CD1 3.44Å; V59-L63 HydrophobicContact CG1-CG 4.05Å; V59-L63 VanDerWaalsContact O-CB 3.28Å; V59-L63 WeakPolarHBondContact O-CB 3.29Å; V59-L63 WeakPolarHBondContact O-CG 3.37Å; V59-L63 PolarHBondContact O-N 3.47Å; L63-L65 HydrophobicContact CB-CD1 3.84Å; L63-L65 HydrophobicContact CB-CG 3.91Å; L63-L65 HydrophobicContact CD1-CD1 3.99Å; L63-L65 PolarHBondContact O-N 2.87Å
64N61.8Low67.9Low152 Ų15277.6 Ų77.681%0.81339%0.385SS*.THydrogen-bonded Turntrans5037.4-173-65-50.4000113.3C60C60-N64 WeakPolarHBondContact O-CA 3.33Å; C60-N64 PolarHBondContact O-N 3.09Å
65L66.6Low68.3Low70 Ų7076.1 Ų76.137%0.36638%0.375SS..  trans-93.1142.5179-70171.2000110.8L40 C60 L63 V67L40-L65 HydrophobicContact CD2-CD1 3.65Å; C60-L65 PolarHBondContact O-N 3.04Å; C60-L65 VanDerWaalsContact O-N 3.09Å; L63-L65 HydrophobicContact CB-CD1 3.84Å; L63-L65 HydrophobicContact CB-CG 3.91Å; L63-L65 HydrophobicContact CD1-CD1 3.99Å; L63-L65 PolarHBondContact O-N 2.87Å; L65-V67 PolarHBondContact O-N 3.26Å
66P59.6Low69Low106 Ų10678.9 Ų78.969%0.68839%0.388SS*.  trans-62.7128176.426.1-32.8000110.2D68P66-D68 PolarHBondContact O-N 2.89Å
67V63.5Low69.7Low61 Ų6181.1 Ų81.137%0.3741%0.407SS..  trans-75.7112.5-179.5-1790000109.5Y56 C60 L65 Q69 L72Y56-V67 HydrophobicContact CE1-CG1 4.13Å; C60-V67 HydrophobicContact CB-CG2 3.63Å; L65-V67 PolarHBondContact O-N 3.26Å; V67-Q69 PolarHBondContact O-N 3.48Å; V67-L72 HydrophobicContact CG1-CD1 3.64Å
68D68.9Low70.4Confident87 Ų8780.4 Ų80.447%0.46541%0.407SS..  trans-69.193.9170.5-77.1-34.6000111.3P66 R70 I71 L72P66-D68 PolarHBondContact O-N 2.89Å; D68-R70 PolarHBondContact O-N 3.18Å; D68-R70 VanDerWaalsContact O-N 3.12Å; D68-I71 HydrophobicContact CB-CB 4.29Å; D68-I71 HydrophobicContact CB-CD1 3.94Å; D68-I71 HydrophobicContact CB-CG1 4.18Å; D68-I71 PolarHBondContact O-N 3.11Å; D68-L72 PolarHBondContact O-N 3.4Å; D68-L72 VanDerWaalsContact O-N 3.13Å
69Q71.4Confident70.8Confident138 Ų13878 Ų7865%0.64540%0.395SS*.Hα-helixtrans-59.2-25.9-177.8-65-178.6-1.300113.9V67 K73V67-Q69 PolarHBondContact O-N 3.48Å; Q69-K73 WeakPolarHBondContact O-CB 3.43Å; Q69-K73 VanDerWaalsContact O-CG 3.29Å; Q69-K73 WeakPolarHBondContact O-CG 3.28Å; Q69-K73 PolarHBondContact O-N 3.5Å
70R73.2Confident71.6Confident227 Ų22783.1 Ų83.186%0.85742%0.419SS*.Hα-helixtrans-69.9-45.8178.7-67-177.1-178.2177.20.9111.5D68 K73 S74D68-R70 PolarHBondContact O-N 3.18Å; D68-R70 VanDerWaalsContact O-N 3.12Å; R70-K73 PolarHBondContact O-N 3.06Å; R70-S74 PolarHBondContact O-N 3.2Å; R70-S74 VanDerWaalsContact O-N 3.11Å; R70-S74 PolarHBondContact O-OG 2.81Å
71I72.5Confident72.7Confident49 Ų4985 Ų8525%0.25144%0.435SS..Hα-helixtrans-66.8-45.4179.4-62.7175.4000108.9D68 K73 S74 M75D68-I71 HydrophobicContact CB-CB 4.29Å; D68-I71 HydrophobicContact CB-CD1 3.94Å; D68-I71 HydrophobicContact CB-CG1 4.18Å; D68-I71 PolarHBondContact O-N 3.11Å; I71-K73 PolarHBondContact O-N 3.13Å; I71-S74 WeakPolarHBondContact CA-OG 3.45Å; I71-S74 PolarHBondContact O-N 3.12Å; I71-S74 PolarHBondContact O-OG 2.92Å; I71-M75 HydrophobicContact CG2-CE 3.28Å; I71-M75 HydrophobicContact CG2-CG 4.35Å; I71-M75 HydrophobicContact CG2-SD 3.75Å; I71-M75 VanDerWaalsContact O-CG 3.3Å; I71-M75 WeakPolarHBondContact O-CG 3.44Å; I71-M75 PolarHBondContact O-N 2.77Å
72L72.5Confident73.1Confident18 Ų1882.1 Ų82.19%0.09442%0.422CS..Hα-helixtrans-58.3-45.9177.9-173.3155.5000112.2E57 V67 D68 S74 M75 Q76E57-L72 HydrophobicContact CG-CD1 3.69Å; V67-L72 HydrophobicContact CG1-CD1 3.64Å; D68-L72 PolarHBondContact O-N 3.4Å; D68-L72 VanDerWaalsContact O-N 3.13Å; L72-S74 PolarHBondContact O-N 2.61Å; L72-M75 PolarHBondContact O-N 2.97Å; L72-Q76 HydrophobicContact CD2-CG 4.09Å; L72-Q76 WeakPolarHBondContact O-CB 2.91Å; L72-Q76 WeakPolarHBondContact O-CG 3.45Å; L72-Q76 PolarHBondContact O-N 3.41Å
73K74Confident73.9Confident139 Ų13977.9 Ų77.960%0.60440%0.403SS*.Hα-helixtrans-64.3-39176.5-75.8-179.8-177.9-175.40113Q69 R70 I71 M75 Q76 S77Q69-K73 WeakPolarHBondContact O-CB 3.43Å; Q69-K73 VanDerWaalsContact O-CG 3.29Å; Q69-K73 WeakPolarHBondContact O-CG 3.28Å; Q69-K73 PolarHBondContact O-N 3.5Å; R70-K73 PolarHBondContact O-N 3.06Å; I71-K73 PolarHBondContact O-N 3.13Å; K73-M75 VanDerWaalsContact C-N 3.33Å; K73-Q76 PolarHBondContact O-N 3.29Å; K73-S77 PolarHBondContact O-N 3.01Å; K73-S77 PolarHBondContact O-OG 3.42Å
74S76Confident75.1Confident62 Ų6283 Ų8343%0.43442%0.424SS..Hα-helixtrans-66.8-35.1175.465.80000112.6R70 I71 L72 S77 V78R70-S74 PolarHBondContact O-N 3.2Å; R70-S74 VanDerWaalsContact O-N 3.11Å; R70-S74 PolarHBondContact O-OG 2.81Å; I71-S74 WeakPolarHBondContact CA-OG 3.45Å; I71-S74 PolarHBondContact O-N 3.12Å; I71-S74 PolarHBondContact O-OG 2.92Å; L72-S74 PolarHBondContact O-N 2.61Å; S74-S77 PolarHBondContact O-OG 2.79Å; S74-V78 VanDerWaalsContact O-CG2 3.31Å; S74-V78 WeakPolarHBondContact O-CG2 3.2Å; S74-V78 PolarHBondContact O-N 3.15Å
75M73.2Confident76.4Confident5 Ų581.6 Ų81.63%0.02541%0.413CS..Hα-helixtrans-72.7-39.9176.2-70.1171.7173.700111.5I47 Q48 N51 A53 I71 L72 K73 V78 N79I47-M75 HydrophobicContact CG2-CE 3.78Å; I47-M75 HydrophobicContact CG2-SD 4.08Å; I47-M75 WeakPolarHBondContact O-CE 3.17Å; Q48-M75 HydrophobicContact CB-CE 4.44Å; Q48-M75 HydrophobicContact CG-CE 3.93Å; N51-M75 HydrophobicContact CB-CG 4.49Å; A53-M75 HydrophobicContact CB-CB 3.97Å; I71-M75 HydrophobicContact CG2-CE 3.28Å; I71-M75 HydrophobicContact CG2-CG 4.35Å; I71-M75 HydrophobicContact CG2-SD 3.75Å; I71-M75 VanDerWaalsContact O-CG 3.3Å; I71-M75 WeakPolarHBondContact O-CG 3.44Å; I71-M75 PolarHBondContact O-N 2.77Å; L72-M75 PolarHBondContact O-N 2.97Å; K73-M75 VanDerWaalsContact C-N 3.33Å; M75-V78 PolarHBondContact O-N 3.45Å; M75-N79 VanDerWaalsContact O-CB 3.23Å; M75-N79 WeakPolarHBondContact O-CB 3.13Å; M75-N79 PolarHBondContact O-N 3.33Å
76Q77.6Confident77.2Confident71 Ų7179.1 Ų79.133%0.33240%0.4SS..Hα-helixtrans-62.2-42.5175.8-77.1178.2-18.200111.7A53 L72 K73 N79 E80A53-Q76 HydrophobicContact CB-CG 4.02Å; L72-Q76 HydrophobicContact CD2-CG 4.09Å; L72-Q76 WeakPolarHBondContact O-CB 2.91Å; L72-Q76 WeakPolarHBondContact O-CG 3.45Å; L72-Q76 PolarHBondContact O-N 3.41Å; K73-Q76 PolarHBondContact O-N 3.29Å; Q76-N79 WeakPolarHBondContact O-CB 3.35Å; Q76-N79 PolarHBondContact O-N 3.5Å; Q76-E80 WeakPolarHBondContact O-CG 3.32Å; Q76-E80 PolarHBondContact O-N 3.11Å
77S80Confident78.5Confident69 Ų6976.7 Ų76.748%0.48338%0.381SS..Hα-helixtrans-65.8-40.6178.263.70000112.6K73 S74 N79 A81K73-S77 PolarHBondContact O-N 3.01Å; K73-S77 PolarHBondContact O-OG 3.42Å; S74-S77 PolarHBondContact O-OG 2.79Å; S77-N79 VanDerWaalsContact C-N 3.33Å; S77-A81 WeakPolarHBondContact O-CB 3.34Å; S77-A81 PolarHBondContact O-N 3.29Å
78V82.6Confident79.6Confident53 Ų5375.9 Ų75.932%0.32138%0.381SS..Hα-helixtrans-64.3-40.4173.9173.30000111S74 M75 A81 K82S74-V78 VanDerWaalsContact O-CG2 3.31Å; S74-V78 WeakPolarHBondContact O-CG2 3.2Å; S74-V78 PolarHBondContact O-N 3.15Å; M75-V78 PolarHBondContact O-N 3.45Å; V78-A81 PolarHBondContact O-N 2.78Å; V78-K82 HydrophobicContact CG1-CD 4.23Å; V78-K82 WeakPolarHBondContact O-CG 3.25Å; V78-K82 PolarHBondContact O-N 3.38Å
79N80.7Confident80.3Confident21 Ų2176.6 Ų76.611%0.11238%0.38CS..Hα-helixtrans-63.4-49.8177.6-177.516.4000111.8M75 Q76 S77 A81 K82 I83 Y112 I116M75-N79 VanDerWaalsContact O-CB 3.23Å; M75-N79 WeakPolarHBondContact O-CB 3.13Å; M75-N79 PolarHBondContact O-N 3.33Å; Q76-N79 WeakPolarHBondContact O-CB 3.35Å; Q76-N79 PolarHBondContact O-N 3.5Å; S77-N79 VanDerWaalsContact C-N 3.33Å; N79-A81 VanDerWaalsContact C-N 3.31Å; N79-A81 PolarHBondContact O-N 2.99Å; N79-K82 PolarHBondContact O-N 3.47Å; N79-I83 WeakPolarHBondContact O-CG1 3.3Å; N79-I83 PolarHBondContact O-N 3.12Å; N79-I83 WeakPolarHBondContact OD1-CD1 3.49Å; N79-I83 WeakPolarHBondContact OD1-CG1 3.23Å; N79-Y112 WeakPolarHBondContact CA-OH 3.04Å; N79-Y112 WeakPolarHBondContact OD1-CE1 3.16Å; N79-I116 WeakPolarHBondContact OD1-CD1 3.47Å
80E82.8Confident80.8Confident110 Ų11070.8 Ų70.851%0.51435%0.353SS..Hα-helixtrans-60.5-39.2177.2-74179.1-164.500112.6Q76 K84Q76-E80 WeakPolarHBondContact O-CG 3.32Å; Q76-E80 PolarHBondContact O-N 3.11Å; E80-K84 WeakPolarHBondContact O-CB 3.39Å; E80-K84 VanDerWaalsContact O-CG 3.22Å; E80-K84 WeakPolarHBondContact O-CG 3.42Å; E80-K84 PolarHBondContact O-N 3.31Å
81A86.6Confident81.3Confident45 Ų4566.1 Ų66.137%0.37234%0.339SS..Hα-helixtrans-62-47.8175.700000111.3S77 V78 N79 K84 E85S77-A81 WeakPolarHBondContact O-CB 3.34Å; S77-A81 PolarHBondContact O-N 3.29Å; V78-A81 PolarHBondContact O-N 2.78Å; N79-A81 VanDerWaalsContact C-N 3.31Å; N79-A81 PolarHBondContact O-N 2.99Å; A81-K84 PolarHBondContact O-N 3.45Å; A81-E85 WeakPolarHBondContact O-CG 3.4Å; A81-E85 PolarHBondContact O-N 3.02Å
82K82.2Confident81.9Confident82 Ų8267.8 Ų67.836%0.35735%0.348SS..Hα-helixtrans-67.9-38.2179.1-75.6179.1172.7-178.90113V78 N79 K84 E85 L86 Y112V78-K82 HydrophobicContact CG1-CD 4.23Å; V78-K82 WeakPolarHBondContact O-CG 3.25Å; V78-K82 PolarHBondContact O-N 3.38Å; N79-K82 PolarHBondContact O-N 3.47Å; K82-K84 VanDerWaalsContact C-N 3.31Å; K82-K84 PolarHBondContact O-N 2.99Å; K82-E85 PolarHBondContact O-N 3.13Å; K82-L86 WeakPolarHBondContact O-CB 3.34Å; K82-L86 WeakPolarHBondContact O-CD1 3.2Å; K82-L86 VanDerWaalsContact O-CG 3.24Å; K82-L86 WeakPolarHBondContact O-CG 3.29Å; K82-L86 PolarHBondContact O-N 3.19Å; K82-Y112 HydrophobicContact CB-CD1 4.32Å; K82-Y112 HydrophobicContact CB-CE1 3.43Å; K82-Y112 VanDerWaalsContact CB-CE1 3.43Å; K82-Y112 HydrophobicContact CB-CE2 4.31Å; K82-Y112 VanDerWaalsContact CB-CZ 3.49Å; K82-Y112 HydrophobicContact CD-CE1 4.3Å; K82-Y112 HydrophobicContact CD-CE2 3.68Å; K82-Y112 VanDerWaalsContact CD-CZ 3.47Å; K82-Y112 VanDerWaalsContact CD-OH 3.23Å; K82-Y112 WeakPolarHBondContact CD-OH 3.46Å
83I84.7Confident82.3Confident43 Ų4367 Ų6722%0.22135%0.345CS..Hα-helixtrans-61.2-43.3173.4-69.2171.3000109.9N79 L86 D87 Y112 L113N79-I83 WeakPolarHBondContact O-CG1 3.3Å; N79-I83 PolarHBondContact O-N 3.12Å; N79-I83 WeakPolarHBondContact OD1-CD1 3.49Å; N79-I83 WeakPolarHBondContact OD1-CG1 3.23Å; I83-L86 PolarHBondContact O-N 3.31Å; I83-D87 WeakPolarHBondContact O-CB 3.43Å; I83-D87 PolarHBondContact O-N 3.35Å; I83-Y112 HydrophobicContact CG1-CD1 4.26Å; I83-Y112 HydrophobicContact CG1-CE1 4.04Å; I83-L113 HydrophobicContact CD1-CD2 4.25Å
84K87Confident82.5Confident136 Ų13665.3 Ų65.359%0.59134%0.339SS*.Hα-helixtrans-63.9-41.2176.6-73.7170-173.8170.20112.5E80 A81 K82 L86 D87 A88E80-K84 WeakPolarHBondContact O-CB 3.39Å; E80-K84 VanDerWaalsContact O-CG 3.22Å; E80-K84 WeakPolarHBondContact O-CG 3.42Å; E80-K84 PolarHBondContact O-N 3.31Å; A81-K84 PolarHBondContact O-N 3.45Å; K82-K84 VanDerWaalsContact C-N 3.31Å; K82-K84 PolarHBondContact O-N 2.99Å; K84-L86 VanDerWaalsContact C-N 3.35Å; K84-D87 PolarHBondContact O-N 2.74Å; K84-A88 WeakPolarHBondContact O-CB 3.34Å; K84-A88 PolarHBondContact O-N 3.06Å
85E87.7Confident82.8Confident121 Ų12169.6 Ų69.657%0.56535%0.352SS*.Hα-helixtrans-61.3-43.6174-73.8173.9-174.700111.5A81 K82 A88 K89A81-E85 WeakPolarHBondContact O-CG 3.4Å; A81-E85 PolarHBondContact O-N 3.02Å; K82-E85 PolarHBondContact O-N 3.13Å; E85-A88 PolarHBondContact O-N 3.44Å; E85-K89 WeakPolarHBondContact O-CG 3.49Å; E85-K89 PolarHBondContact O-N 2.73Å
86L84.5Confident83Confident19 Ų1975.2 Ų75.210%0.09938%0.382CS..Hα-helixtrans-68.6-38.1178.2-70.1163.6000112.1K82 I83 K84 A88 K89 I90 E108 K109 Y112K82-L86 WeakPolarHBondContact O-CB 3.34Å; K82-L86 WeakPolarHBondContact O-CD1 3.2Å; K82-L86 VanDerWaalsContact O-CG 3.24Å; K82-L86 WeakPolarHBondContact O-CG 3.29Å; K82-L86 PolarHBondContact O-N 3.19Å; I83-L86 PolarHBondContact O-N 3.31Å; K84-L86 VanDerWaalsContact C-N 3.35Å; L86-A88 VanDerWaalsContact C-N 3.34Å; L86-K89 HydrophobicContact CD2-CD 4.45Å; L86-K89 PolarHBondContact O-N 3.3Å; L86-I90 VanDerWaalsContact O-CG1 3.31Å; L86-I90 WeakPolarHBondContact O-CG1 3.46Å; L86-I90 PolarHBondContact O-N 2.99Å; L86-E108 HydrophobicContact CD2-CB 4.12Å; L86-K109 HydrophobicContact CB-CB 4.38Å; L86-Y112 HydrophobicContact CD1-CD1 3.49Å; L86-Y112 VanDerWaalsContact CD1-CD1 3.49Å; L86-Y112 HydrophobicContact CD1-CE1 4.36Å; L86-Y112 HydrophobicContact CD1-CG 3.71Å
87D86.6Confident82.6Confident55 Ų5575.5 Ų75.529%0.29439%0.385SS..Hα-helixtrans-66.4-36.3173.7-76.2-28.2000112.1I83 K84 I90 K91 K109I83-D87 WeakPolarHBondContact O-CB 3.43Å; I83-D87 PolarHBondContact O-N 3.35Å; K84-D87 PolarHBondContact O-N 2.74Å; D87-I90 PolarHBondContact O-N 2.9Å; D87-K91 WeakPolarHBondContact O-CG 3.31Å; D87-K91 PolarHBondContact O-N 2.94Å; D87-K109 WeakPolarHBondContact OD1-CE 3.16Å; D87-K109 IonicContact OD1-NZ 4Å; D87-K109 PolarHBondContact OD1-NZ 3.38Å; D87-K109 IonicContact OD2-NZ 2.73Å
88A87.3Confident82.5Confident43 Ų4374.1 Ų74.136%0.35538%0.382SS..Hα-helixtrans-64.3-46.8171.900000110.9K84 E85 L86 I90 K91 D92K84-A88 WeakPolarHBondContact O-CB 3.34Å; K84-A88 PolarHBondContact O-N 3.06Å; E85-A88 PolarHBondContact O-N 3.44Å; L86-A88 VanDerWaalsContact C-N 3.34Å; A88-I90 VanDerWaalsContact C-N 3.29Å; A88-I90 PolarHBondContact O-N 2.72Å; A88-K91 PolarHBondContact O-N 3.01Å; A88-K91 VanDerWaalsContact O-N 3.1Å; A88-D92 WeakPolarHBondContact O-CB 3.45Å; A88-D92 PolarHBondContact O-N 2.95Å
89K83.6Confident82.3Confident103 Ų10377.3 Ų77.345%0.44840%0.398SS..Hα-helixtrans-58-38.9174.7-73.4-177.9-177.6-174.70113E85 L86 A93 E108E85-K89 WeakPolarHBondContact O-CG 3.49Å; E85-K89 PolarHBondContact O-N 2.73Å; L86-K89 HydrophobicContact CD2-CD 4.45Å; L86-K89 PolarHBondContact O-N 3.3Å; K89-A93 VanDerWaalsContact O-CB 3.23Å; K89-A93 WeakPolarHBondContact O-CB 3.33Å; K89-A93 PolarHBondContact O-N 3.08Å; K89-E108 IonicContact NZ-OE2 3.42Å; K89-E108 PolarHBondContact NZ-OE2 2.77Å
90I82.4Confident82.2Confident15 Ų1580.5 Ų80.58%0.07742%0.418CS..Hα-helixtrans-65.5-43.7176.5-70.1166.8000110.4L86 D87 A88 A93 E94 A105 M106 K109L86-I90 VanDerWaalsContact O-CG1 3.31Å; L86-I90 WeakPolarHBondContact O-CG1 3.46Å; L86-I90 PolarHBondContact O-N 2.99Å; D87-I90 PolarHBondContact O-N 2.9Å; A88-I90 VanDerWaalsContact C-N 3.29Å; A88-I90 PolarHBondContact O-N 2.72Å; I90-A93 PolarHBondContact O-N 3.04Å; I90-E94 HydrophobicContact CG2-CG 4.43Å; I90-E94 WeakPolarHBondContact O-CB 3.14Å; I90-E94 WeakPolarHBondContact O-CG 3.27Å; I90-E94 PolarHBondContact O-N 3.48Å; I90-A105 HydrophobicContact CG1-CB 3.88Å; I90-M106 HydrophobicContact CD1-CG 4.32Å; I90-M106 HydrophobicContact CG1-CG 4.47Å; I90-M106 HydrophobicContact CG2-CE 4.04Å; I90-K109 HydrophobicContact CD1-CB 4.04Å; I90-K109 HydrophobicContact CD1-CD 3.43Å; I90-K109 VanDerWaalsContact CD1-CD 3.43Å; I90-K109 HydrophobicContact CD1-CG 4.37Å
91K83.8Confident82Confident130 Ų13079.4 Ų79.457%0.56541%0.413SS*.Hα-helixtrans-64.3-44.7176.3-71.7177.5-179.1-176.40112.1D87 A88 A93 E94 E95D87-K91 WeakPolarHBondContact O-CG 3.31Å; D87-K91 PolarHBondContact O-N 2.94Å; A88-K91 PolarHBondContact O-N 3.01Å; A88-K91 VanDerWaalsContact O-N 3.1Å; K91-A93 PolarHBondContact O-N 2.91Å; K91-E94 PolarHBondContact O-N 3.08Å; K91-E94 VanDerWaalsContact O-N 3.13Å; K91-E95 WeakPolarHBondContact O-CB 3.02Å; K91-E95 WeakPolarHBondContact O-CG 3.05Å; K91-E95 PolarHBondContact O-N 2.81Å
92D83.2Confident81.7Confident83 Ų8378.2 Ų78.244%0.44440%0.4SS..Hα-helixtrans-61-38.1176.9-65.9-23.1000111A88 N96A88-D92 WeakPolarHBondContact O-CB 3.45Å; A88-D92 PolarHBondContact O-N 2.95Å; D92-N96 WeakPolarHBondContact O-CB 3.23Å; D92-N96 PolarHBondContact O-N 3.34Å; D92-N96 PolarHBondContact O-ND2 3.37Å
93A81Confident81.4Confident3 Ų376.7 Ų76.73%0.02539%0.392CS..Hα-helixtrans-70.7-36.6175.200000112.7K89 I90 K91 L97 I102K89-A93 VanDerWaalsContact O-CB 3.23Å; K89-A93 WeakPolarHBondContact O-CB 3.33Å; K89-A93 PolarHBondContact O-N 3.08Å; I90-A93 PolarHBondContact O-N 3.04Å; K91-A93 PolarHBondContact O-N 2.91Å; A93-L97 HydrophobicContact CB-CB 4.43Å; A93-L97 HydrophobicContact CB-CD1 4.16Å; A93-L97 CarbonylContact O-C 3.59Å; A93-L97 WeakPolarHBondContact O-CA 3.27Å; A93-L97 WeakPolarHBondContact O-CB 3.41Å; A93-L97 PolarHBondContact O-N 3.31Å; A93-I102 HydrophobicContact CB-CG1 4.05Å; A93-I102 WeakPolarHBondContact O-CG1 3.48Å
94E79.5Confident81.3Confident102 Ų10278.3 Ų78.348%0.47740%0.404SS..Hα-helixtrans-69.8-33.4175.3-75.5179.416700112.4I90 K91 I102 K132I90-E94 HydrophobicContact CG2-CG 4.43Å; I90-E94 WeakPolarHBondContact O-CB 3.14Å; I90-E94 WeakPolarHBondContact O-CG 3.27Å; I90-E94 PolarHBondContact O-N 3.48Å; K91-E94 PolarHBondContact O-N 3.08Å; K91-E94 VanDerWaalsContact O-N 3.13Å; E94-I102 HydrophobicContact CG-CD1 4.06Å; E94-I102 HydrophobicContact CG-CG1 4.2Å; E94-I102 HydrophobicContact CG-CG2 4.31Å; E94-K132 IonicContact OE1-NZ 3.29Å
95E82.7Confident81.1Confident152 Ų15272.3 Ų72.371%0.7138%0.379SS*.Hα-helixtrans-83.2-39.4-179.1-71.4-178.9-175.500113.2K91K91-E95 WeakPolarHBondContact O-CB 3.02Å; K91-E95 WeakPolarHBondContact O-CG 3.05Å; K91-E95 PolarHBondContact O-N 2.81Å
96N76.6Confident80.9Confident123 Ų12367 Ų6766%0.65836%0.355SS*.Hα-helixtrans-113.7-19.1-168.8-59.6-64.1000114.8D92D92-N96 WeakPolarHBondContact O-CB 3.23Å; D92-N96 PolarHBondContact O-N 3.34Å; D92-N96 PolarHBondContact O-ND2 3.37Å
97L69.9Low80.8Confident77 Ų7767.8 Ų67.840%0.40336%0.359SS..SBendtrans-126.5161.2-162.4-56.7160.4000112.4A93 E101A93-L97 HydrophobicContact CB-CB 4.43Å; A93-L97 HydrophobicContact CB-CD1 4.16Å; A93-L97 CarbonylContact O-C 3.59Å; A93-L97 WeakPolarHBondContact O-CA 3.27Å; A93-L97 WeakPolarHBondContact O-CB 3.41Å; A93-L97 PolarHBondContact O-N 3.31Å; L97-E101 HydrophobicContact CB-CB 3.86Å; L97-E101 HydrophobicContact CB-CG 4.31Å; L97-E101 WeakPolarHBondContact CB-OE2 3.37Å; L97-E101 HydrophobicContact CD1-CB 4.34Å; L97-E101 WeakPolarHBondContact CD1-OE2 3.32Å; L97-E101 WeakPolarHBondContact CD2-OE2 3.48Å; L97-E101 VanDerWaalsContact CG-OE2 3.28Å; L97-E101 WeakPolarHBondContact CG-OE2 3.27Å
98G77.7Confident80.7Confident41 Ų4169.5 Ų69.542%0.42337%0.365SS..  trans-76.7170.7-177.200000114T100 E101 I102G98-T100 PolarHBondContact O-N 3.19Å; G98-E101 PolarHBondContact O-N 3.1Å; G98-I102 PolarHBondContact O-N 3.29Å
99D78Confident80.5Confident120 Ų12068.7 Ų68.764%0.64235%0.353SS*.Hα-helixtrans-53.4-24.9-179.4-69.5-33.9000114.8R103D99-R103 VanDerWaalsContact O-CG 3.28Å; D99-R103 WeakPolarHBondContact O-CG 3.32Å; D99-R103 PolarHBondContact O-N 2.93Å; D99-R103 PolarHBondContact O-NE 2.81Å
100T78.7Confident80.4Confident87 Ų8763.8 Ų63.853%0.53433%0.332SS..Hα-helixtrans-68.8-40.5177.544.50000112.1G98 R103 T104G98-T100 PolarHBondContact O-N 3.19Å; T100-R103 PolarHBondContact O-N 3.36Å; T100-T104 PolarHBondContact O-N 3.31Å; T100-T104 VanDerWaalsContact O-N 3.15Å
101E77.3Confident80.5Confident87 Ų8764.3 Ų64.341%0.40733%0.334SS..Hα-helixtrans-80.6-33.9-176.1-63-173.1-145.500111.6L97 G98 R103 T104 A105L97-E101 HydrophobicContact CB-CB 3.86Å; L97-E101 HydrophobicContact CB-CG 4.31Å; L97-E101 WeakPolarHBondContact CB-OE2 3.37Å; L97-E101 HydrophobicContact CD1-CB 4.34Å; L97-E101 WeakPolarHBondContact CD1-OE2 3.32Å; L97-E101 WeakPolarHBondContact CD2-OE2 3.48Å; L97-E101 VanDerWaalsContact CG-OE2 3.28Å; L97-E101 WeakPolarHBondContact CG-OE2 3.27Å; G98-E101 PolarHBondContact O-N 3.1Å; E101-R103 PolarHBondContact O-N 3.43Å; E101-T104 WeakPolarHBondContact CA-OG1 3.32Å; E101-T104 PolarHBondContact O-N 3.27Å; E101-T104 PolarHBondContact O-OG1 3.45Å; E101-A105 WeakPolarHBondContact O-CB 2.9Å; E101-A105 PolarHBondContact O-N 3.03Å
102I81Confident80.4Confident21 Ų2159.4 Ų59.411%0.10831%0.312CS..Hα-helixtrans-56.7-43.2168.6-62.1172.9000109.9A93 E94 G98 M106A93-I102 HydrophobicContact CB-CG1 4.05Å; A93-I102 WeakPolarHBondContact O-CG1 3.48Å; E94-I102 HydrophobicContact CG-CD1 4.06Å; E94-I102 HydrophobicContact CG-CG1 4.2Å; E94-I102 HydrophobicContact CG-CG2 4.31Å; G98-I102 PolarHBondContact O-N 3.29Å; I102-M106 HydrophobicContact CG2-CE 3.27Å; I102-M106 HydrophobicContact CG2-SD 3.96Å; I102-M106 WeakPolarHBondContact O-CB 3.2Å; I102-M106 VanDerWaalsContact O-CG 3.24Å; I102-M106 WeakPolarHBondContact O-CG 3.3Å; I102-M106 PolarHBondContact O-N 3.47Å
103R76.8Confident80.3Confident50 Ų5056.1 Ų56.119%0.18929%0.294CS..Hα-helixtrans-66.8-43179.1-79.7179.3-80.3165.8-9.9112.8D99 T100 E101 M106 M107 F138D99-R103 VanDerWaalsContact O-CG 3.28Å; D99-R103 WeakPolarHBondContact O-CG 3.32Å; D99-R103 PolarHBondContact O-N 2.93Å; D99-R103 PolarHBondContact O-NE 2.81Å; T100-R103 PolarHBondContact O-N 3.36Å; E101-R103 PolarHBondContact O-N 3.43Å; R103-M106 PolarHBondContact O-N 3.07Å; R103-M107 VanDerWaalsContact O-CB 3.32Å; R103-M107 WeakPolarHBondContact O-CB 3.44Å; R103-M107 PolarHBondContact O-N 3.42Å; R103-F138 HydrophobicContact CB-CZ 4.4Å
104T81.2Confident80.2Confident77 Ų7756.2 Ų56.247%0.47230%0.295SS..Hα-helixtrans-65.8-42.5177.251.80000111.2T100 E101 M106 M107 E108T100-T104 PolarHBondContact O-N 3.31Å; T100-T104 VanDerWaalsContact O-N 3.15Å; E101-T104 WeakPolarHBondContact CA-OG1 3.32Å; E101-T104 PolarHBondContact O-N 3.27Å; E101-T104 PolarHBondContact O-OG1 3.45Å; T104-M106 PolarHBondContact O-N 3.31Å; T104-M107 PolarHBondContact O-N 3.33Å; T104-E108 WeakPolarHBondContact O-CG 3.31Å; T104-E108 PolarHBondContact O-N 3.18Å
105A83.5Confident80.2Confident9 Ų954.3 Ų54.37%0.07429%0.285CS..Hα-helixtrans-63-41.9176.500000112.2I90 E101 M107 E108 K109I90-A105 HydrophobicContact CG1-CB 3.88Å; E101-A105 WeakPolarHBondContact O-CB 2.9Å; E101-A105 PolarHBondContact O-N 3.03Å; A105-M107 VanDerWaalsContact C-N 3.33Å; A105-M107 PolarHBondContact O-N 2.86Å; A105-E108 PolarHBondContact O-N 3.27Å; A105-K109 PolarHBondContact O-N 2.96Å
106M83.8Confident79.9Confident10 Ų1047.1 Ų47.15%0.04925%0.251CS..Hα-helixtrans-64.1-38.9174.1-73.6177-170.500112.1I90 I102 R103 T104 K109 A110 I129 K132I90-M106 HydrophobicContact CD1-CG 4.32Å; I90-M106 HydrophobicContact CG1-CG 4.47Å; I90-M106 HydrophobicContact CG2-CE 4.04Å; I102-M106 HydrophobicContact CG2-CE 3.27Å; I102-M106 HydrophobicContact CG2-SD 3.96Å; I102-M106 WeakPolarHBondContact O-CB 3.2Å; I102-M106 VanDerWaalsContact O-CG 3.24Å; I102-M106 WeakPolarHBondContact O-CG 3.3Å; I102-M106 PolarHBondContact O-N 3.47Å; R103-M106 PolarHBondContact O-N 3.07Å; T104-M106 PolarHBondContact O-N 3.31Å; M106-K109 PolarHBondContact O-N 3.04Å; M106-A110 WeakPolarHBondContact O-CB 3.46Å; M106-A110 PolarHBondContact O-N 3.35Å; M106-I129 HydrophobicContact CB-CD1 4.16Å; M106-I129 HydrophobicContact CB-CG1 3.93Å; M106-K132 HydrophobicContact CE-CD 4.21Å; M106-K132 HydrophobicContact SD-CD 3.86Å
107M82.6Confident79.7Confident36 Ų3641.4 Ų41.418%0.17722%0.221CC..Hα-helixtrans-67.2-42.5177.5-174.2152.8-179.600111.8R103 T104 A105 K109 A110 H111 F138R103-M107 VanDerWaalsContact O-CB 3.32Å; R103-M107 WeakPolarHBondContact O-CB 3.44Å; R103-M107 PolarHBondContact O-N 3.42Å; T104-M107 PolarHBondContact O-N 3.33Å; A105-M107 VanDerWaalsContact C-N 3.33Å; A105-M107 PolarHBondContact O-N 2.86Å; M107-K109 VanDerWaalsContact C-N 3.32Å; M107-K109 PolarHBondContact O-N 3.35Å; M107-A110 PolarHBondContact O-N 3.12Å; M107-H111 WeakPolarHBondContact CE-NE2 3.43Å; M107-H111 WeakPolarHBondContact CG-NE2 3.28Å; M107-H111 PolarHBondContact O-CD2 3.2Å; M107-H111 VanDerWaalsContact O-CD2 3.23Å; M107-H111 VanDerWaalsContact O-CG 3.32Å; M107-H111 PolarHBondContact O-N 2.9Å; M107-F138 HydrophobicContact CB-CZ 4.4Å; M107-F138 HydrophobicContact SD-CD2 4.32Å; M107-F138 HydrophobicContact SD-CE2 3.31Å; M107-F138 WeakPolarHBondContact SD-CE2 3.39Å; M107-F138 HydrophobicContact SD-CZ 3.55Å; M107-F138 VanDerWaalsContact SD-CZ 3.55Å
108E83.1Confident80Confident90 Ų9040.7 Ų40.742%0.42122%0.218SC..Hα-helixtrans-57.2-45.4171.7-76.3-178.6-164.300111.5L86 K89 T104 A105 A110 H111 Y112L86-E108 HydrophobicContact CD2-CB 4.12Å; K89-E108 IonicContact NZ-OE2 3.42Å; K89-E108 PolarHBondContact NZ-OE2 2.77Å; T104-E108 WeakPolarHBondContact O-CG 3.31Å; T104-E108 PolarHBondContact O-N 3.18Å; A105-E108 PolarHBondContact O-N 3.27Å; E108-A110 VanDerWaalsContact C-N 3.35Å; E108-A110 PolarHBondContact O-N 2.81Å; E108-H111 PolarHBondContact O-N 2.85Å; E108-Y112 WeakPolarHBondContact O-CB 3.17Å; E108-Y112 PolarHBondContact O-N 3.28Å
109K84.1Confident80Confident26 Ų2641.9 Ų41.911%0.11321%0.212CC..Hα-helixtrans-61.2-44.1175.5-177.8176.8175.6-177.90111.9L86 D87 I90 A105 M106 M107 Y112 L113L86-K109 HydrophobicContact CB-CB 4.38Å; D87-K109 WeakPolarHBondContact OD1-CE 3.16Å; D87-K109 IonicContact OD1-NZ 4Å; D87-K109 PolarHBondContact OD1-NZ 3.38Å; D87-K109 IonicContact OD2-NZ 2.73Å; I90-K109 HydrophobicContact CD1-CB 4.04Å; I90-K109 HydrophobicContact CD1-CD 3.43Å; I90-K109 VanDerWaalsContact CD1-CD 3.43Å; I90-K109 HydrophobicContact CD1-CG 4.37Å; A105-K109 PolarHBondContact O-N 2.96Å; M106-K109 PolarHBondContact O-N 3.04Å; M107-K109 VanDerWaalsContact C-N 3.32Å; M107-K109 PolarHBondContact O-N 3.35Å; K109-Y112 PolarHBondContact O-N 3.34Å; K109-L113 HydrophobicContact CG-CD1 4.22Å; K109-L113 WeakPolarHBondContact O-CG 3.43Å; K109-L113 PolarHBondContact O-N 2.91Å
110A82.5Confident80.2Confident0 Ų043.8 Ų43.80%022%0.217CC..Hα-helixtrans-66.9-38.7179.100000112.3M106 M107 E108 Y112 S114 Q125 F126 I129M106-A110 WeakPolarHBondContact O-CB 3.46Å; M106-A110 PolarHBondContact O-N 3.35Å; M107-A110 PolarHBondContact O-N 3.12Å; E108-A110 VanDerWaalsContact C-N 3.35Å; E108-A110 PolarHBondContact O-N 2.81Å; A110-Y112 VanDerWaalsContact C-N 3.34Å; A110-S114 VanDerWaalsContact O-CB 3.32Å; A110-S114 WeakPolarHBondContact O-CB 3.33Å; A110-S114 PolarHBondContact O-N 3.42Å; A110-S114 PolarHBondContact O-OG 2.81Å; A110-Q125 HydrophobicContact CB-CB 4.33Å; A110-F126 HydrophobicContact CB-CD1 3.86Å; A110-F126 HydrophobicContact CB-CE1 3.45Å; A110-F126 VanDerWaalsContact CB-CE1 3.45Å; A110-F126 HydrophobicContact CB-CE2 4.08Å; A110-F126 HydrophobicContact CB-CG 4.41Å; A110-F126 HydrophobicContact CB-CZ 3.57Å; A110-I129 HydrophobicContact CB-CD1 3.68Å
111H82.5Confident80.2Confident26 Ų2640.5 Ų40.512%0.1220%0.2CC..Hα-helixtrans-62.7-42.1171.5-70.3-32.1000111.6I14 M107 E108 S114 K115 H145I14-H111 HydrophobicContact CG2-CB 4.44Å; I14-H111 WeakPolarHBondContact CG2-O 2.91Å; M107-H111 WeakPolarHBondContact CE-NE2 3.43Å; M107-H111 WeakPolarHBondContact CG-NE2 3.28Å; M107-H111 PolarHBondContact O-CD2 3.2Å; M107-H111 VanDerWaalsContact O-CD2 3.23Å; M107-H111 VanDerWaalsContact O-CG 3.32Å; M107-H111 PolarHBondContact O-N 2.9Å; E108-H111 PolarHBondContact O-N 2.85Å; H111-S114 WeakPolarHBondContact O-CB 3.38Å; H111-S114 PolarHBondContact O-N 3.29Å; H111-K115 VanDerWaalsContact O-CB 3.29Å; H111-K115 WeakPolarHBondContact O-CB 3.18Å; H111-K115 PolarHBondContact O-N 3.42Å; H111-H145 AromaticContact CE1-CD2 3.3Å; H111-H145 PolarHBondContact CE1-CD2 3.1Å; H111-H145 AromaticContact CE1-CE1 3.53Å; H111-H145 AromaticContact CE1-NE2 2.95Å; H111-H145 PolarHBondContact CE1-NE2 3.16Å; H111-H145 AromaticContact ND1-CD2 3.55Å; H111-H145 AromaticContact ND1-NE2 3.58Å; H111-H145 AromaticContact NE2-NE2 3.89Å
112Y82.6Confident80.4Confident28 Ų2836.4 Ų36.411%0.1118%0.181CC..Hα-helixtrans-64-47.4178.4-171.6-117.4000111.8N79 K82 I83 L86 E108 K109 A110 S114 K115 I116N79-Y112 WeakPolarHBondContact CA-OH 3.04Å; N79-Y112 WeakPolarHBondContact OD1-CE1 3.16Å; K82-Y112 HydrophobicContact CB-CD1 4.32Å; K82-Y112 HydrophobicContact CB-CE1 3.43Å; K82-Y112 VanDerWaalsContact CB-CE1 3.43Å; K82-Y112 HydrophobicContact CB-CE2 4.31Å; K82-Y112 VanDerWaalsContact CB-CZ 3.49Å; K82-Y112 HydrophobicContact CD-CE1 4.3Å; K82-Y112 HydrophobicContact CD-CE2 3.68Å; K82-Y112 VanDerWaalsContact CD-CZ 3.47Å; K82-Y112 VanDerWaalsContact CD-OH 3.23Å; K82-Y112 WeakPolarHBondContact CD-OH 3.46Å; I83-Y112 HydrophobicContact CG1-CD1 4.26Å; I83-Y112 HydrophobicContact CG1-CE1 4.04Å; L86-Y112 HydrophobicContact CD1-CD1 3.49Å; L86-Y112 VanDerWaalsContact CD1-CD1 3.49Å; L86-Y112 HydrophobicContact CD1-CE1 4.36Å; L86-Y112 HydrophobicContact CD1-CG 3.71Å; E108-Y112 WeakPolarHBondContact O-CB 3.17Å; E108-Y112 PolarHBondContact O-N 3.28Å; K109-Y112 PolarHBondContact O-N 3.34Å; A110-Y112 VanDerWaalsContact C-N 3.34Å; Y112-S114 VanDerWaalsContact C-N 3.29Å; Y112-S114 PolarHBondContact O-N 2.95Å; Y112-K115 WeakPolarHBondContact O-CA 3.21Å; Y112-K115 VanDerWaalsContact O-CB 3.32Å; Y112-K115 WeakPolarHBondContact O-CB 3.48Å; Y112-K115 PolarHBondContact O-N 2.96Å; Y112-K115 VanDerWaalsContact O-N 3.08Å; Y112-I116 HydrophobicContact CD1-CD1 3.52Å; Y112-I116 HydrophobicContact CD2-CD1 4.39Å; Y112-I116 HydrophobicContact CE1-CD1 3.29Å; Y112-I116 HydrophobicContact CE1-CG1 4.26Å; Y112-I116 HydrophobicContact CE2-CD1 4.14Å; Y112-I116 HydrophobicContact CE2-CG1 4.31Å; Y112-I116 HydrophobicContact CG-CD1 4.08Å; Y112-I116 VanDerWaalsContact O-CD1 3.32Å; Y112-I116 WeakPolarHBondContact O-CD1 3.41Å; Y112-I116 VanDerWaalsContact O-CG1 3.31Å; Y112-I116 WeakPolarHBondContact O-CG1 3.37Å; Y112-I116 PolarHBondContact O-N 3.31Å
113L81.9Confident80.6Confident14 Ų1436.5 Ų36.57%0.07318%0.181CC..Hα-helixtrans-60.4-39.4175-69171.5000112.3I83 K109 K115 I116 G117 D118 S122 Q125I83-L113 HydrophobicContact CD1-CD2 4.25Å; K109-L113 HydrophobicContact CG-CD1 4.22Å; K109-L113 WeakPolarHBondContact O-CG 3.43Å; K109-L113 PolarHBondContact O-N 2.91Å; L113-K115 VanDerWaalsContact C-N 3.31Å; L113-K115 PolarHBondContact O-N 3.39Å; L113-I116 PolarHBondContact O-N 3.07Å; L113-G117 PolarHBondContact O-N 3.16Å; L113-G117 VanDerWaalsContact O-N 3.1Å; L113-D118 PolarHBondContact O-N 3.07Å; L113-S122 WeakPolarHBondContact CB-OG 2.95Å; L113-S122 PolarHBondContact O-OG 3.05Å; L113-Q125 HydrophobicContact CD1-CB 4.4Å; L113-Q125 HydrophobicContact CD1-CG 3.63Å
114S79.1Confident81Confident5 Ų536.8 Ų36.84%0.03519%0.191CC..Hα-helixtrans-65.1-37.2175.3-59.30000111.8A110 H111 Y112 G117 S122 F126 I149A110-S114 VanDerWaalsContact O-CB 3.32Å; A110-S114 WeakPolarHBondContact O-CB 3.33Å; A110-S114 PolarHBondContact O-N 3.42Å; A110-S114 PolarHBondContact O-OG 2.81Å; H111-S114 WeakPolarHBondContact O-CB 3.38Å; H111-S114 PolarHBondContact O-N 3.29Å; Y112-S114 VanDerWaalsContact C-N 3.29Å; Y112-S114 PolarHBondContact O-N 2.95Å; S114-G117 PolarHBondContact O-N 2.93Å; S114-S122 PolarHBondContact N-OG 3.23Å; S114-F126 VanDerWaalsContact OG-CE2 3.27Å; S114-F126 WeakPolarHBondContact OG-CE2 3.02Å; S114-I149 WeakPolarHBondContact OG-CD1 3.32Å
115K78.1Confident81Confident61 Ų6134.7 Ų34.727%0.26518%0.176SC..Hα-helixtrans-66.3-39.4176.1-174171.2177.7165.10111I14 D50 M52 H111 Y112 L113 G117I14-K115 HydrophobicContact CG2-CB 3.91Å; D50-K115 VanDerWaalsContact CB-CE 3.42Å; D50-K115 HydrophobicContact CB-CG 4.35Å; D50-K115 WeakPolarHBondContact OD1-CE 3.49Å; D50-K115 IonicContact OD1-NZ 3.78Å; D50-K115 PolarHBondContact OD1-NZ 3.41Å; M52-K115 HydrophobicContact CE-CG 4.41Å; M52-K115 WeakPolarHBondContact CE-O 3.48Å; M52-K115 WeakPolarHBondContact CG-O 3.44Å; M52-K115 VanDerWaalsContact SD-O 3.4Å; H111-K115 VanDerWaalsContact O-CB 3.29Å; H111-K115 WeakPolarHBondContact O-CB 3.18Å; H111-K115 PolarHBondContact O-N 3.42Å; Y112-K115 WeakPolarHBondContact O-CA 3.21Å; Y112-K115 VanDerWaalsContact O-CB 3.32Å; Y112-K115 WeakPolarHBondContact O-CB 3.48Å; Y112-K115 PolarHBondContact O-N 2.96Å; Y112-K115 VanDerWaalsContact O-N 3.08Å; L113-K115 VanDerWaalsContact C-N 3.31Å; L113-K115 PolarHBondContact O-N 3.39Å; K115-G117 VanDerWaalsContact C-N 3.26Å; K115-G117 PolarHBondContact O-N 3.22Å
116I76.5Confident81Confident1 Ų134.4 Ų34.41%0.00517%0.173CC..Hα-helixtrans-69.3-28.1177.6-68.1154.4000111.9P54 N79 Y112 L113P54-I116 WeakPolarHBondContact CD-O 3.42Å; P54-I116 HydrophobicContact CG-CG2 3.56Å; N79-I116 WeakPolarHBondContact OD1-CD1 3.47Å; Y112-I116 HydrophobicContact CD1-CD1 3.52Å; Y112-I116 HydrophobicContact CD2-CD1 4.39Å; Y112-I116 HydrophobicContact CE1-CD1 3.29Å; Y112-I116 HydrophobicContact CE1-CG1 4.26Å; Y112-I116 HydrophobicContact CE2-CD1 4.14Å; Y112-I116 HydrophobicContact CE2-CG1 4.31Å; Y112-I116 HydrophobicContact CG-CD1 4.08Å; Y112-I116 VanDerWaalsContact O-CD1 3.32Å; Y112-I116 WeakPolarHBondContact O-CD1 3.41Å; Y112-I116 VanDerWaalsContact O-CG1 3.31Å; Y112-I116 WeakPolarHBondContact O-CG1 3.37Å; Y112-I116 PolarHBondContact O-N 3.31Å; L113-I116 PolarHBondContact O-N 3.07Å
117G71.7Confident81.1Confident3 Ų341.3 Ų41.33%0.03120%0.199CC..THydrogen-bonded Turntrans85.228.6-177.300000113.3L113 S114 K115 K119 F153L113-G117 PolarHBondContact O-N 3.16Å; L113-G117 VanDerWaalsContact O-N 3.1Å; S114-G117 PolarHBondContact O-N 2.93Å; K115-G117 VanDerWaalsContact C-N 3.26Å; K115-G117 PolarHBondContact O-N 3.22Å; G117-K119 PolarHBondContact O-N 3.27Å; G117-F153 WeakPolarHBondContact O-CZ 3.2Å
118D76.7Confident81.2Confident62 Ų6243.6 Ų43.633%0.33221%0.211SC..  trans-85.4106.6167-178.514.3000110.1P54 L113 E120 G121 S122P54-D118 HydrophobicContact CG-CB 4.44Å; L113-D118 PolarHBondContact O-N 3.07Å; D118-E120 PolarHBondContact OD1-N 3.24Å; D118-G121 WeakPolarHBondContact OD2-CA 3.37Å; D118-G121 PolarHBondContact OD2-N 2.87Å; D118-S122 WeakPolarHBondContact O-CB 3.31Å; D118-S122 PolarHBondContact O-N 3.36Å; D118-S122 PolarHBondContact O-OG 2.97Å
119K77.3Confident81.1Confident67 Ų6739.4 Ų39.429%0.29119%0.192SC..Hα-helixtrans-65.4-47.3-176.1-176.1177.5164.8-175.80112G117 L123 F153 D155G117-K119 PolarHBondContact O-N 3.27Å; K119-L123 HydrophobicContact CG-CD1 4Å; K119-L123 WeakPolarHBondContact O-CB 3.47Å; K119-L123 WeakPolarHBondContact O-CG 3.28Å; K119-L123 PolarHBondContact O-N 3.11Å; K119-L123 VanDerWaalsContact O-N 3.1Å; K119-F153 HydrophobicContact CB-CD2 4.08Å; K119-F153 HydrophobicContact CB-CE1 4.26Å; K119-F153 HydrophobicContact CB-CE2 3.56Å; K119-F153 HydrophobicContact CB-CZ 3.68Å; K119-F153 HydrophobicContact CD-CB 4.46Å; K119-F153 HydrophobicContact CD-CD1 4.38Å; K119-F153 HydrophobicContact CD-CD2 3.94Å; K119-F153 HydrophobicContact CD-CE2 4.29Å; K119-F153 HydrophobicContact CD-CG 4Å; K119-F153 HydrophobicContact CG-CD2 3.91Å; K119-F153 HydrophobicContact CG-CE2 3.89Å; K119-F153 HydrophobicContact CG-CG 4.46Å; K119-F153 HydrophobicContact CG-CZ 4.42Å; K119-D155 WeakPolarHBondContact CE-OD2 3.25Å; K119-D155 IonicContact NZ-OD1 3.14Å; K119-D155 PolarHBondContact NZ-OD1 3.49Å; K119-D155 IonicContact NZ-OD2 3.94Å; K119-D155 PolarHBondContact NZ-OD2 3.28Å
120E82.4Confident81Confident160 Ų16040 Ų4075%0.74820%0.196SC*.Hα-helixtrans-76.5-45-170.3-64.9-174174.200111.2D118 S122 L123 S124D118-E120 PolarHBondContact OD1-N 3.24Å; E120-S122 VanDerWaalsContact C-N 3.34Å; E120-S122 PolarHBondContact O-N 3.35Å; E120-L123 PolarHBondContact O-N 3.14Å; E120-S124 PolarHBondContact O-N 3.43Å
121G80Confident81Confident17 Ų1746.6 Ų46.618%0.17523%0.231CC..Hα-helixtrans-56.8-47.6173.900000111.7D118 S124 Q125D118-G121 WeakPolarHBondContact OD2-CA 3.37Å; D118-G121 PolarHBondContact OD2-N 2.87Å; G121-S124 PolarHBondContact O-N 3.03Å; G121-S124 PolarHBondContact O-OG 3.1Å; G121-Q125 PolarHBondContact O-N 3Å; G121-Q125 VanDerWaalsContact O-N 3.16Å
122S80.7Confident80.8Confident1 Ų150.2 Ų50.21%0.00725%0.247CC..Hα-helixtrans-62.2-47.1179-58.70000112.3L113 S114 D118 E120 S124 Q125 F126L113-S122 WeakPolarHBondContact CB-OG 2.95Å; L113-S122 PolarHBondContact O-OG 3.05Å; S114-S122 PolarHBondContact N-OG 3.23Å; D118-S122 WeakPolarHBondContact O-CB 3.31Å; D118-S122 PolarHBondContact O-N 3.36Å; D118-S122 PolarHBondContact O-OG 2.97Å; E120-S122 VanDerWaalsContact C-N 3.34Å; E120-S122 PolarHBondContact O-N 3.35Å; S122-S124 VanDerWaalsContact C-N 3.31Å; S122-S124 PolarHBondContact O-N 3.47Å; S122-Q125 PolarHBondContact O-N 2.95Å; S122-F126 WeakPolarHBondContact O-CD2 3.45Å; S122-F126 PolarHBondContact O-N 3.17Å
123L84.7Confident80.4Confident23 Ų2349 Ų4912%0.1224%0.242CC..Hα-helixtrans-62.9-37.3-178.9-73.1173.3000112.6K119 E120 R127 I146 L158K119-L123 HydrophobicContact CG-CD1 4Å; K119-L123 WeakPolarHBondContact O-CB 3.47Å; K119-L123 WeakPolarHBondContact O-CG 3.28Å; K119-L123 PolarHBondContact O-N 3.11Å; K119-L123 VanDerWaalsContact O-N 3.1Å; E120-L123 PolarHBondContact O-N 3.14Å; L123-R127 VanDerWaalsContact O-CG 3.28Å; L123-R127 WeakPolarHBondContact O-CG 3.28Å; L123-R127 PolarHBondContact O-N 2.9Å; L123-R127 VanDerWaalsContact O-N 3.11Å; L123-I146 HydrophobicContact CD2-CG2 3.7Å; L123-L158 HydrophobicContact CD1-CD2 4.27Å; L123-L158 HydrophobicContact CD2-CD1 4.33Å; L123-L158 HydrophobicContact CD2-CD2 3.98Å
124S85Confident79.8Confident57 Ų5755.3 Ų55.340%0.39928%0.275SS..Hα-helixtrans-65.1-45.8176.171.50000111.9E120 G121 S122 R127 L128E120-S124 PolarHBondContact O-N 3.43Å; G121-S124 PolarHBondContact O-N 3.03Å; G121-S124 PolarHBondContact O-OG 3.1Å; S122-S124 VanDerWaalsContact C-N 3.31Å; S122-S124 PolarHBondContact O-N 3.47Å; S124-R127 PolarHBondContact O-N 3.33Å; S124-L128 WeakPolarHBondContact O-CG 3.45Å; S124-L128 PolarHBondContact O-N 3.5Å; S124-L128 VanDerWaalsContact O-N 3.13Å
125Q82.1Confident79.8Confident33 Ų3360.8 Ų60.815%0.15430%0.301CS..Hα-helixtrans-64.4-42.6177.8-68.8-59.8-45.900111.7A110 L113 G121 S122 R127 L128 I129A110-Q125 HydrophobicContact CB-CB 4.33Å; L113-Q125 HydrophobicContact CD1-CB 4.4Å; L113-Q125 HydrophobicContact CD1-CG 3.63Å; G121-Q125 PolarHBondContact O-N 3Å; G121-Q125 VanDerWaalsContact O-N 3.16Å; S122-Q125 PolarHBondContact O-N 2.95Å; Q125-R127 VanDerWaalsContact C-N 3.28Å; Q125-R127 PolarHBondContact O-N 3.02Å; Q125-L128 WeakPolarHBondContact O-CB 3.49Å; Q125-L128 PolarHBondContact O-N 3.15Å; Q125-I129 VanDerWaalsContact O-CG1 3.27Å; Q125-I129 WeakPolarHBondContact O-CG1 3.44Å; Q125-I129 PolarHBondContact O-N 3.25Å
126F84.5Confident79.9Confident2 Ų260.5 Ų60.51%0.00931%0.306CS..Hα-helixtrans-64.7-31.8176.8-75.2-57.5000113.4A110 S114 S122 I129 L130 T142 H145 I146 I149A110-F126 HydrophobicContact CB-CD1 3.86Å; A110-F126 HydrophobicContact CB-CE1 3.45Å; A110-F126 VanDerWaalsContact CB-CE1 3.45Å; A110-F126 HydrophobicContact CB-CE2 4.08Å; A110-F126 HydrophobicContact CB-CG 4.41Å; A110-F126 HydrophobicContact CB-CZ 3.57Å; S114-F126 VanDerWaalsContact OG-CE2 3.27Å; S114-F126 WeakPolarHBondContact OG-CE2 3.02Å; S122-F126 WeakPolarHBondContact O-CD2 3.45Å; S122-F126 PolarHBondContact O-N 3.17Å; F126-I129 HydrophobicContact CD1-CD1 4.07Å; F126-I129 PolarHBondContact O-N 3.32Å; F126-L130 VanDerWaalsContact O-CG 3.28Å; F126-L130 WeakPolarHBondContact O-CG 3.45Å; F126-L130 PolarHBondContact O-N 3.21Å; F126-T142 HydrophobicContact CB-CG2 4.24Å; F126-T142 HydrophobicContact CD1-CG2 3.58Å; F126-T142 HydrophobicContact CE1-CG2 4.35Å; F126-T142 HydrophobicContact CG-CG2 4.3Å; F126-H145 HydrophobicContact CE1-CB 4.04Å; F126-H145 HydrophobicContact CZ-CB 3.89Å; F126-I146 HydrophobicContact CB-CD1 3.89Å; F126-I146 HydrophobicContact CB-CG1 3.85Å; F126-I146 HydrophobicContact CD2-CG1 4.15Å; F126-I146 HydrophobicContact CG-CG1 4Å; F126-I149 HydrophobicContact CD2-CD1 3.94Å; F126-I149 HydrophobicContact CE2-CD1 3.41Å; F126-I149 VanDerWaalsContact CE2-CD1 3.41Å; F126-I149 HydrophobicContact CZ-CD1 4.36Å
127R85.2Confident80.1Confident156 Ų15661.2 Ų61.259%0.58931%0.313SS*.Hα-helixtrans-65.4-45.2172.3-73.2172.3-173.4178.63.7111.4L123 S124 Q125 I129 L130 D131L123-R127 VanDerWaalsContact O-CG 3.28Å; L123-R127 WeakPolarHBondContact O-CG 3.28Å; L123-R127 PolarHBondContact O-N 2.9Å; L123-R127 VanDerWaalsContact O-N 3.11Å; S124-R127 PolarHBondContact O-N 3.33Å; Q125-R127 VanDerWaalsContact C-N 3.28Å; Q125-R127 PolarHBondContact O-N 3.02Å; R127-I129 VanDerWaalsContact C-N 3.25Å; R127-I129 PolarHBondContact O-N 3.33Å; R127-L130 WeakPolarHBondContact O-CB 3.46Å; R127-L130 PolarHBondContact O-N 3.35Å; R127-L130 VanDerWaalsContact O-N 3.11Å; R127-D131 PolarHBondContact O-N 2.94Å
128L84Confident80.5Confident83 Ų8363 Ų6344%0.43532%0.32SS..Hα-helixtrans-58.5-39174.8-65.8171.1000112S124 Q125 D131 K132S124-L128 WeakPolarHBondContact O-CG 3.45Å; S124-L128 PolarHBondContact O-N 3.5Å; S124-L128 VanDerWaalsContact O-N 3.13Å; Q125-L128 WeakPolarHBondContact O-CB 3.49Å; Q125-L128 PolarHBondContact O-N 3.15Å; L128-D131 PolarHBondContact O-N 3.29Å; L128-K132 PolarHBondContact O-N 3.48Å; L128-K132 VanDerWaalsContact O-N 3.14Å
129I82.2Confident80.9Confident3 Ų363.4 Ų63.42%0.01532%0.317CS..Hα-helixtrans-65.8-41.8176.5-67.8168.6000111.3M106 A110 Q125 F126 R127 D131 K132 S133 F138 T142M106-I129 HydrophobicContact CB-CD1 4.16Å; M106-I129 HydrophobicContact CB-CG1 3.93Å; A110-I129 HydrophobicContact CB-CD1 3.68Å; Q125-I129 VanDerWaalsContact O-CG1 3.27Å; Q125-I129 WeakPolarHBondContact O-CG1 3.44Å; Q125-I129 PolarHBondContact O-N 3.25Å; F126-I129 HydrophobicContact CD1-CD1 4.07Å; F126-I129 PolarHBondContact O-N 3.32Å; R127-I129 VanDerWaalsContact C-N 3.25Å; R127-I129 PolarHBondContact O-N 3.33Å; I129-D131 VanDerWaalsContact C-N 3.31Å; I129-D131 PolarHBondContact O-N 3.21Å; I129-K132 PolarHBondContact O-N 3.09Å; I129-S133 WeakPolarHBondContact O-CB 3.48Å; I129-S133 PolarHBondContact O-N 3.39Å; I129-F138 HydrophobicContact CG2-CD1 4.44Å; I129-F138 HydrophobicContact CG2-CE1 3.48Å; I129-F138 VanDerWaalsContact CG2-CE1 3.48Å; I129-F138 HydrophobicContact CG2-CZ 4.14Å; I129-T142 HydrophobicContact CB-CG2 4.48Å; I129-T142 HydrophobicContact CG2-CG2 4.09Å
130L80.7Confident81.2Confident39 Ų3960.3 Ų60.320%0.20430%0.304CS..Hα-helixtrans-63.5-37.9177.4-73.7169.9000112F126 R127 R139 T142 I143 I146F126-L130 VanDerWaalsContact O-CG 3.28Å; F126-L130 WeakPolarHBondContact O-CG 3.45Å; F126-L130 PolarHBondContact O-N 3.21Å; R127-L130 WeakPolarHBondContact O-CB 3.46Å; R127-L130 PolarHBondContact O-N 3.35Å; R127-L130 VanDerWaalsContact O-N 3.11Å; L130-R139 HydrophobicContact CD2-CB 4.25Å; L130-R139 HydrophobicContact CD2-CG 4.42Å; L130-T142 HydrophobicContact CD2-CG2 3.94Å; L130-T142 HydrophobicContact CG-CG2 3.94Å; L130-I143 HydrophobicContact CD2-CD1 4.41Å; L130-I143 HydrophobicContact CD2-CG1 4.06Å; L130-I146 HydrophobicContact CD1-CD1 3.91Å
131D82.7Confident81.3Confident137 Ų13754 Ų5473%0.73328%0.275SS*.Hα-helixtrans-69.9-36.5178.7-64.7-24000112.1R127 L128 I129R127-D131 PolarHBondContact O-N 2.94Å; L128-D131 PolarHBondContact O-N 3.29Å; I129-D131 VanDerWaalsContact C-N 3.31Å; I129-D131 PolarHBondContact O-N 3.21Å
132K78.8Confident81.5Confident103 Ų10353.2 Ų53.245%0.44827%0.267SS..Hα-helixtrans-80.8-22.1178.3-70.4-175.4177.3-172.20113.8E94 M106 L128 I129E94-K132 IonicContact OE1-NZ 3.29Å; M106-K132 HydrophobicContact CE-CD 4.21Å; M106-K132 HydrophobicContact SD-CD 3.86Å; L128-K132 PolarHBondContact O-N 3.48Å; L128-K132 VanDerWaalsContact O-N 3.14Å; I129-K132 PolarHBondContact O-N 3.09Å
133S73.8Confident81.9Confident2 Ų253.4 Ų53.41%0.01427%0.268CS..  trans-82.3123.2-174.3-176.80000113.1I129 M135 F138 R139I129-S133 WeakPolarHBondContact O-CB 3.48Å; I129-S133 PolarHBondContact O-N 3.39Å; S133-M135 PolarHBondContact OG-O 3.48Å; S133-F138 VanDerWaalsContact OG-CD1 3.27Å; S133-F138 WeakPolarHBondContact OG-CD1 3.32Å; S133-R139 VanDerWaalsContact O-CZ 3.31Å; S133-R139 PolarHBondContact O-NE 3.47Å; S133-R139 PolarHBondContact O-NH2 3.38Å
134L69.6Low82Confident147 Ų14752.3 Ų52.377%0.7726%0.262SS*.  trans-89.3-28.4172.4-70155.9000113
135M78.3Confident82Confident119 Ų11950 Ų5059%0.58625%0.245SC*.  trans-83.1128.2-172.9-73.4178.5172.500112S133 G137 F138 R139S133-M135 PolarHBondContact OG-O 3.48Å; M135-G137 PolarHBondContact O-N 3.1Å; M135-F138 HydrophobicContact CB-CB 4.32Å; M135-F138 PolarHBondContact O-N 2.96Å; M135-R139 PolarHBondContact O-N 3.14Å; M135-R139 VanDerWaalsContact O-N 3.15Å
136P80.4Confident82.3Confident56 Ų5648.7 Ų48.736%0.36424%0.239SC..Hα-helixtrans-64.7-39.1-175.924.5-33.3000112.8F138 R139 L140P136-F138 PolarHBondContact O-N 3.17Å; P136-R139 PolarHBondContact O-N 3.34Å; P136-L140 WeakPolarHBondContact O-CG 3.43Å; P136-L140 PolarHBondContact O-N 3.11Å
137G81.6Confident82.4Confident15 Ų1548.6 Ų48.616%0.15524%0.239CC..Hα-helixtrans-59.1-44.3177.500000112.7M135 L140 D141M135-G137 PolarHBondContact O-N 3.1Å; G137-L140 WeakPolarHBondContact O-CB 3.5Å; G137-L140 PolarHBondContact O-N 3.26Å; G137-D141 PolarHBondContact O-N 3.4Å
138F80.7Confident82.4Confident40 Ų4041.2 Ų41.218%0.17521%0.211CC..Hα-helixtrans-69.1-35.6178.1-171.6-93.2000112.5R103 M107 I129 S133 M135 P136 D141 T142R103-F138 HydrophobicContact CB-CZ 4.4Å; M107-F138 HydrophobicContact CB-CZ 4.4Å; M107-F138 HydrophobicContact SD-CD2 4.32Å; M107-F138 HydrophobicContact SD-CE2 3.31Å; M107-F138 WeakPolarHBondContact SD-CE2 3.39Å; M107-F138 HydrophobicContact SD-CZ 3.55Å; M107-F138 VanDerWaalsContact SD-CZ 3.55Å; I129-F138 HydrophobicContact CG2-CD1 4.44Å; I129-F138 HydrophobicContact CG2-CE1 3.48Å; I129-F138 VanDerWaalsContact CG2-CE1 3.48Å; I129-F138 HydrophobicContact CG2-CZ 4.14Å; S133-F138 VanDerWaalsContact OG-CD1 3.27Å; S133-F138 WeakPolarHBondContact OG-CD1 3.32Å; M135-F138 HydrophobicContact CB-CB 4.32Å; M135-F138 PolarHBondContact O-N 2.96Å; P136-F138 PolarHBondContact O-N 3.17Å; F138-D141 PolarHBondContact O-N 3.32Å; F138-T142 WeakPolarHBondContact O-CB 3.46Å; F138-T142 PolarHBondContact O-N 3.13Å; F138-T142 PolarHBondContact O-OG1 2.97Å
139R83.8Confident82.4Confident72 Ų7237.4 Ų37.427%0.27219%0.191SC..Hα-helixtrans-62.2-43.4172.4-69.4-177.5-168.4159.83.1111.5L130 S133 M135 P136 T142 I143 L169L130-R139 HydrophobicContact CD2-CB 4.25Å; L130-R139 HydrophobicContact CD2-CG 4.42Å; S133-R139 VanDerWaalsContact O-CZ 3.31Å; S133-R139 PolarHBondContact O-NE 3.47Å; S133-R139 PolarHBondContact O-NH2 3.38Å; M135-R139 PolarHBondContact O-N 3.14Å; M135-R139 VanDerWaalsContact O-N 3.15Å; P136-R139 PolarHBondContact O-N 3.34Å; R139-T142 WeakPolarHBondContact O-CB 3.05Å; R139-T142 PolarHBondContact O-N 2.94Å; R139-I143 VanDerWaalsContact O-CG1 3.31Å; R139-I143 WeakPolarHBondContact O-CG1 3.24Å; R139-I143 PolarHBondContact O-N 3.2Å; R139-L169 HydrophobicContact CB-CD1 4.32Å
140L84.6Confident82.5Confident1 Ų137.2 Ų37.21%0.00519%0.19CC..Hα-helixtrans-61.4-47.1176.8-76.9172.7000111.4P136 G137 T142 I143 F144 A166 L169 I170P136-L140 WeakPolarHBondContact O-CG 3.43Å; P136-L140 PolarHBondContact O-N 3.11Å; G137-L140 WeakPolarHBondContact O-CB 3.5Å; G137-L140 PolarHBondContact O-N 3.26Å; L140-T142 VanDerWaalsContact C-N 3.29Å; L140-T142 PolarHBondContact O-N 2.94Å; L140-I143 PolarHBondContact O-N 3.02Å; L140-I143 VanDerWaalsContact O-N 3.1Å; L140-F144 HydrophobicContact CB-CE2 4.23Å; L140-F144 VanDerWaalsContact O-CD2 3.25Å; L140-F144 WeakPolarHBondContact O-CD2 3.46Å; L140-F144 WeakPolarHBondContact O-CG 3.48Å; L140-F144 PolarHBondContact O-N 3.11Å; L140-A166 HydrophobicContact CD2-CB 4.46Å; L140-L169 HydrophobicContact CD2-CB 3.6Å; L140-L169 HydrophobicContact CD2-CD1 4.29Å; L140-L169 HydrophobicContact CG-CB 4.13Å; L140-I170 HydrophobicContact CD1-CG1 3.92Å; L140-I170 HydrophobicContact CD2-CD1 4.45Å; L140-I170 HydrophobicContact CD2-CG1 3.76Å
141D83.8Confident82.6Confident27 Ų2735.6 Ų35.614%0.14418%0.181CC..Hα-helixtrans-61.4-40.7178.8-61-22000110.9G137 F138 I143 F144 H145 R178G137-D141 PolarHBondContact O-N 3.4Å; F138-D141 PolarHBondContact O-N 3.32Å; D141-I143 PolarHBondContact O-N 3.22Å; D141-F144 PolarHBondContact O-N 3.46Å; D141-H145 PolarHBondContact O-N 3.37Å; D141-H145 VanDerWaalsContact O-N 3.09Å; D141-H145 PolarHBondContact O-ND1 3.28Å; D141-R178 IonicContact OD1-CZ 3.8Å; D141-R178 IonicContact OD1-NE 2.92Å; D141-R178 PolarHBondContact OD1-NE 3.27Å; D141-R178 IonicContact OD1-NH2 3.25Å; D141-R178 IonicContact OD2-CZ 2.62Å; D141-R178 IonicContact OD2-NE 2.81Å; D141-R178 IonicContact OD2-NH2 2.61Å; D141-R178 PolarHBondContact OD2-NH2 3.5Å
142T85.1Confident82.6Confident1 Ų129.3 Ų29.31%0.00615%0.147CC..Hα-helixtrans-60.5-44.5173.8-55.30000111.8F126 I129 L130 F138 R139 L140 F144 H145 I146F126-T142 HydrophobicContact CB-CG2 4.24Å; F126-T142 HydrophobicContact CD1-CG2 3.58Å; F126-T142 HydrophobicContact CE1-CG2 4.35Å; F126-T142 HydrophobicContact CG-CG2 4.3Å; I129-T142 HydrophobicContact CB-CG2 4.48Å; I129-T142 HydrophobicContact CG2-CG2 4.09Å; L130-T142 HydrophobicContact CD2-CG2 3.94Å; L130-T142 HydrophobicContact CG-CG2 3.94Å; F138-T142 WeakPolarHBondContact O-CB 3.46Å; F138-T142 PolarHBondContact O-N 3.13Å; F138-T142 PolarHBondContact O-OG1 2.97Å; R139-T142 WeakPolarHBondContact O-CB 3.05Å; R139-T142 PolarHBondContact O-N 2.94Å; L140-T142 VanDerWaalsContact C-N 3.29Å; L140-T142 PolarHBondContact O-N 2.94Å; T142-F144 PolarHBondContact O-N 3.31Å; T142-H145 WeakPolarHBondContact O-CB 3.42Å; T142-H145 PolarHBondContact O-N 3.39Å; T142-I146 WeakPolarHBondContact O-CG1 3.35Å; T142-I146 PolarHBondContact O-N 3.18Å; T142-I146 VanDerWaalsContact O-N 3.1Å
143I87.6Confident82.6Confident5 Ų526.8 Ų26.83%0.02614%0.137CC..Hα-helixtrans-65.1-39.2177.7-70.3165000111.4L130 R139 L140 D141 H145 I146 I147 N162 K165 A166 L169L130-I143 HydrophobicContact CD2-CD1 4.41Å; L130-I143 HydrophobicContact CD2-CG1 4.06Å; R139-I143 VanDerWaalsContact O-CG1 3.31Å; R139-I143 WeakPolarHBondContact O-CG1 3.24Å; R139-I143 PolarHBondContact O-N 3.2Å; L140-I143 PolarHBondContact O-N 3.02Å; L140-I143 VanDerWaalsContact O-N 3.1Å; D141-I143 PolarHBondContact O-N 3.22Å; I143-H145 VanDerWaalsContact C-N 3.28Å; I143-H145 PolarHBondContact O-N 3.05Å; I143-I146 PolarHBondContact O-N 3.2Å; I143-I146 VanDerWaalsContact O-N 3.14Å; I143-I147 HydrophobicContact CG2-CD1 3.95Å; I143-I147 HydrophobicContact CG2-CG1 4.4Å; I143-I147 WeakPolarHBondContact O-CG1 3.39Å; I143-I147 PolarHBondContact O-N 3.3Å; I143-N162 HydrophobicContact CG2-CB 4.13Å; I143-N162 WeakPolarHBondContact CG2-O 3.21Å; I143-K165 HydrophobicContact CD1-CB 4.38Å; I143-A166 HydrophobicContact CG2-CB 3.97Å; I143-L169 HydrophobicContact CD1-CD1 3.16Å
144F87.1Confident82.8Confident1 Ų128.5 Ų28.50%0.00415%0.154CC..Hα-helixtrans-60.7-37.5174.4-66.4-42000112.1L140 D141 T142 I147 R148 R178 R181 L182 Y185L140-F144 HydrophobicContact CB-CE2 4.23Å; L140-F144 VanDerWaalsContact O-CD2 3.25Å; L140-F144 WeakPolarHBondContact O-CD2 3.46Å; L140-F144 WeakPolarHBondContact O-CG 3.48Å; L140-F144 PolarHBondContact O-N 3.11Å; D141-F144 PolarHBondContact O-N 3.46Å; T142-F144 PolarHBondContact O-N 3.31Å; F144-I147 HydrophobicContact CD1-CD1 4.38Å; F144-I147 PolarHBondContact O-N 3.17Å; F144-R148 WeakPolarHBondContact O-CG 3.48Å; F144-R148 PolarHBondContact O-N 2.93Å; F144-R178 HydrophobicContact CE2-CB 4.17Å; F144-R178 HydrophobicContact CE2-CG 4.3Å; F144-R178 HydrophobicContact CZ-CB 4.45Å; F144-R178 WeakPolarHBondContact CZ-O 3.39Å; F144-R181 HydrophobicContact CZ-CB 4.45Å; F144-L182 HydrophobicContact CE1-CB 3.99Å; F144-L182 HydrophobicContact CE1-CD1 4.04Å; F144-L182 HydrophobicContact CZ-CB 4.21Å; F144-Y185 HydrophobicContact CB-CE2 4.05Å; F144-Y185 AromaticContact CD1-CD2 3.6Å; F144-Y185 HydrophobicContact CD1-CD2 3.6Å; F144-Y185 AromaticContact CD1-CE2 3.39Å; F144-Y185 HydrophobicContact CD1-CE2 3.39Å; F144-Y185 AromaticContact CE1-CD2 3.85Å; F144-Y185 HydrophobicContact CE1-CD2 3.85Å; F144-Y185 AromaticContact CE1-CE2 3.93Å; F144-Y185 HydrophobicContact CE1-CE2 3.93Å; F144-Y185 HydrophobicContact CG-CD2 4.44Å; F144-Y185 AromaticContact CG-CE2 3.78Å; F144-Y185 HydrophobicContact CG-CE2 3.78Å
145H85.6Confident83.5Confident7 Ų723.9 Ų23.93%0.03213%0.13CC..Hα-helixtrans-64-43.2172.6-72.385.6000112.1H111 F126 D141 T142 I143 I147 R148 I149H111-H145 AromaticContact CE1-CD2 3.3Å; H111-H145 PolarHBondContact CE1-CD2 3.1Å; H111-H145 AromaticContact CE1-CE1 3.53Å; H111-H145 AromaticContact CE1-NE2 2.95Å; H111-H145 PolarHBondContact CE1-NE2 3.16Å; H111-H145 AromaticContact ND1-CD2 3.55Å; H111-H145 AromaticContact ND1-NE2 3.58Å; H111-H145 AromaticContact NE2-NE2 3.89Å; F126-H145 HydrophobicContact CE1-CB 4.04Å; F126-H145 HydrophobicContact CZ-CB 3.89Å; D141-H145 PolarHBondContact O-N 3.37Å; D141-H145 VanDerWaalsContact O-N 3.09Å; D141-H145 PolarHBondContact O-ND1 3.28Å; T142-H145 WeakPolarHBondContact O-CB 3.42Å; T142-H145 PolarHBondContact O-N 3.39Å; I143-H145 VanDerWaalsContact C-N 3.28Å; I143-H145 PolarHBondContact O-N 3.05Å; H145-I147 VanDerWaalsContact C-N 3.3Å; H145-I147 PolarHBondContact O-N 3.13Å; H145-R148 PolarHBondContact CD2-NH2 3.44Å; H145-R148 PolarHBondContact CE1-NH2 2.77Å; H145-R148 PolarHBondContact ND1-NH2 3.21Å; H145-R148 PolarHBondContact NE2-NH2 3.41Å; H145-R148 WeakPolarHBondContact O-CB 3.27Å; H145-R148 PolarHBondContact O-N 3.35Å; H145-I149 WeakPolarHBondContact O-CG1 3.2Å; H145-I149 PolarHBondContact O-N 3.38Å
146I87.6Confident83.7Confident7 Ų723 Ų234%0.03612%0.121CC..Hα-helixtrans-62-40.3176-58.2169.3000110.8L123 F126 L130 T142 I143 I149 G150 L158 N162L123-I146 HydrophobicContact CD2-CG2 3.7Å; F126-I146 HydrophobicContact CB-CD1 3.89Å; F126-I146 HydrophobicContact CB-CG1 3.85Å; F126-I146 HydrophobicContact CD2-CG1 4.15Å; F126-I146 HydrophobicContact CG-CG1 4Å; L130-I146 HydrophobicContact CD1-CD1 3.91Å; T142-I146 WeakPolarHBondContact O-CG1 3.35Å; T142-I146 PolarHBondContact O-N 3.18Å; T142-I146 VanDerWaalsContact O-N 3.1Å; I143-I146 PolarHBondContact O-N 3.2Å; I143-I146 VanDerWaalsContact O-N 3.14Å; I146-I149 PolarHBondContact O-N 2.92Å; I146-G150 PolarHBondContact O-N 3.21Å; I146-L158 HydrophobicContact CG2-CD1 4.24Å; I146-L158 HydrophobicContact CG2-CD2 4.31Å; I146-L158 HydrophobicContact CG2-CG 4.34Å; I146-N162 WeakPolarHBondContact CG2-ND2 3.18Å
147I87.3Confident84Confident0 Ų026.2 Ų26.20%013%0.134CC..Hα-helixtrans-62.5-42.7175.6-69168.6000110.6I143 F144 H145 I149 G150 F151 N162 I163 Y185I143-I147 HydrophobicContact CG2-CD1 3.95Å; I143-I147 HydrophobicContact CG2-CG1 4.4Å; I143-I147 WeakPolarHBondContact O-CG1 3.39Å; I143-I147 PolarHBondContact O-N 3.3Å; F144-I147 HydrophobicContact CD1-CD1 4.38Å; F144-I147 PolarHBondContact O-N 3.17Å; H145-I147 VanDerWaalsContact C-N 3.3Å; H145-I147 PolarHBondContact O-N 3.13Å; I147-I149 VanDerWaalsContact C-N 3.34Å; I147-I149 PolarHBondContact O-N 3.21Å; I147-G150 CarbonylContact O-C 3.46Å; I147-G150 WeakPolarHBondContact O-CA 3.43Å; I147-G150 PolarHBondContact O-N 3.44Å; I147-G150 VanDerWaalsContact O-N 3.12Å; I147-F151 HydrophobicContact CG2-CD2 3.66Å; I147-F151 HydrophobicContact CG2-CE2 3.38Å; I147-F151 HydrophobicContact CG2-CZ 4.49Å; I147-F151 VanDerWaalsContact O-CD2 3.25Å; I147-F151 WeakPolarHBondContact O-CD2 3.23Å; I147-F151 PolarHBondContact O-N 2.84Å; I147-N162 HydrophobicContact CD1-CB 4.18Å; I147-N162 HydrophobicContact CG1-CB 3.64Å; I147-I163 HydrophobicContact CD1-CG1 4.09Å; I147-Y185 HydrophobicContact CG2-CD1 3.67Å; I147-Y185 HydrophobicContact CG2-CE1 4.28Å; I147-Y185 HydrophobicContact CG2-CG 4.11Å
148R84.2Confident84.3Confident0 Ų027 Ų270%014%0.135CC..Hα-helixtrans-60.2-42175.1-77-171.2-79.7171.4-18.2112.4E12 I14 F144 H145 G150 F151 F152 Y185 E214 L215E12-R148 PolarHBondContact O-NH1 3.37Å; I14-R148 PolarHBondContact O-NH1 2.64Å; F144-R148 WeakPolarHBondContact O-CG 3.48Å; F144-R148 PolarHBondContact O-N 2.93Å; H145-R148 PolarHBondContact CD2-NH2 3.44Å; H145-R148 PolarHBondContact CE1-NH2 2.77Å; H145-R148 PolarHBondContact ND1-NH2 3.21Å; H145-R148 PolarHBondContact NE2-NH2 3.41Å; H145-R148 WeakPolarHBondContact O-CB 3.27Å; H145-R148 PolarHBondContact O-N 3.35Å; R148-G150 VanDerWaalsContact C-N 3.33Å; R148-F151 PolarHBondContact O-N 3.24Å; R148-F152 PolarHBondContact O-N 2.99Å; R148-Y185 HydrophobicContact CG-CE1 3.85Å; R148-E214 IonicContact CZ-OE2 2.59Å; R148-E214 IonicContact NE-OE2 3.71Å; R148-E214 PolarHBondContact NE-OE2 2.79Å; R148-E214 VanDerWaalsContact NE-OE2 3.12Å; R148-E214 IonicContact NH1-OE2 2.84Å; R148-E214 PolarHBondContact NH1-OE2 3.39Å; R148-E214 IonicContact NH2-OE2 3.01Å; R148-E214 PolarHBondContact NH2-OE2 3.02Å; R148-L215 HydrophobicContact CG-CD2 4.34Å
149I84.5Confident84.6Confident3 Ų325.3 Ų25.32%0.01513%0.128CC..Hα-helixtrans-62.3-43.6173.1-66.6166.2000110.5P15 S114 F126 H145 I146 I147 F151 F152 F153P15-I149 HydrophobicContact CG-CG1 3.99Å; S114-I149 WeakPolarHBondContact OG-CD1 3.32Å; F126-I149 HydrophobicContact CD2-CD1 3.94Å; F126-I149 HydrophobicContact CE2-CD1 3.41Å; F126-I149 VanDerWaalsContact CE2-CD1 3.41Å; F126-I149 HydrophobicContact CZ-CD1 4.36Å; H145-I149 WeakPolarHBondContact O-CG1 3.2Å; H145-I149 PolarHBondContact O-N 3.38Å; I146-I149 PolarHBondContact O-N 2.92Å; I147-I149 VanDerWaalsContact C-N 3.34Å; I147-I149 PolarHBondContact O-N 3.21Å; I149-F151 VanDerWaalsContact C-N 3.3Å; I149-F151 PolarHBondContact O-N 3.49Å; I149-F152 WeakPolarHBondContact O-CB 3.27Å; I149-F152 PolarHBondContact O-N 3.49Å; I149-F153 HydrophobicContact CG2-CD2 3.66Å; I149-F153 HydrophobicContact CG2-CE2 3.71Å; I149-F153 WeakPolarHBondContact O-CD2 3.44Å; I149-F153 PolarHBondContact O-N 3.44Å
150G84.8Confident84.9Confident0 Ų023.7 Ų23.70%013%0.126CC..Hα-helixtrans-56.2-42.9173.900000112.4I146 I147 R148 G154 D155I146-G150 PolarHBondContact O-N 3.21Å; I147-G150 CarbonylContact O-C 3.46Å; I147-G150 WeakPolarHBondContact O-CA 3.43Å; I147-G150 PolarHBondContact O-N 3.44Å; I147-G150 VanDerWaalsContact O-N 3.12Å; R148-G150 VanDerWaalsContact C-N 3.33Å; G150-G154 WeakPolarHBondContact O-CA 3.5Å; G150-G154 PolarHBondContact O-N 2.86Å; G150-D155 PolarHBondContact O-N 3.49Å; G150-D155 VanDerWaalsContact O-N 3.12Å
151F83.6Confident85.1Confident5 Ų529.8 Ų29.82%0.02215%0.152CC..Hα-helixtrans-67.9-35.2174.1-78.5-62.4000113L17 I147 R148 I149 I159 Y185 L188 R288 Y289L17-F151 HydrophobicContact CD2-CB 4.03Å; I147-F151 HydrophobicContact CG2-CD2 3.66Å; I147-F151 HydrophobicContact CG2-CE2 3.38Å; I147-F151 HydrophobicContact CG2-CZ 4.49Å; I147-F151 VanDerWaalsContact O-CD2 3.25Å; I147-F151 WeakPolarHBondContact O-CD2 3.23Å; I147-F151 PolarHBondContact O-N 2.84Å; R148-F151 PolarHBondContact O-N 3.24Å; I149-F151 VanDerWaalsContact C-N 3.3Å; I149-F151 PolarHBondContact O-N 3.49Å; F151-I159 HydrophobicContact CD1-CD1 3.75Å; F151-I159 HydrophobicContact CE1-CD1 3.89Å; F151-I159 HydrophobicContact CE2-CG2 4.37Å; F151-I159 HydrophobicContact CG-CD1 4.13Å; F151-I159 HydrophobicContact CZ-CD1 4.37Å; F151-I159 HydrophobicContact CZ-CG2 4.1Å; F151-Y185 HydrophobicContact CD2-CD1 4.38Å; F151-Y185 AromaticContact CE2-CD1 3.93Å; F151-Y185 HydrophobicContact CE2-CD1 3.93Å; F151-L188 HydrophobicContact CD1-CD2 4.11Å; F151-L188 HydrophobicContact CD1-CG 4.39Å; F151-L188 HydrophobicContact CD2-CD2 4.37Å; F151-L188 HydrophobicContact CE1-CB 4.33Å; F151-L188 HydrophobicContact CE1-CD2 3.88Å; F151-L188 HydrophobicContact CE1-CG 3.79Å; F151-L188 HydrophobicContact CE2-CD2 4.17Å; F151-L188 HydrophobicContact CG-CD2 4.35Å; F151-L188 HydrophobicContact CZ-CB 4.05Å; F151-L188 HydrophobicContact CZ-CD2 3.91Å; F151-L188 HydrophobicContact CZ-CG 3.95Å; F151-R288 PolarHBondContact O-NH1 2.84Å; F151-R288 PolarHBondContact O-NH2 3.44Å; F151-Y289 AromaticContact CD1-CE1 3.91Å; F151-Y289 HydrophobicContact CD1-CE1 3.91Å; F151-Y289 HydrophobicContact CE1-CE1 4.46Å
152F81.8Confident85.4Confident5 Ų529 Ų292%0.02215%0.148CC..Hα-helixtrans-65.9-41.7178.1-174.4-100.5000112.1P15 L17 A20 Y55 R148 I149 R288P15-F152 HydrophobicContact CB-CD2 4.15Å; P15-F152 HydrophobicContact CB-CG 4.31Å; L17-F152 HydrophobicContact CD2-CB 4.14Å; A20-F152 HydrophobicContact CB-CD2 3.69Å; A20-F152 HydrophobicContact CB-CE2 3.77Å; Y55-F152 AromaticContact CD1-CZ 3.96Å; Y55-F152 HydrophobicContact CD1-CZ 3.96Å; Y55-F152 HydrophobicContact CD2-CD1 4.4Å; Y55-F152 AromaticContact CD2-CE1 3.21Å; Y55-F152 HydrophobicContact CD2-CE1 3.21Å; Y55-F152 AromaticContact CD2-CZ 3.41Å; Y55-F152 HydrophobicContact CD2-CZ 3.41Å; Y55-F152 VanDerWaalsContact CD2-CZ 3.41Å; Y55-F152 AromaticContact CE1-CZ 3.77Å; Y55-F152 HydrophobicContact CE1-CZ 3.77Å; Y55-F152 HydrophobicContact CE2-CD1 4.12Å; Y55-F152 AromaticContact CE2-CE1 3.13Å; Y55-F152 HydrophobicContact CE2-CE1 3.13Å; Y55-F152 HydrophobicContact CE2-CE2 4.2Å; Y55-F152 AromaticContact CE2-CZ 3.17Å; Y55-F152 HydrophobicContact CE2-CZ 3.17Å; Y55-F152 AromaticContact CG-CE1 3.96Å; Y55-F152 HydrophobicContact CG-CE1 3.96Å; Y55-F152 AromaticContact CG-CZ 3.77Å; Y55-F152 HydrophobicContact CG-CZ 3.77Å; Y55-F152 AromaticContact CZ-CE1 3.84Å; Y55-F152 AromaticContact CZ-CZ 3.34Å; R148-F152 PolarHBondContact O-N 2.99Å; I149-F152 WeakPolarHBondContact O-CB 3.27Å; I149-F152 PolarHBondContact O-N 3.49Å; F152-R288 VanDerWaalsContact O-CZ 3.23Å; F152-R288 PolarHBondContact O-NH1 2.95Å; F152-R288 PolarHBondContact O-NH2 3.1Å
153F79.6Confident85.6Confident50 Ų5029.5 Ų29.522%0.21915%0.15CC..Hα-helixtrans-87-20.4175.6-68.9-71.7000114.2L58 G117 K119 I149 D155 R288L58-F153 HydrophobicContact CD1-CE1 3.88Å; G117-F153 WeakPolarHBondContact O-CZ 3.2Å; K119-F153 HydrophobicContact CB-CD2 4.08Å; K119-F153 HydrophobicContact CB-CE1 4.26Å; K119-F153 HydrophobicContact CB-CE2 3.56Å; K119-F153 HydrophobicContact CB-CZ 3.68Å; K119-F153 HydrophobicContact CD-CB 4.46Å; K119-F153 HydrophobicContact CD-CD1 4.38Å; K119-F153 HydrophobicContact CD-CD2 3.94Å; K119-F153 HydrophobicContact CD-CE2 4.29Å; K119-F153 HydrophobicContact CD-CG 4Å; K119-F153 HydrophobicContact CG-CD2 3.91Å; K119-F153 HydrophobicContact CG-CE2 3.89Å; K119-F153 HydrophobicContact CG-CG 4.46Å; K119-F153 HydrophobicContact CG-CZ 4.42Å; I149-F153 HydrophobicContact CG2-CD2 3.66Å; I149-F153 HydrophobicContact CG2-CE2 3.71Å; I149-F153 WeakPolarHBondContact O-CD2 3.44Å; I149-F153 PolarHBondContact O-N 3.44Å; F153-D155 VanDerWaalsContact CB-OD2 3.28Å; F153-D155 WeakPolarHBondContact CB-OD2 3.49Å; F153-R288 PolarHBondContact O-NH2 2.81Å
154G77.6Confident85.7Confident37 Ų3735.3 Ų35.338%0.38118%0.178SC..THydrogen-bonded Turntrans83.318-17900000114.1G150 R156 R288G150-G154 WeakPolarHBondContact O-CA 3.5Å; G150-G154 PolarHBondContact O-N 2.86Å; G154-R156 PolarHBondContact O-N 2.94Å; G154-R156 VanDerWaalsContact O-N 3.13Å; G154-R288 VanDerWaalsContact N-NH2 3.15Å
155D83Confident85.8Confident51 Ų5140.9 Ų40.927%0.27320%0.202SC..  trans-7797.1178.8-64-68.3000111.5K119 G150 F153 D157 L158 I159K119-D155 WeakPolarHBondContact CE-OD2 3.25Å; K119-D155 IonicContact NZ-OD1 3.14Å; K119-D155 PolarHBondContact NZ-OD1 3.49Å; K119-D155 IonicContact NZ-OD2 3.94Å; K119-D155 PolarHBondContact NZ-OD2 3.28Å; G150-D155 PolarHBondContact O-N 3.49Å; G150-D155 VanDerWaalsContact O-N 3.12Å; F153-D155 VanDerWaalsContact CB-OD2 3.28Å; F153-D155 WeakPolarHBondContact CB-OD2 3.49Å; D155-D157 VanDerWaalsContact C-N 3.33Å; D155-D157 PolarHBondContact O-N 3.23Å; D155-L158 HydrophobicContact CB-CB 3.96Å; D155-L158 PolarHBondContact O-N 3.17Å; D155-I159 WeakPolarHBondContact O-CD1 3.49Å; D155-I159 WeakPolarHBondContact O-CG1 3.44Å; D155-I159 PolarHBondContact O-N 3.47Å
156R83.2Confident85.9Confident101 Ų10140.5 Ų40.538%0.38120%0.2SC..Hα-helixtrans-60.4-40.6-178.2-62.3178.2-178.4-164.3-10112.7G154 L158 I159 T160 Y189 S192G154-R156 PolarHBondContact O-N 2.94Å; G154-R156 VanDerWaalsContact O-N 3.13Å; R156-L158 VanDerWaalsContact C-N 3.31Å; R156-L158 PolarHBondContact O-N 3.49Å; R156-I159 PolarHBondContact O-N 3.41Å; R156-T160 PolarHBondContact O-N 2.98Å; R156-T160 PolarHBondContact O-OG1 3.34Å; R156-Y189 HydrophobicContact CB-CE2 4.14Å; R156-Y189 HydrophobicContact CG-CE2 4.46Å; R156-S192 PolarHBondContact NH2-O 3.46Å
157D87Confident85.9Confident122 Ų12242.5 Ų42.565%0.65221%0.211SC*.Hα-helixtrans-67.8-30.7-178.3-63.4-33.9000113.4D155 T160 K161D155-D157 VanDerWaalsContact C-N 3.33Å; D155-D157 PolarHBondContact O-N 3.23Å; D157-T160 PolarHBondContact O-OG1 2.84Å; D157-K161 WeakPolarHBondContact O-CG 3.45Å; D157-K161 PolarHBondContact O-N 3.06Å
158L86.9Confident85.9Confident33 Ų3345.6 Ų45.617%0.17323%0.232CC..Hα-helixtrans-72.2-39.3174.9-176.565.2000109.9L123 I146 D155 R156 N162L123-L158 HydrophobicContact CD1-CD2 4.27Å; L123-L158 HydrophobicContact CD2-CD1 4.33Å; L123-L158 HydrophobicContact CD2-CD2 3.98Å; I146-L158 HydrophobicContact CG2-CD1 4.24Å; I146-L158 HydrophobicContact CG2-CD2 4.31Å; I146-L158 HydrophobicContact CG2-CG 4.34Å; D155-L158 HydrophobicContact CB-CB 3.96Å; D155-L158 PolarHBondContact O-N 3.17Å; R156-L158 VanDerWaalsContact C-N 3.31Å; R156-L158 PolarHBondContact O-N 3.49Å; L158-N162 VanDerWaalsContact CD1-ND2 3.33Å; L158-N162 WeakPolarHBondContact CD1-ND2 3.36Å; L158-N162 WeakPolarHBondContact O-CB 3.38Å; L158-N162 PolarHBondContact O-N 3.32Å; L158-N162 PolarHBondContact O-ND2 3.11Å
159I87.7Confident85.9Confident4 Ų446.6 Ų46.62%0.02124%0.238CC..Hα-helixtrans-65.4-47.1179.3-63.9160000110.6F151 D155 R156 K161 N162 I163 Y189F151-I159 HydrophobicContact CD1-CD1 3.75Å; F151-I159 HydrophobicContact CE1-CD1 3.89Å; F151-I159 HydrophobicContact CE2-CG2 4.37Å; F151-I159 HydrophobicContact CG-CD1 4.13Å; F151-I159 HydrophobicContact CZ-CD1 4.37Å; F151-I159 HydrophobicContact CZ-CG2 4.1Å; D155-I159 WeakPolarHBondContact O-CD1 3.49Å; D155-I159 WeakPolarHBondContact O-CG1 3.44Å; D155-I159 PolarHBondContact O-N 3.47Å; R156-I159 PolarHBondContact O-N 3.41Å; I159-K161 PolarHBondContact O-N 3.05Å; I159-N162 PolarHBondContact O-N 3.35Å; I159-I163 HydrophobicContact CG2-CD1 3.45Å; I159-I163 VanDerWaalsContact CG2-CD1 3.45Å; I159-I163 HydrophobicContact CG2-CG1 4.09Å; I159-I163 WeakPolarHBondContact O-CB 3.37Å; I159-I163 VanDerWaalsContact O-CG1 3.28Å; I159-I163 WeakPolarHBondContact O-CG1 3.27Å; I159-I163 PolarHBondContact O-N 3.26Å; I159-Y189 HydrophobicContact CB-CD2 3.93Å; I159-Y189 HydrophobicContact CB-CE2 4.18Å; I159-Y189 HydrophobicContact CD1-CD2 4.32Å; I159-Y189 HydrophobicContact CG2-CD2 3.36Å; I159-Y189 HydrophobicContact CG2-CE2 4.05Å; I159-Y189 HydrophobicContact CG2-CG 3.74Å
160T89.9Confident85.9Confident37 Ų3747.5 Ų47.523%0.22724%0.242CC..Hα-helixtrans-58-52.3-179.848.90000112.6R156 D157 N162 I163 E164 Y189R156-T160 PolarHBondContact O-N 2.98Å; R156-T160 PolarHBondContact O-OG1 3.34Å; D157-T160 PolarHBondContact O-OG1 2.84Å; T160-N162 VanDerWaalsContact C-N 3.25Å; T160-N162 PolarHBondContact O-N 2.92Å; T160-I163 PolarHBondContact O-N 3.45Å; T160-E164 PolarHBondContact O-N 3.45Å; T160-Y189 HydrophobicContact CG2-CE1 3.58Å; T160-Y189 HydrophobicContact CG2-CE2 4.04Å; T160-Y189 WeakPolarHBondContact CG2-OH 3.28Å
161K90.3Very high85.7Confident130 Ų13055.5 Ų55.557%0.56528%0.28SS*.Hα-helixtrans-58.7-38.7-179-70.4175.2-177176.60112.1D157 I159 K165D157-K161 WeakPolarHBondContact O-CG 3.45Å; D157-K161 PolarHBondContact O-N 3.06Å; I159-K161 PolarHBondContact O-N 3.05Å; K161-K165 WeakPolarHBondContact O-CG 3.04Å; K161-K165 PolarHBondContact O-N 3.22Å; K161-K165 VanDerWaalsContact O-N 3.17Å
162N89.3Confident85.6Confident10 Ų1062 Ų625%0.05331%0.31CS..Hα-helixtrans-80.5-31-178.9-69.2-41.1000112.7I143 I146 I147 L158 I159 T160 E164 K165 A166I143-N162 HydrophobicContact CG2-CB 4.13Å; I143-N162 WeakPolarHBondContact CG2-O 3.21Å; I146-N162 WeakPolarHBondContact CG2-ND2 3.18Å; I147-N162 HydrophobicContact CD1-CB 4.18Å; I147-N162 HydrophobicContact CG1-CB 3.64Å; L158-N162 VanDerWaalsContact CD1-ND2 3.33Å; L158-N162 WeakPolarHBondContact CD1-ND2 3.36Å; L158-N162 WeakPolarHBondContact O-CB 3.38Å; L158-N162 PolarHBondContact O-N 3.32Å; L158-N162 PolarHBondContact O-ND2 3.11Å; I159-N162 PolarHBondContact O-N 3.35Å; T160-N162 VanDerWaalsContact C-N 3.25Å; T160-N162 PolarHBondContact O-N 2.92Å; N162-E164 VanDerWaalsContact C-N 3.34Å; N162-K165 PolarHBondContact O-N 3.36Å; N162-A166 WeakPolarHBondContact O-CB 3.47Å; N162-A166 PolarHBondContact O-N 3.47Å
163I89.8Confident85Confident11 Ų1164 Ų646%0.05633%0.332CS..Hα-helixtrans-63.4-42.7170.3-73172.9000110.4I147 I159 T160 A166 N167 Y189I147-I163 HydrophobicContact CD1-CG1 4.09Å; I159-I163 HydrophobicContact CG2-CD1 3.45Å; I159-I163 VanDerWaalsContact CG2-CD1 3.45Å; I159-I163 HydrophobicContact CG2-CG1 4.09Å; I159-I163 WeakPolarHBondContact O-CB 3.37Å; I159-I163 VanDerWaalsContact O-CG1 3.28Å; I159-I163 WeakPolarHBondContact O-CG1 3.27Å; I159-I163 PolarHBondContact O-N 3.26Å; T160-I163 PolarHBondContact O-N 3.45Å; I163-A166 PolarHBondContact O-N 3.46Å; I163-N167 PolarHBondContact O-N 3.08Å; I163-N167 PolarHBondContact O-ND2 3.01Å; I163-Y189 HydrophobicContact CD1-CD1 4.11Å; I163-Y189 HydrophobicContact CD1-CG 3.92Å
164E89.9Confident84.4Confident128 Ų12862.8 Ų62.860%0.59833%0.333SS*.Hα-helixtrans-61.3-48176-73.2174.5-176.200111.6T160 N162 A166 N167 S168T160-E164 PolarHBondContact O-N 3.45Å; N162-E164 VanDerWaalsContact C-N 3.34Å; E164-A166 VanDerWaalsContact C-N 3.32Å; E164-A166 PolarHBondContact O-N 3.41Å; E164-N167 WeakPolarHBondContact O-CB 3.32Å; E164-N167 PolarHBondContact O-N 3.37Å; E164-N167 VanDerWaalsContact O-N 3.16Å; E164-S168 PolarHBondContact O-N 3.39Å; E164-S168 VanDerWaalsContact O-N 3.16Å; E164-S168 PolarHBondContact O-OG 3.39Å
165K87.6Confident84.3Confident117 Ų11765.3 Ų65.351%0.50934%0.338SS..Hα-helixtrans-58.8-41.2174.4-72175.8-179.8-172.80112.9I143 K161 N162 S168 L169I143-K165 HydrophobicContact CD1-CB 4.38Å; K161-K165 WeakPolarHBondContact O-CG 3.04Å; K161-K165 PolarHBondContact O-N 3.22Å; K161-K165 VanDerWaalsContact O-N 3.17Å; N162-K165 PolarHBondContact O-N 3.36Å; K165-S168 PolarHBondContact O-N 2.99Å; K165-L169 WeakPolarHBondContact O-CG 3.35Å; K165-L169 PolarHBondContact O-N 3.12Å; K165-L169 VanDerWaalsContact O-N 3.12Å
166A87.8Confident84.2Confident0 Ų070.4 Ų70.40%035%0.354CS..Hα-helixtrans-64.6-39.5176.900000111.6L140 I143 N162 I163 E164 L169 I170 L182L140-A166 HydrophobicContact CD2-CB 4.46Å; I143-A166 HydrophobicContact CG2-CB 3.97Å; N162-A166 WeakPolarHBondContact O-CB 3.47Å; N162-A166 PolarHBondContact O-N 3.47Å; I163-A166 PolarHBondContact O-N 3.46Å; E164-A166 VanDerWaalsContact C-N 3.32Å; E164-A166 PolarHBondContact O-N 3.41Å; A166-L169 PolarHBondContact O-N 3.4Å; A166-I170 VanDerWaalsContact O-CG1 3.28Å; A166-I170 WeakPolarHBondContact O-CG1 3.16Å; A166-I170 PolarHBondContact O-N 2.67Å; A166-L182 HydrophobicContact CB-CD1 3.68Å; A166-L182 HydrophobicContact CB-CD2 3.95Å; A166-L182 HydrophobicContact CB-CG 4.48Å
167N88.1Confident84.1Confident49 Ų4968 Ų6826%0.26235%0.349SS..Hα-helixtrans-60.2-47.6175.9-73.9-51.7000111.2I163 E164 L169 I170 E171 L182I163-N167 PolarHBondContact O-N 3.08Å; I163-N167 PolarHBondContact O-ND2 3.01Å; E164-N167 WeakPolarHBondContact O-CB 3.32Å; E164-N167 PolarHBondContact O-N 3.37Å; E164-N167 VanDerWaalsContact O-N 3.16Å; N167-L169 PolarHBondContact O-N 3.42Å; N167-I170 PolarHBondContact O-N 3.09Å; N167-E171 PolarHBondContact O-N 3Å; N167-E171 VanDerWaalsContact O-N 3.11Å; N167-L182 VanDerWaalsContact OD1-CD2 3.22Å; N167-L182 WeakPolarHBondContact OD1-CD2 3.47Å
168S87.4Confident83.9Confident64 Ų6464.8 Ų64.845%0.44833%0.327SS..Hα-helixtrans-59.9-43.4178.3-580000112.5E164 K165 I170 E171 E172E164-S168 PolarHBondContact O-N 3.39Å; E164-S168 VanDerWaalsContact O-N 3.16Å; E164-S168 PolarHBondContact O-OG 3.39Å; K165-S168 PolarHBondContact O-N 2.99Å; S168-I170 VanDerWaalsContact C-N 3.33Å; S168-I170 PolarHBondContact O-N 3.23Å; S168-E171 PolarHBondContact O-N 3.36Å; S168-E172 PolarHBondContact O-N 3.11Å
169L84.7Confident83.8Confident22 Ų2270 Ų7012%0.11535%0.345CS..Hα-helixtrans-69.5-29179.1-72.5168.1000113.5R139 L140 I143 K165 A166 N167 E172 G173R139-L169 HydrophobicContact CB-CD1 4.32Å; L140-L169 HydrophobicContact CD2-CB 3.6Å; L140-L169 HydrophobicContact CD2-CD1 4.29Å; L140-L169 HydrophobicContact CG-CB 4.13Å; I143-L169 HydrophobicContact CD1-CD1 3.16Å; K165-L169 WeakPolarHBondContact O-CG 3.35Å; K165-L169 PolarHBondContact O-N 3.12Å; K165-L169 VanDerWaalsContact O-N 3.12Å; A166-L169 PolarHBondContact O-N 3.4Å; N167-L169 PolarHBondContact O-N 3.42Å; L169-E172 PolarHBondContact O-N 3.44Å; L169-G173 PolarHBondContact O-N 3.06Å
170I83.9Confident83.7Confident21 Ų2170 Ų7011%0.10835%0.345CS..Hα-helixtrans-72.4-33.5174.7-71-175.6000111.1L140 A166 N167 S168 E172 G173 G174 R179 L182L140-I170 HydrophobicContact CD1-CG1 3.92Å; L140-I170 HydrophobicContact CD2-CD1 4.45Å; L140-I170 HydrophobicContact CD2-CG1 3.76Å; A166-I170 VanDerWaalsContact O-CG1 3.28Å; A166-I170 WeakPolarHBondContact O-CG1 3.16Å; A166-I170 PolarHBondContact O-N 2.67Å; N167-I170 PolarHBondContact O-N 3.09Å; S168-I170 VanDerWaalsContact C-N 3.33Å; S168-I170 PolarHBondContact O-N 3.23Å; I170-E172 VanDerWaalsContact C-N 3.3Å; I170-G173 PolarHBondContact O-N 3.14Å; I170-G174 PolarHBondContact O-N 3.11Å; I170-R179 HydrophobicContact CG2-CB 4.21Å; I170-R179 HydrophobicContact CG2-CG 4.15Å; I170-L182 HydrophobicContact CD1-CB 3.7Å; I170-L182 HydrophobicContact CD1-CD2 3.39Å; I170-L182 HydrophobicContact CD1-CG 4.15Å; I170-L182 HydrophobicContact CG1-CD2 4.36Å
171E81.7Confident83.5Confident168 Ų16869.4 Ų69.479%0.78534%0.338SS*.Hα-helixtrans-66.3-32.7173.4-70.7178.4177.400112.2N167 S168N167-E171 PolarHBondContact O-N 3Å; N167-E171 VanDerWaalsContact O-N 3.11Å; S168-E171 PolarHBondContact O-N 3.36Å
172E79.6Confident83.5Confident142 Ų14263.4 Ų63.466%0.66431%0.313SS*.Hα-helixtrans-71.6-25.5177.9-71.8177-176.400114S168 L169 I170S168-E172 PolarHBondContact O-N 3.11Å; L169-E172 PolarHBondContact O-N 3.44Å; I170-E172 VanDerWaalsContact C-N 3.3Å
173G70.3Confident83.5Confident46 Ų4665 Ų6547%0.47432%0.319SS..Hα-helixtrans164.244.8-178.300000115L169 I170L169-G173 PolarHBondContact O-N 3.06Å; I170-G173 PolarHBondContact O-N 3.14Å
174G67.3Low83.5Confident25 Ų2564.6 Ų64.626%0.25832%0.317SS..  trans-81127.7-17800000113.8I170I170-G174 PolarHBondContact O-N 3.11Å
175D75.3Confident83.5Confident91 Ų9158.5 Ų58.549%0.48729%0.288SS..  trans-57.3146.7166.6-62.5-58.3000111.6D177 R178 R179D175-D177 VanDerWaalsContact C-N 3.29Å; D175-D177 PolarHBondContact O-N 3.34Å; D175-R178 HydrophobicContact CB-CG 4.49Å; D175-R178 PolarHBondContact O-N 3.38Å; D175-R178 VanDerWaalsContact O-N 3.16Å; D175-R178 IonicContact OD2-CZ 3.12Å; D175-R178 IonicContact OD2-NH1 3.31Å; D175-R178 PolarHBondContact OD2-NH1 3.41Å; D175-R179 PolarHBondContact O-N 2.91Å
176W80.6Confident83.6Confident158 Ų15858 Ų5860%0.59828%0.283SS*.Hα-helixtrans-58.5-38.5-177.7-171.989000112.9R179 N180 T209W176-R179 WeakPolarHBondContact O-CB 3.4Å; W176-R179 PolarHBondContact O-N 3.35Å; W176-N180 WeakPolarHBondContact CH2-ND2 3.5Å; W176-N180 WeakPolarHBondContact CZ2-ND2 3.37Å; W176-N180 WeakPolarHBondContact CZ3-ND2 3.33Å; W176-N180 PolarHBondContact O-N 2.85Å; W176-N180 PolarHBondContact O-ND2 3.31Å; W176-T209 HydrophobicContact CH2-CG2 3.25Å; W176-T209 WeakPolarHBondContact CH2-OG1 3.44Å; W176-T209 HydrophobicContact CZ2-CG2 4.49Å; W176-T209 HydrophobicContact CZ3-CG2 3.54Å
177D81.9Confident83.7Confident50 Ų5058 Ų5827%0.26728%0.283SS..Hα-helixtrans-62.8-46.9176-175.661.4000112D175 R179 N180 R181 T211D175-D177 VanDerWaalsContact C-N 3.29Å; D175-D177 PolarHBondContact O-N 3.34Å; D177-R179 VanDerWaalsContact C-N 3.27Å; D177-R179 PolarHBondContact O-N 3.28Å; D177-N180 WeakPolarHBondContact O-CB 3.43Å; D177-N180 PolarHBondContact O-N 2.99Å; D177-R181 WeakPolarHBondContact O-CG 3.14Å; D177-R181 PolarHBondContact O-N 2.82Å; D177-R181 VanDerWaalsContact O-N 3.07Å; D177-R181 IonicContact OD2-CZ 2.88Å; D177-R181 VanDerWaalsContact OD2-CZ 3.25Å; D177-R181 IonicContact OD2-NE 2.8Å; D177-R181 PolarHBondContact OD2-NE 3.22Å; D177-R181 IonicContact OD2-NH2 3.02Å; D177-R181 PolarHBondContact OD2-NH2 3.46Å; D177-T211 WeakPolarHBondContact OD1-CG2 3.28Å; D177-T211 PolarHBondContact OD1-OG1 2.9Å
178R81.9Confident83.8Confident55 Ų5555.8 Ų55.821%0.20827%0.271CS..Hα-helixtrans-62.4-34.5177.9-70-177.8169.7108.80.6112.1D141 F144 D175 N180 R181 L182D141-R178 IonicContact OD1-CZ 3.8Å; D141-R178 IonicContact OD1-NE 2.92Å; D141-R178 PolarHBondContact OD1-NE 3.27Å; D141-R178 IonicContact OD1-NH2 3.25Å; D141-R178 IonicContact OD2-CZ 2.62Å; D141-R178 IonicContact OD2-NE 2.81Å; D141-R178 IonicContact OD2-NH2 2.61Å; D141-R178 PolarHBondContact OD2-NH2 3.5Å; F144-R178 HydrophobicContact CE2-CB 4.17Å; F144-R178 HydrophobicContact CE2-CG 4.3Å; F144-R178 HydrophobicContact CZ-CB 4.45Å; F144-R178 WeakPolarHBondContact CZ-O 3.39Å; D175-R178 HydrophobicContact CB-CG 4.49Å; D175-R178 PolarHBondContact O-N 3.38Å; D175-R178 VanDerWaalsContact O-N 3.16Å; D175-R178 IonicContact OD2-CZ 3.12Å; D175-R178 IonicContact OD2-NH1 3.31Å; D175-R178 PolarHBondContact OD2-NH1 3.41Å; R178-N180 VanDerWaalsContact C-N 3.34Å; R178-R181 PolarHBondContact O-N 3.42Å; R178-L182 PolarHBondContact O-N 2.9Å
179R85.4Confident83.9Confident141 Ų14154.6 Ų54.653%0.53226%0.257SS..Hα-helixtrans-62.2-40.8173.2-171.9175.9-177.5-1781.4112.1I170 D175 W176 D177 L182 K183I170-R179 HydrophobicContact CG2-CB 4.21Å; I170-R179 HydrophobicContact CG2-CG 4.15Å; D175-R179 PolarHBondContact O-N 2.91Å; W176-R179 WeakPolarHBondContact O-CB 3.4Å; W176-R179 PolarHBondContact O-N 3.35Å; D177-R179 VanDerWaalsContact C-N 3.27Å; D177-R179 PolarHBondContact O-N 3.28Å; R179-L182 PolarHBondContact O-N 3.42Å; R179-K183 PolarHBondContact O-N 3.4Å; R179-K183 VanDerWaalsContact O-N 3.08Å
180N86.2Confident84.2Confident4 Ų454 Ų542%0.02126%0.255CS..Hα-helixtrans-68.2-40.5177.3-66.2-26.2000112W176 D177 R178 L182 K183 V184 T209W176-N180 WeakPolarHBondContact CH2-ND2 3.5Å; W176-N180 WeakPolarHBondContact CZ2-ND2 3.37Å; W176-N180 WeakPolarHBondContact CZ3-ND2 3.33Å; W176-N180 PolarHBondContact O-N 2.85Å; W176-N180 PolarHBondContact O-ND2 3.31Å; D177-N180 WeakPolarHBondContact O-CB 3.43Å; D177-N180 PolarHBondContact O-N 2.99Å; R178-N180 VanDerWaalsContact C-N 3.34Å; N180-L182 VanDerWaalsContact C-N 3.31Å; N180-L182 PolarHBondContact O-N 2.9Å; N180-K183 WeakPolarHBondContact O-CB 3.18Å; N180-K183 PolarHBondContact O-N 2.81Å; N180-K183 VanDerWaalsContact O-N 3.11Å; N180-V184 PolarHBondContact O-N 3.24Å; N180-V184 VanDerWaalsContact O-N 3.11Å; N180-T209 PolarHBondContact ND2-OG1 3.04Å
181R85.1Confident84.4Confident25 Ų2553.1 Ų53.19%0.09425%0.251CS..Hα-helixtrans-58.7-44.5173-58.2-173-167.7-158.52.5111.5L11 F144 D177 R178 K183 V184 Y185 T211 S212 E214L11-R181 VanDerWaalsContact CG-NH1 3.33Å; F144-R181 HydrophobicContact CZ-CB 4.45Å; D177-R181 WeakPolarHBondContact O-CG 3.14Å; D177-R181 PolarHBondContact O-N 2.82Å; D177-R181 VanDerWaalsContact O-N 3.07Å; D177-R181 IonicContact OD2-CZ 2.88Å; D177-R181 VanDerWaalsContact OD2-CZ 3.25Å; D177-R181 IonicContact OD2-NE 2.8Å; D177-R181 PolarHBondContact OD2-NE 3.22Å; D177-R181 IonicContact OD2-NH2 3.02Å; D177-R181 PolarHBondContact OD2-NH2 3.46Å; R178-R181 PolarHBondContact O-N 3.42Å; R181-K183 VanDerWaalsContact C-N 3.3Å; R181-K183 PolarHBondContact O-N 3.31Å; R181-V184 WeakPolarHBondContact O-CB 3.48Å; R181-V184 PolarHBondContact O-N 2.87Å; R181-Y185 HydrophobicContact CB-CD2 4.49Å; R181-Y185 HydrophobicContact CB-CE2 4.11Å; R181-Y185 WeakPolarHBondContact O-CD2 3.25Å; R181-Y185 PolarHBondContact O-N 3.26Å; R181-T211 PolarHBondContact NE-OG1 3.47Å; R181-S212 WeakPolarHBondContact CG-OG 3.28Å; R181-E214 IonicContact NH1-OE1 3.66Å; R181-E214 PolarHBondContact NH1-OE1 2.86Å
182L88.9Confident84.6Confident5 Ų545.7 Ų45.73%0.02622%0.217CC..Hα-helixtrans-59.8-39175.8-175.161.6000112.3F144 A166 N167 I170 R178 R179 N180 V184 Y185 R186F144-L182 HydrophobicContact CE1-CB 3.99Å; F144-L182 HydrophobicContact CE1-CD1 4.04Å; F144-L182 HydrophobicContact CZ-CB 4.21Å; A166-L182 HydrophobicContact CB-CD1 3.68Å; A166-L182 HydrophobicContact CB-CD2 3.95Å; A166-L182 HydrophobicContact CB-CG 4.48Å; N167-L182 VanDerWaalsContact OD1-CD2 3.22Å; N167-L182 WeakPolarHBondContact OD1-CD2 3.47Å; I170-L182 HydrophobicContact CD1-CB 3.7Å; I170-L182 HydrophobicContact CD1-CD2 3.39Å; I170-L182 HydrophobicContact CD1-CG 4.15Å; I170-L182 HydrophobicContact CG1-CD2 4.36Å; R178-L182 PolarHBondContact O-N 2.9Å; R179-L182 PolarHBondContact O-N 3.42Å; N180-L182 VanDerWaalsContact C-N 3.31Å; N180-L182 PolarHBondContact O-N 2.9Å; L182-V184 VanDerWaalsContact C-N 3.31Å; L182-V184 PolarHBondContact O-N 3.37Å; L182-Y185 PolarHBondContact O-N 3.4Å; L182-R186 VanDerWaalsContact O-CB 3.27Å; L182-R186 WeakPolarHBondContact O-CB 3.44Å; L182-R186 PolarHBondContact O-N 3.38Å
183K89.6Confident84.9Confident44 Ų4442.2 Ų42.219%0.19121%0.205CC..Hα-helixtrans-58.9-42.7173.5-69.5-176.6-178.3-1720111.5R179 N180 R181 R186 G187 N202 D205 A206R179-K183 PolarHBondContact O-N 3.4Å; R179-K183 VanDerWaalsContact O-N 3.08Å; N180-K183 WeakPolarHBondContact O-CB 3.18Å; N180-K183 PolarHBondContact O-N 2.81Å; N180-K183 VanDerWaalsContact O-N 3.11Å; R181-K183 VanDerWaalsContact C-N 3.3Å; R181-K183 PolarHBondContact O-N 3.31Å; K183-R186 PolarHBondContact O-N 3.02Å; K183-G187 PolarHBondContact O-N 3.21Å; K183-N202 HydrophobicContact CB-CB 4.39Å; K183-N202 WeakPolarHBondContact O-CB 3.28Å; K183-D205 HydrophobicContact CD-CB 3.96Å; K183-D205 IonicContact NZ-OD2 3.78Å; K183-D205 PolarHBondContact NZ-OD2 2.94Å; K183-A206 HydrophobicContact CB-CB 4.49Å
184V90.3Very high85.7Confident1 Ų146 Ų461%0.00621%0.205CC..Hα-helixtrans-63.7-47.5176.9-179.40000111.4N180 R181 L182 R186 G187 L188 A206 F210 L215 M216 F221N180-V184 PolarHBondContact O-N 3.24Å; N180-V184 VanDerWaalsContact O-N 3.11Å; R181-V184 WeakPolarHBondContact O-CB 3.48Å; R181-V184 PolarHBondContact O-N 2.87Å; L182-V184 VanDerWaalsContact C-N 3.31Å; L182-V184 PolarHBondContact O-N 3.37Å; V184-R186 VanDerWaalsContact C-N 3.32Å; V184-R186 PolarHBondContact O-N 3.12Å; V184-G187 PolarHBondContact O-N 2.88Å; V184-L188 WeakPolarHBondContact O-CB 3.44Å; V184-L188 PolarHBondContact O-N 2.89Å; V184-A206 HydrophobicContact CG2-CB 3.68Å; V184-F210 HydrophobicContact CG1-CE2 4.18Å; V184-F210 HydrophobicContact CG2-CD2 4.19Å; V184-F210 HydrophobicContact CG2-CE2 4.31Å; V184-L215 HydrophobicContact CB-CD1 4.42Å; V184-L215 HydrophobicContact CG1-CD1 3.62Å; V184-M216 HydrophobicContact CG1-CE 4.27Å; V184-F221 HydrophobicContact CG1-CD2 4.22Å; V184-F221 HydrophobicContact CG1-CE2 3.92Å; V184-F221 HydrophobicContact CG2-CE2 3.97Å; V184-F221 HydrophobicContact CG2-CZ 4.34Å
185Y89.7Confident86.8Confident0 Ų048.2 Ų48.20%021%0.211CC..Hα-helixtrans-59.8-43.3176.2-69.4-69.6000111.8F144 I147 R148 F151 R181 L182 L188 Y189 E214 L215F144-Y185 HydrophobicContact CB-CE2 4.05Å; F144-Y185 AromaticContact CD1-CD2 3.6Å; F144-Y185 HydrophobicContact CD1-CD2 3.6Å; F144-Y185 AromaticContact CD1-CE2 3.39Å; F144-Y185 HydrophobicContact CD1-CE2 3.39Å; F144-Y185 AromaticContact CE1-CD2 3.85Å; F144-Y185 HydrophobicContact CE1-CD2 3.85Å; F144-Y185 AromaticContact CE1-CE2 3.93Å; F144-Y185 HydrophobicContact CE1-CE2 3.93Å; F144-Y185 HydrophobicContact CG-CD2 4.44Å; F144-Y185 AromaticContact CG-CE2 3.78Å; F144-Y185 HydrophobicContact CG-CE2 3.78Å; I147-Y185 HydrophobicContact CG2-CD1 3.67Å; I147-Y185 HydrophobicContact CG2-CE1 4.28Å; I147-Y185 HydrophobicContact CG2-CG 4.11Å; R148-Y185 HydrophobicContact CG-CE1 3.85Å; F151-Y185 HydrophobicContact CD2-CD1 4.38Å; F151-Y185 AromaticContact CE2-CD1 3.93Å; F151-Y185 HydrophobicContact CE2-CD1 3.93Å; R181-Y185 HydrophobicContact CB-CD2 4.49Å; R181-Y185 HydrophobicContact CB-CE2 4.11Å; R181-Y185 WeakPolarHBondContact O-CD2 3.25Å; R181-Y185 PolarHBondContact O-N 3.26Å; L182-Y185 PolarHBondContact O-N 3.4Å; Y185-L188 PolarHBondContact O-N 3.12Å; Y185-Y189 WeakPolarHBondContact O-CB 3.36Å; Y185-Y189 PolarHBondContact O-N 2.53Å; Y185-E214 PolarHBondContact OH-OE2 2.99Å; Y185-L215 HydrophobicContact CD1-CD1 3.55Å; Y185-L215 HydrophobicContact CD1-CD2 3.82Å; Y185-L215 HydrophobicContact CD1-CG 4.07Å; Y185-L215 HydrophobicContact CE1-CD1 3.52Å; Y185-L215 HydrophobicContact CE1-CD2 3.43Å; Y185-L215 VanDerWaalsContact CE1-CD2 3.43Å; Y185-L215 HydrophobicContact CE1-CG 3.59Å; Y185-L215 HydrophobicContact CG-CD1 4.17Å
186R89.8Confident87.4Confident108 Ų10844.2 Ų44.241%0.40819%0.19SC..Hα-helixtrans-64.5-44.1177.3-173.7179178.5165.4-0.3111.4L182 K183 V184 L188 Y189 S190L182-R186 VanDerWaalsContact O-CB 3.27Å; L182-R186 WeakPolarHBondContact O-CB 3.44Å; L182-R186 PolarHBondContact O-N 3.38Å; K183-R186 PolarHBondContact O-N 3.02Å; V184-R186 VanDerWaalsContact C-N 3.32Å; V184-R186 PolarHBondContact O-N 3.12Å; R186-L188 PolarHBondContact O-N 2.79Å; R186-Y189 PolarHBondContact O-N 3.42Å; R186-S190 WeakPolarHBondContact O-CB 3.13Å; R186-S190 PolarHBondContact O-N 2.76Å; R186-S190 PolarHBondContact O-OG 3.23Å
187G90.7Very high88Confident0 Ų041.2 Ų41.20%019%0.185CC..Hα-helixtrans-60.2-44.4176.200000112.1K183 V184 Y189 S190 M191 F203K183-G187 PolarHBondContact O-N 3.21Å; V184-G187 PolarHBondContact O-N 2.88Å; G187-Y189 PolarHBondContact O-N 2.89Å; G187-S190 PolarHBondContact O-N 2.98Å; G187-M191 WeakPolarHBondContact O-CB 3.28Å; G187-M191 PolarHBondContact O-N 3.06Å; G187-F203 WeakPolarHBondContact O-CZ 3.48Å
188L89.7Confident88.4Confident1 Ų139.9 Ų39.91%0.00518%0.181CC..Hα-helixtrans-63.1-42.4176.9-174.961.4000111.8F151 V184 Y185 R186 M191 S192 F203 L215 M216 Y289F151-L188 HydrophobicContact CD1-CD2 4.11Å; F151-L188 HydrophobicContact CD1-CG 4.39Å; F151-L188 HydrophobicContact CD2-CD2 4.37Å; F151-L188 HydrophobicContact CE1-CB 4.33Å; F151-L188 HydrophobicContact CE1-CD2 3.88Å; F151-L188 HydrophobicContact CE1-CG 3.79Å; F151-L188 HydrophobicContact CE2-CD2 4.17Å; F151-L188 HydrophobicContact CG-CD2 4.35Å; F151-L188 HydrophobicContact CZ-CB 4.05Å; F151-L188 HydrophobicContact CZ-CD2 3.91Å; F151-L188 HydrophobicContact CZ-CG 3.95Å; V184-L188 WeakPolarHBondContact O-CB 3.44Å; V184-L188 PolarHBondContact O-N 2.89Å; Y185-L188 PolarHBondContact O-N 3.12Å; R186-L188 PolarHBondContact O-N 2.79Å; L188-M191 HydrophobicContact CD1-CE 3.78Å; L188-M191 PolarHBondContact O-N 2.84Å; L188-S192 PolarHBondContact O-N 2.96Å; L188-F203 HydrophobicContact CB-CZ 4.5Å; L188-F203 VanDerWaalsContact N-CZ 3.35Å; L188-L215 HydrophobicContact CD2-CD2 4.12Å; L188-M216 HydrophobicContact CD1-CE 4.1Å; L188-M216 HydrophobicContact CD2-CE 4.07Å; L188-M216 HydrophobicContact CG-CE 4.5Å; L188-Y289 HydrophobicContact CD1-CD1 4.21Å; L188-Y289 HydrophobicContact CD1-CD2 3.87Å; L188-Y289 HydrophobicContact CD1-CE1 4.24Å; L188-Y289 HydrophobicContact CD1-CE2 3.9Å; L188-Y289 HydrophobicContact CD1-CG 4.03Å; L188-Y289 HydrophobicContact CD2-CE1 4.35Å; L188-Y289 HydrophobicContact CD2-CE2 4.48Å; L188-Y289 HydrophobicContact CG-CE1 4.32Å
189Y90.3Very high88.8Confident39 Ų3937.3 Ų37.315%0.15317%0.172CC..Hα-helixtrans-64.8-47.4174.6179.3-104.9000112.1R156 I159 T160 I163 Y185 R186 G187 M191 S192 V193R156-Y189 HydrophobicContact CB-CE2 4.14Å; R156-Y189 HydrophobicContact CG-CE2 4.46Å; I159-Y189 HydrophobicContact CB-CD2 3.93Å; I159-Y189 HydrophobicContact CB-CE2 4.18Å; I159-Y189 HydrophobicContact CD1-CD2 4.32Å; I159-Y189 HydrophobicContact CG2-CD2 3.36Å; I159-Y189 HydrophobicContact CG2-CE2 4.05Å; I159-Y189 HydrophobicContact CG2-CG 3.74Å; T160-Y189 HydrophobicContact CG2-CE1 3.58Å; T160-Y189 HydrophobicContact CG2-CE2 4.04Å; T160-Y189 WeakPolarHBondContact CG2-OH 3.28Å; I163-Y189 HydrophobicContact CD1-CD1 4.11Å; I163-Y189 HydrophobicContact CD1-CG 3.92Å; Y185-Y189 WeakPolarHBondContact O-CB 3.36Å; Y185-Y189 PolarHBondContact O-N 2.53Å; R186-Y189 PolarHBondContact O-N 3.42Å; G187-Y189 PolarHBondContact O-N 2.89Å; Y189-M191 VanDerWaalsContact C-N 3.26Å; Y189-M191 PolarHBondContact O-N 3Å; Y189-S192 WeakPolarHBondContact O-CA 3.35Å; Y189-S192 WeakPolarHBondContact O-CB 3.02Å; Y189-S192 PolarHBondContact O-N 3.29Å; Y189-S192 PolarHBondContact O-OG 3.43Å; Y189-V193 HydrophobicContact CD1-CG2 4.43Å; Y189-V193 HydrophobicContact CD2-CG2 4.47Å; Y189-V193 HydrophobicContact CE1-CG2 3.79Å; Y189-V193 HydrophobicContact CE2-CG2 3.85Å; Y189-V193 VanDerWaalsContact CZ-CG2 3.44Å; Y189-V193 PolarHBondContact O-N 3.45Å; Y189-V193 WeakPolarHBondContact OH-CG2 3.04Å
190S89.3Confident89.1Confident11 Ų1130.6 Ų30.68%0.07715%0.146CC..Hα-helixtrans-57.2-39.8177.4-730000112.1R186 G187 S192 V193 R194 D195R186-S190 WeakPolarHBondContact O-CB 3.13Å; R186-S190 PolarHBondContact O-N 2.76Å; R186-S190 PolarHBondContact O-OG 3.23Å; G187-S190 PolarHBondContact O-N 2.98Å; S190-S192 VanDerWaalsContact C-N 3.28Å; S190-S192 PolarHBondContact O-N 3.41Å; S190-V193 PolarHBondContact O-N 3.48Å; S190-V193 VanDerWaalsContact O-N 3.14Å; S190-R194 PolarHBondContact O-N 2.77Å; S190-D195 WeakPolarHBondContact CB-O 3.34Å; S190-D195 PolarHBondContact O-N 2.81Å
191M88.3Confident89.4Confident2 Ų236.9 Ų36.91%0.0117%0.173CC..Hα-helixtrans-60.8-36.4173.6-171.1172.972.900112.3G187 L188 Y189 V193 R194 F196 A199 F203 Y224 Y289 L290G187-M191 WeakPolarHBondContact O-CB 3.28Å; G187-M191 PolarHBondContact O-N 3.06Å; L188-M191 HydrophobicContact CD1-CE 3.78Å; L188-M191 PolarHBondContact O-N 2.84Å; Y189-M191 VanDerWaalsContact C-N 3.26Å; Y189-M191 PolarHBondContact O-N 3Å; M191-V193 VanDerWaalsContact C-N 3.3Å; M191-V193 PolarHBondContact O-N 3.45Å; M191-R194 PolarHBondContact O-N 3.2Å; M191-F196 HydrophobicContact CG-CE1 4.15Å; M191-A199 HydrophobicContact CB-CB 4.36Å; M191-F203 HydrophobicContact SD-CE2 4.36Å; M191-Y224 HydrophobicContact CE-CD1 3.99Å; M191-Y224 HydrophobicContact CE-CD2 4.14Å; M191-Y224 HydrophobicContact CE-CE1 4.21Å; M191-Y224 HydrophobicContact CE-CE2 4.35Å; M191-Y224 HydrophobicContact CE-CG 3.95Å; M191-Y224 HydrophobicContact SD-CD1 4.14Å; M191-Y224 HydrophobicContact SD-CG 4.14Å; M191-Y289 HydrophobicContact CE-CD2 4.48Å; M191-Y289 HydrophobicContact CE-CG 4.36Å; M191-L290 HydrophobicContact CE-CD1 4.41Å; M191-L290 HydrophobicContact CE-CG 4.24Å; M191-L290 HydrophobicContact CG-CD2 3.68Å; M191-L290 HydrophobicContact CG-CG 4.4Å; M191-L290 HydrophobicContact SD-CD1 4.16Å; M191-L290 HydrophobicContact SD-CD2 3.9Å; M191-L290 HydrophobicContact SD-CG 4.15Å
192S86.4Confident89.7Confident12 Ų1236.8 Ų36.88%0.08418%0.175CC..Hα-helixtrans-73.8-15.2177.581.40000114.8R156 L188 Y189 S190 H293R156-S192 PolarHBondContact NH2-O 3.46Å; L188-S192 PolarHBondContact O-N 2.96Å; Y189-S192 WeakPolarHBondContact O-CA 3.35Å; Y189-S192 WeakPolarHBondContact O-CB 3.02Å; Y189-S192 PolarHBondContact O-N 3.29Å; Y189-S192 PolarHBondContact O-OG 3.43Å; S190-S192 VanDerWaalsContact C-N 3.28Å; S190-S192 PolarHBondContact O-N 3.41Å; S192-H293 PolarHBondContact O-NE2 3.07Å
193V86.1Confident89.7Confident68 Ų6836.5 Ų36.541%0.41217%0.174SC..THydrogen-bonded Turntrans-106.55.7-180-176.10000111.9Y189 S190 M191 D195Y189-V193 HydrophobicContact CD1-CG2 4.43Å; Y189-V193 HydrophobicContact CD2-CG2 4.47Å; Y189-V193 HydrophobicContact CE1-CG2 3.79Å; Y189-V193 HydrophobicContact CE2-CG2 3.85Å; Y189-V193 VanDerWaalsContact CZ-CG2 3.44Å; Y189-V193 PolarHBondContact O-N 3.45Å; Y189-V193 WeakPolarHBondContact OH-CG2 3.04Å; S190-V193 PolarHBondContact O-N 3.48Å; S190-V193 VanDerWaalsContact O-N 3.14Å; M191-V193 VanDerWaalsContact C-N 3.3Å; M191-V193 PolarHBondContact O-N 3.45Å; V193-D195 VanDerWaalsContact C-N 3.3Å
194R86.7Confident89.7Confident126 Ų12635.8 Ų35.848%0.47517%0.171SC..THydrogen-bonded Turntrans71.610.9-175.6-51.7176.8173.6166.4-0.5115.6S190 M191 F196 H293S190-R194 PolarHBondContact O-N 2.77Å; M191-R194 PolarHBondContact O-N 3.2Å; R194-F196 VanDerWaalsContact C-N 3.33Å; R194-F196 HydrophobicContact CB-CE2 4.39Å; R194-F196 WeakPolarHBondContact O-CD2 3.38Å; R194-F196 PolarHBondContact O-N 3.25Å; R194-F196 VanDerWaalsContact O-N 3.1Å; R194-H293 HydrophobicContact CG-CB 4.46Å; R194-H293 PolarHBondContact NE-CE1 3.29Å; R194-H293 PolarHBondContact NE-ND1 3.36Å
195D89.7Confident89.6Confident72 Ų7240.2 Ų40.239%0.38520%0.195SC..  trans-85.978.7174.8-172-4000109.9S190 V193 D197 A198 A199S190-D195 WeakPolarHBondContact CB-O 3.34Å; S190-D195 PolarHBondContact O-N 2.81Å; V193-D195 VanDerWaalsContact C-N 3.3Å; D195-D197 VanDerWaalsContact C-N 3.29Å; D195-D197 PolarHBondContact OD1-N 2.83Å; D195-A198 PolarHBondContact OD1-N 3.31Å; D195-A198 VanDerWaalsContact OD1-N 3.09Å; D195-A198 VanDerWaalsContact OD2-CB 3.28Å; D195-A198 WeakPolarHBondContact OD2-CB 3.46Å; D195-A199 WeakPolarHBondContact O-CB 3.17Å; D195-A199 PolarHBondContact O-N 2.82Å; D195-A199 VanDerWaalsContact O-N 3.13Å
196F89.8Confident89.5Confident7 Ų740.2 Ų40.23%0.03120%0.195CC..Hα-helixtrans-70-26.9-180-65.5-74.6000112.5M191 R194 A199 A200 I231 L290 Y296 Y297M191-F196 HydrophobicContact CG-CE1 4.15Å; R194-F196 VanDerWaalsContact C-N 3.33Å; R194-F196 HydrophobicContact CB-CE2 4.39Å; R194-F196 WeakPolarHBondContact O-CD2 3.38Å; R194-F196 PolarHBondContact O-N 3.25Å; R194-F196 VanDerWaalsContact O-N 3.1Å; F196-A199 PolarHBondContact O-N 3.04Å; F196-A200 VanDerWaalsContact O-CB 3.27Å; F196-A200 WeakPolarHBondContact O-CB 3.42Å; F196-A200 PolarHBondContact O-N 3.24Å; F196-I231 HydrophobicContact CB-CB 4.36Å; F196-I231 HydrophobicContact CB-CG2 4.05Å; F196-I231 HydrophobicContact CD2-CD1 4.34Å; F196-I231 HydrophobicContact CD2-CG2 4.28Å; F196-I231 HydrophobicContact CE2-CD1 4.43Å; F196-I231 HydrophobicContact CG-CG2 4.31Å; F196-L290 HydrophobicContact CE1-CD2 4.13Å; F196-L290 HydrophobicContact CZ-CD2 4.4Å; F196-Y296 AromaticContact CD2-CE1 3.95Å; F196-Y296 HydrophobicContact CD2-CE1 3.95Å; F196-Y296 AromaticContact CE2-CD1 3.78Å; F196-Y296 HydrophobicContact CE2-CD1 3.78Å; F196-Y296 AromaticContact CE2-CE1 3.6Å; F196-Y296 HydrophobicContact CE2-CE1 3.6Å; F196-Y297 HydrophobicContact CE1-CD2 4.29Å; F196-Y297 HydrophobicContact CZ-CD2 4.21Å
197D91.3Very high89.3Confident94 Ų9435.3 Ų35.350%0.50318%0.177SC..Hα-helixtrans-66.3-48.6179.1-68.5-44000111.6D195 K201 A232D195-D197 VanDerWaalsContact C-N 3.29Å; D195-D197 PolarHBondContact OD1-N 2.83Å; D197-K201 WeakPolarHBondContact O-CG 3.34Å; D197-K201 PolarHBondContact O-N 2.87Å; D197-A232 WeakPolarHBondContact OD1-CA 3.31Å; D197-A232 WeakPolarHBondContact OD1-CB 3.1Å
198A91.2Very high88.8Confident23 Ų2338.2 Ų38.219%0.1920%0.201CC..Hα-helixtrans-67.7-38.3174.200000111.6D195 N202D195-A198 PolarHBondContact OD1-N 3.31Å; D195-A198 VanDerWaalsContact OD1-N 3.09Å; D195-A198 VanDerWaalsContact OD2-CB 3.28Å; D195-A198 WeakPolarHBondContact OD2-CB 3.46Å; A198-N202 PolarHBondContact O-N 3.23Å; A198-N202 VanDerWaalsContact O-N 3.12Å; A198-N202 PolarHBondContact O-ND2 3.22Å
199A91.1Very high88.5Confident0 Ų040.1 Ų40.10%021%0.213CC..Hα-helixtrans-61.4-49.1178.300000111.5M191 D195 F196 K201 N202 F203M191-A199 HydrophobicContact CB-CB 4.36Å; D195-A199 WeakPolarHBondContact O-CB 3.17Å; D195-A199 PolarHBondContact O-N 2.82Å; D195-A199 VanDerWaalsContact O-N 3.13Å; F196-A199 PolarHBondContact O-N 3.04Å; A199-K201 PolarHBondContact O-N 3.42Å; A199-N202 PolarHBondContact O-N 3.04Å; A199-F203 HydrophobicContact CB-CD2 4.16Å; A199-F203 HydrophobicContact CB-CE2 3.98Å; A199-F203 WeakPolarHBondContact O-CB 3.45Å; A199-F203 WeakPolarHBondContact O-CD2 3.44Å; A199-F203 VanDerWaalsContact O-CG 3.28Å; A199-F203 WeakPolarHBondContact O-CG 3.42Å; A199-F203 PolarHBondContact O-N 3.09Å
200A91.5Very high87.8Confident0 Ų038.8 Ų38.80%021%0.208CC..Hα-helixtrans-60.1-43.7-179.500000112.1F196 F203 L204 A232F196-A200 VanDerWaalsContact O-CB 3.27Å; F196-A200 WeakPolarHBondContact O-CB 3.42Å; F196-A200 PolarHBondContact O-N 3.24Å; A200-F203 PolarHBondContact O-N 3.44Å; A200-L204 VanDerWaalsContact O-CB 3.28Å; A200-L204 WeakPolarHBondContact O-CB 3.37Å; A200-L204 WeakPolarHBondContact O-CD1 3.49Å; A200-L204 WeakPolarHBondContact O-CG 3.22Å; A200-L204 PolarHBondContact O-N 2.93Å; A200-A232 HydrophobicContact CB-CB 3.55Å
201K91.9Very high87.2Confident136 Ų13639.5 Ų39.559%0.59121%0.212SC*.Hα-helixtrans-61.5-48.1177.2-70.7174.9-175.3173.70111.9D197 A199 F203 D205D197-K201 WeakPolarHBondContact O-CG 3.34Å; D197-K201 PolarHBondContact O-N 2.87Å; A199-K201 PolarHBondContact O-N 3.42Å; K201-F203 PolarHBondContact O-N 3.03Å; K201-D205 PolarHBondContact O-N 3.2Å
202N91Very high86.4Confident23 Ų2339.5 Ų39.512%0.12321%0.212CC..Hα-helixtrans-66.5-38.2-179.2-70.6-39000112.4K183 A198 A199 A206K183-N202 HydrophobicContact CB-CB 4.39Å; K183-N202 WeakPolarHBondContact O-CB 3.28Å; A198-N202 PolarHBondContact O-N 3.23Å; A198-N202 VanDerWaalsContact O-N 3.12Å; A198-N202 PolarHBondContact O-ND2 3.22Å; A199-N202 PolarHBondContact O-N 3.04Å; N202-A206 WeakPolarHBondContact O-CB 3.42Å; N202-A206 PolarHBondContact O-N 3.16Å
203F90.4Very high85.7Confident0 Ų040 Ų400%021%0.212CC..Hα-helixtrans-71.3-45.1178.9-71.2-39.1000112.4G187 L188 M191 A199 A200 K201 D205 A206 V207 F221 T225 S228G187-F203 WeakPolarHBondContact O-CZ 3.48Å; L188-F203 HydrophobicContact CB-CZ 4.5Å; L188-F203 VanDerWaalsContact N-CZ 3.35Å; M191-F203 HydrophobicContact SD-CE2 4.36Å; A199-F203 HydrophobicContact CB-CD2 4.16Å; A199-F203 HydrophobicContact CB-CE2 3.98Å; A199-F203 WeakPolarHBondContact O-CB 3.45Å; A199-F203 WeakPolarHBondContact O-CD2 3.44Å; A199-F203 VanDerWaalsContact O-CG 3.28Å; A199-F203 WeakPolarHBondContact O-CG 3.42Å; A199-F203 PolarHBondContact O-N 3.09Å; A200-F203 PolarHBondContact O-N 3.44Å; K201-F203 PolarHBondContact O-N 3.03Å; F203-D205 VanDerWaalsContact C-N 3.3Å; F203-D205 PolarHBondContact O-N 3.38Å; F203-A206 PolarHBondContact O-N 3.46Å; F203-V207 WeakPolarHBondContact O-CG2 3.38Å; F203-V207 PolarHBondContact O-N 3.43Å; F203-V207 VanDerWaalsContact O-N 3.14Å; F203-F221 HydrophobicContact CB-CZ 4.35Å; F203-F221 HydrophobicContact CD1-CD2 4.35Å; F203-F221 AromaticContact CD1-CE2 3.46Å; F203-F221 HydrophobicContact CD1-CE2 3.46Å; F203-F221 VanDerWaalsContact CD1-CE2 3.46Å; F203-F221 AromaticContact CD1-CZ 3.99Å; F203-F221 HydrophobicContact CD1-CZ 3.99Å; F203-F221 HydrophobicContact CE1-CD2 4.49Å; F203-F221 AromaticContact CE1-CE2 3.92Å; F203-F221 HydrophobicContact CE1-CE2 3.92Å; F203-F221 HydrophobicContact CG-CE2 4.33Å; F203-T225 HydrophobicContact CB-CG2 3.96Å; F203-S228 WeakPolarHBondContact CD2-OG 3.43Å
204L88.9Confident84.9Confident28 Ų2837.1 Ų37.115%0.14719%0.194CC..Hα-helixtrans-61.3-38.8179.1-71.2167.7000112.4A200 A206 T225 A229 L233 K241 V242 I248A200-L204 VanDerWaalsContact O-CB 3.28Å; A200-L204 WeakPolarHBondContact O-CB 3.37Å; A200-L204 WeakPolarHBondContact O-CD1 3.49Å; A200-L204 WeakPolarHBondContact O-CG 3.22Å; A200-L204 PolarHBondContact O-N 2.93Å; L204-A206 PolarHBondContact O-N 2.8Å; L204-T225 HydrophobicContact CD2-CG2 3.74Å; L204-T225 HydrophobicContact CG-CG2 4.19Å; L204-A229 HydrophobicContact CD1-CB 4.38Å; L204-L233 HydrophobicContact CD1-CD1 3.63Å; L204-L233 HydrophobicContact CD1-CG 4.44Å; L204-K241 HydrophobicContact CD1-CB 4.3Å; L204-K241 HydrophobicContact CD1-CD 3.99Å; L204-K241 HydrophobicContact CD2-CB 4.43Å; L204-V242 HydrophobicContact CD2-CG2 3.91Å; L204-I248 HydrophobicContact CD2-CD1 4.16Å
205D88.1Confident84.2Confident95 Ų9531.9 Ų31.951%0.50818%0.175SC..Hα-helixtrans-66.4-26.7174.4-81.110.3000113.3K183 K201 F203K183-D205 HydrophobicContact CD-CB 3.96Å; K183-D205 IonicContact NZ-OD2 3.78Å; K183-D205 PolarHBondContact NZ-OD2 2.94Å; K201-D205 PolarHBondContact O-N 3.2Å; F203-D205 VanDerWaalsContact C-N 3.3Å; F203-D205 PolarHBondContact O-N 3.38Å
206A87.2Confident83.5Confident0 Ų029.2 Ų29.20%016%0.161CC..Hα-helixtrans-96.1-6.5-17400000113.7K183 V184 N202 F203 L204 A208 F210 F221K183-A206 HydrophobicContact CB-CB 4.49Å; V184-A206 HydrophobicContact CG2-CB 3.68Å; N202-A206 WeakPolarHBondContact O-CB 3.42Å; N202-A206 PolarHBondContact O-N 3.16Å; F203-A206 PolarHBondContact O-N 3.46Å; L204-A206 PolarHBondContact O-N 2.8Å; A206-A208 VanDerWaalsContact C-N 3.31Å; A206-A208 PolarHBondContact O-N 3.16Å; A206-F210 PolarHBondContact O-N 2.92Å; A206-F221 HydrophobicContact CB-CZ 4.05Å
207V85.5Confident83.1Confident5 Ų531.4 Ų31.43%0.0317%0.173CC..SBendtrans-61-40.6-179.5-168.90000112F203 T209 F221 T225 E247 I248F203-V207 WeakPolarHBondContact O-CG2 3.38Å; F203-V207 PolarHBondContact O-N 3.43Å; F203-V207 VanDerWaalsContact O-N 3.14Å; V207-T209 VanDerWaalsContact C-N 3.32Å; V207-T209 PolarHBondContact O-N 3.49Å; V207-F221 HydrophobicContact CB-CE1 4.45Å; V207-F221 HydrophobicContact CG2-CE1 4.09Å; V207-T225 HydrophobicContact CG2-CG2 3.81Å; V207-E247 HydrophobicContact CG1-CB 3.95Å; V207-E247 VanDerWaalsContact CG1-OE2 3.32Å; V207-E247 WeakPolarHBondContact CG1-OE2 3.49Å; V207-I248 HydrophobicContact CG1-CG1 3.96Å; V207-I248 HydrophobicContact CG2-CD1 4.49Å
208A80.6Confident82.8Confident60 Ų6028.4 Ų28.450%0.49616%0.155SC..THydrogen-bonded Turntrans-69.8-27.9-173.700000114.7A206 E247A206-A208 VanDerWaalsContact C-N 3.31Å; A206-A208 PolarHBondContact O-N 3.16Å; A208-E247 WeakPolarHBondContact CA-OE1 3.49Å; A208-E247 WeakPolarHBondContact CA-OE2 3.28Å; A208-E247 WeakPolarHBondContact CB-OE1 3.12Å; A208-E247 PolarHBondContact N-OE2 3.32Å
209T82.5Confident82.6Confident42 Ų4233 Ų3326%0.25817%0.17SC..THydrogen-bonded Turntrans-136.648.2-173.653.10000110.8W176 N180 V207 T211W176-T209 HydrophobicContact CH2-CG2 3.25Å; W176-T209 WeakPolarHBondContact CH2-OG1 3.44Å; W176-T209 HydrophobicContact CZ2-CG2 4.49Å; W176-T209 HydrophobicContact CZ3-CG2 3.54Å; N180-T209 PolarHBondContact ND2-OG1 3.04Å; V207-T209 VanDerWaalsContact C-N 3.32Å; V207-T209 PolarHBondContact O-N 3.49Å; T209-T211 PolarHBondContact O-N 3.08Å
210F76.8Confident82.3Confident11 Ų1134.6 Ų34.65%0.04818%0.18CC..  trans-71.9110.5175.5-176.1-93.9000110.2V184 A206 S212 Y213 M216 Y218 F221V184-F210 HydrophobicContact CG1-CE2 4.18Å; V184-F210 HydrophobicContact CG2-CD2 4.19Å; V184-F210 HydrophobicContact CG2-CE2 4.31Å; A206-F210 PolarHBondContact O-N 2.92Å; F210-S212 VanDerWaalsContact CZ-O 3.28Å; F210-S212 WeakPolarHBondContact CZ-O 3.14Å; F210-Y213 HydrophobicContact CD1-CE1 4.42Å; F210-Y213 HydrophobicContact CE1-CD1 4.18Å; F210-Y213 HydrophobicContact CE1-CE1 4.2Å; F210-Y213 HydrophobicContact CE1-CG 4.45Å; F210-M216 HydrophobicContact CE2-CG 4.49Å; F210-M216 HydrophobicContact CZ-CG 4.08Å; F210-Y218 HydrophobicContact CB-CD2 3.9Å; F210-Y218 HydrophobicContact CB-CE2 3.76Å; F210-Y218 AromaticContact CD1-CD2 3.51Å; F210-Y218 HydrophobicContact CD1-CD2 3.51Å; F210-Y218 HydrophobicContact CD1-CE2 4.27Å; F210-Y218 HydrophobicContact CD1-CG 4.38Å; F210-Y218 HydrophobicContact CE1-CD2 4.2Å; F210-Y218 AromaticContact CG-CD2 3.78Å; F210-Y218 HydrophobicContact CG-CD2 3.78Å; F210-Y218 HydrophobicContact CG-CE2 4.15Å; F210-F221 HydrophobicContact CD2-CB 4.4Å; F210-F221 AromaticContact CD2-CD1 3.71Å; F210-F221 HydrophobicContact CD2-CD1 3.71Å; F210-F221 AromaticContact CD2-CD2 3.83Å; F210-F221 HydrophobicContact CD2-CD2 3.83Å; F210-F221 AromaticContact CD2-CE1 3.88Å; F210-F221 HydrophobicContact CD2-CE1 3.88Å; F210-F221 AromaticContact CD2-CE2 3.96Å; F210-F221 HydrophobicContact CD2-CE2 3.96Å; F210-F221 AromaticContact CD2-CG 3.69Å; F210-F221 HydrophobicContact CD2-CG 3.69Å; F210-F221 AromaticContact CD2-CZ 4Å; F210-F221 HydrophobicContact CD2-CZ 4Å; F210-F221 HydrophobicContact CE2-CB 3.92Å; F210-F221 HydrophobicContact CE2-CD1 4.04Å; F210-F221 AromaticContact CE2-CD2 3.46Å; F210-F221 HydrophobicContact CE2-CD2 3.46Å; F210-F221 VanDerWaalsContact CE2-CD2 3.46Å; F210-F221 HydrophobicContact CE2-CE1 4.48Å; F210-F221 AromaticContact CE2-CE2 3.95Å; F210-F221 HydrophobicContact CE2-CE2 3.95Å; F210-F221 AromaticContact CE2-CG 3.51Å; F210-F221 HydrophobicContact CE2-CG 3.51Å; F210-F221 HydrophobicContact CE2-CZ 4.44Å; F210-F221 HydrophobicContact CG-CD1 4.26Å; F210-F221 HydrophobicContact CZ-CB 4.09Å; F210-F221 HydrophobicContact CZ-CD2 4.39Å; F210-F221 HydrophobicContact CZ-CG 4.19Å
211T76.7Confident82.2Confident26 Ų2634.6 Ų34.616%0.1618%0.18CC..  trans-115.72.4174.5530000112.2D177 R181 T209 Y213D177-T211 WeakPolarHBondContact OD1-CG2 3.28Å; D177-T211 PolarHBondContact OD1-OG1 2.9Å; R181-T211 PolarHBondContact NE-OG1 3.47Å; T209-T211 PolarHBondContact O-N 3.08Å; T211-Y213 VanDerWaalsContact C-N 3.35Å; T211-Y213 PolarHBondContact O-N 3.5Å; T211-Y213 VanDerWaalsContact O-N 3.11Å
212S71.5Confident82Confident1 Ų128.1 Ų28.11%0.00715%0.152CC..  trans-89.853.4-170.1-57.40000114R181 F210 E214 L215R181-S212 WeakPolarHBondContact CG-OG 3.28Å; F210-S212 VanDerWaalsContact CZ-O 3.28Å; F210-S212 WeakPolarHBondContact CZ-O 3.14Å; S212-E214 PolarHBondContact O-N 3.28Å; S212-E214 VanDerWaalsContact O-N 3.13Å; S212-L215 PolarHBondContact O-N 2.87Å
213Y71.8Confident82Confident22 Ų2228 Ų289%0.08615%0.151CC..THydrogen-bonded Turntrans-64.6-13.3177.3-66.2-78.6000114.1L6 E7 F210 T211 L215L6-Y213 HydrophobicContact CB-CE2 4.02Å; L6-Y213 WeakPolarHBondContact CB-OH 3.2Å; L6-Y213 WeakPolarHBondContact O-CD2 3.28Å; L6-Y213 WeakPolarHBondContact O-CE2 3.49Å; E7-Y213 HydrophobicContact CG-CD1 4.25Å; E7-Y213 HydrophobicContact CG-CE1 4.25Å; F210-Y213 HydrophobicContact CD1-CE1 4.42Å; F210-Y213 HydrophobicContact CE1-CD1 4.18Å; F210-Y213 HydrophobicContact CE1-CE1 4.2Å; F210-Y213 HydrophobicContact CE1-CG 4.45Å; T211-Y213 VanDerWaalsContact C-N 3.35Å; T211-Y213 PolarHBondContact O-N 3.5Å; T211-Y213 VanDerWaalsContact O-N 3.11Å; Y213-L215 VanDerWaalsContact C-N 3.34Å
214E68.4Low81.9Confident8 Ų828.2 Ų28.24%0.03715%0.152CC..THydrogen-bonded Turntrans-63.2-37.8173.2-64.6156.8-13100112.9L11 R148 R181 Y185 S212L11-E214 VanDerWaalsContact CB-CD 3.4Å; L11-E214 HydrophobicContact CB-CG 3.84Å; L11-E214 WeakPolarHBondContact CB-OE1 3.32Å; L11-E214 WeakPolarHBondContact CD1-OE1 3.32Å; L11-E214 WeakPolarHBondContact CG-OE1 3.23Å; L11-E214 PolarHBondContact N-OE1 3.12Å; L11-E214 VanDerWaalsContact O-CG 3.23Å; L11-E214 WeakPolarHBondContact O-CG 3.49Å; R148-E214 IonicContact CZ-OE2 2.59Å; R148-E214 IonicContact NE-OE2 3.71Å; R148-E214 PolarHBondContact NE-OE2 2.79Å; R148-E214 VanDerWaalsContact NE-OE2 3.12Å; R148-E214 IonicContact NH1-OE2 2.84Å; R148-E214 PolarHBondContact NH1-OE2 3.39Å; R148-E214 IonicContact NH2-OE2 3.01Å; R148-E214 PolarHBondContact NH2-OE2 3.02Å; R181-E214 IonicContact NH1-OE1 3.66Å; R181-E214 PolarHBondContact NH1-OE1 2.86Å; Y185-E214 PolarHBondContact OH-OE2 2.99Å; S212-E214 PolarHBondContact O-N 3.28Å; S212-E214 VanDerWaalsContact O-N 3.13Å
215L73.5Confident82Confident16 Ų1626.9 Ų26.98%0.08415%0.145CC..THydrogen-bonded Turntrans-82.6-52.7-174.6-77.4175.6000111.3L17 R148 V184 Y185 L188 S212 Y213L17-L215 HydrophobicContact CD1-CD2 3.59Å; R148-L215 HydrophobicContact CG-CD2 4.34Å; V184-L215 HydrophobicContact CB-CD1 4.42Å; V184-L215 HydrophobicContact CG1-CD1 3.62Å; Y185-L215 HydrophobicContact CD1-CD1 3.55Å; Y185-L215 HydrophobicContact CD1-CD2 3.82Å; Y185-L215 HydrophobicContact CD1-CG 4.07Å; Y185-L215 HydrophobicContact CE1-CD1 3.52Å; Y185-L215 HydrophobicContact CE1-CD2 3.43Å; Y185-L215 VanDerWaalsContact CE1-CD2 3.43Å; Y185-L215 HydrophobicContact CE1-CG 3.59Å; Y185-L215 HydrophobicContact CG-CD1 4.17Å; L188-L215 HydrophobicContact CD2-CD2 4.12Å; S212-L215 PolarHBondContact O-N 2.87Å; Y213-L215 VanDerWaalsContact C-N 3.34Å
216M73.3Confident82.1Confident16 Ų1622.3 Ų22.38%0.07912%0.121CC..  trans-157.1156.2-170.163.4-168.487.400110.8V184 L188 F210 F221 Y224V184-M216 HydrophobicContact CG1-CE 4.27Å; L188-M216 HydrophobicContact CD1-CE 4.1Å; L188-M216 HydrophobicContact CD2-CE 4.07Å; L188-M216 HydrophobicContact CG-CE 4.5Å; F210-M216 HydrophobicContact CE2-CG 4.49Å; F210-M216 HydrophobicContact CZ-CG 4.08Å; M216-F221 HydrophobicContact CE-CD2 4.47Å; M216-F221 HydrophobicContact CG-CB 3.89Å; M216-F221 HydrophobicContact CG-CD2 4.5Å; M216-F221 VanDerWaalsContact SD-CA 3.53Å; M216-F221 HydrophobicContact SD-CB 3.68Å; M216-F221 HydrophobicContact SD-CD2 3.72Å; M216-F221 HydrophobicContact SD-CG 4.21Å; M216-Y224 HydrophobicContact CE-CD2 4.34Å; M216-Y224 HydrophobicContact CE-CE2 4.47Å; M216-Y224 HydrophobicContact SD-CD2 3.63Å; M216-Y224 HydrophobicContact SD-CE2 3.88Å
217D82.6Confident82.2Confident53 Ų5322.7 Ų22.728%0.28312%0.123SC..  trans-65147.7168.1-177.120.8000110K219 T220 F221D217-K219 PolarHBondContact O-N 3.17Å; D217-T220 WeakPolarHBondContact O-CB 3.13Å; D217-T220 PolarHBondContact O-N 3.34Å; D217-F221 PolarHBondContact O-N 3.32Å
218Y85.1Confident82.4Confident32 Ų3222.6 Ų22.613%0.12512%0.122CC..Hα-helixtrans-57.8-35.2-179.6-174.8-120.4000111.8L3 F210 T220 F221 I222 V251L3-Y218 HydrophobicContact CD2-CD1 4.49Å; F210-Y218 HydrophobicContact CB-CD2 3.9Å; F210-Y218 HydrophobicContact CB-CE2 3.76Å; F210-Y218 AromaticContact CD1-CD2 3.51Å; F210-Y218 HydrophobicContact CD1-CD2 3.51Å; F210-Y218 HydrophobicContact CD1-CE2 4.27Å; F210-Y218 HydrophobicContact CD1-CG 4.38Å; F210-Y218 HydrophobicContact CE1-CD2 4.2Å; F210-Y218 AromaticContact CG-CD2 3.78Å; F210-Y218 HydrophobicContact CG-CD2 3.78Å; F210-Y218 HydrophobicContact CG-CE2 4.15Å; Y218-T220 PolarHBondContact O-N 3.38Å; Y218-F221 HydrophobicContact CD2-CD1 4.42Å; Y218-F221 HydrophobicContact CE2-CD1 4.47Å; Y218-F221 WeakPolarHBondContact O-CB 3.5Å; Y218-F221 PolarHBondContact O-N 2.89Å; Y218-I222 HydrophobicContact CD1-CD1 4.01Å; Y218-I222 HydrophobicContact CD2-CD1 4.5Å; Y218-I222 HydrophobicContact CE1-CD1 3.5Å; Y218-I222 VanDerWaalsContact CE1-CD1 3.5Å; Y218-I222 HydrophobicContact CE2-CD1 4.05Å; Y218-I222 HydrophobicContact CE2-CG1 4.4Å; Y218-I222 HydrophobicContact CG-CD1 4.49Å; Y218-I222 PolarHBondContact O-N 3.47Å; Y218-V251 HydrophobicContact CD1-CG2 3.9Å; Y218-V251 HydrophobicContact CE1-CG2 3.49Å; Y218-V251 VanDerWaalsContact CE1-CG2 3.49Å
219K86.5Confident83Confident118 Ų11819.7 Ų19.751%0.51310%0.098SC..Hα-helixtrans-60.7-46.6174.2-65179-176.7172.80111.9D217 I222 I223 V251 L255D217-K219 PolarHBondContact O-N 3.17Å; K219-I222 PolarHBondContact O-N 3.5Å; K219-I223 WeakPolarHBondContact O-CG1 3.29Å; K219-I223 PolarHBondContact O-N 2.93Å; K219-I223 VanDerWaalsContact O-N 3.11Å; K219-V251 HydrophobicContact CG-CG1 4.22Å; K219-L255 HydrophobicContact CB-CD1 4.43Å
220T85.4Confident83.3Confident35 Ų3518 Ų1822%0.2159%0.087CC..Hα-helixtrans-66.9-38.8178.1-50.40000111.4D217 Y218 I222 I223 Y224D217-T220 WeakPolarHBondContact O-CB 3.13Å; D217-T220 PolarHBondContact O-N 3.34Å; Y218-T220 PolarHBondContact O-N 3.38Å; T220-I222 VanDerWaalsContact C-N 3.32Å; T220-I222 PolarHBondContact O-N 3.03Å; T220-I223 WeakPolarHBondContact O-CB 3.28Å; T220-I223 PolarHBondContact O-N 3.43Å; T220-Y224 HydrophobicContact CG2-CD2 4.2Å; T220-Y224 HydrophobicContact CG2-CE1 4.32Å; T220-Y224 HydrophobicContact CG2-CE2 3.5Å; T220-Y224 VanDerWaalsContact CG2-CE2 3.5Å; T220-Y224 WeakPolarHBondContact O-CD2 3.36Å; T220-Y224 PolarHBondContact O-N 2.95Å
221F88.3Confident84Confident0 Ų018.2 Ų18.20%09%0.089CC..Hα-helixtrans-57.8-44.9174.7178.1-102.2000112.2V184 F203 A206 V207 F210 M216 D217 Y218 I223 Y224 T225V184-F221 HydrophobicContact CG1-CD2 4.22Å; V184-F221 HydrophobicContact CG1-CE2 3.92Å; V184-F221 HydrophobicContact CG2-CE2 3.97Å; V184-F221 HydrophobicContact CG2-CZ 4.34Å; F203-F221 HydrophobicContact CB-CZ 4.35Å; F203-F221 HydrophobicContact CD1-CD2 4.35Å; F203-F221 AromaticContact CD1-CE2 3.46Å; F203-F221 HydrophobicContact CD1-CE2 3.46Å; F203-F221 VanDerWaalsContact CD1-CE2 3.46Å; F203-F221 AromaticContact CD1-CZ 3.99Å; F203-F221 HydrophobicContact CD1-CZ 3.99Å; F203-F221 HydrophobicContact CE1-CD2 4.49Å; F203-F221 AromaticContact CE1-CE2 3.92Å; F203-F221 HydrophobicContact CE1-CE2 3.92Å; F203-F221 HydrophobicContact CG-CE2 4.33Å; A206-F221 HydrophobicContact CB-CZ 4.05Å; V207-F221 HydrophobicContact CB-CE1 4.45Å; V207-F221 HydrophobicContact CG2-CE1 4.09Å; F210-F221 HydrophobicContact CD2-CB 4.4Å; F210-F221 AromaticContact CD2-CD1 3.71Å; F210-F221 HydrophobicContact CD2-CD1 3.71Å; F210-F221 AromaticContact CD2-CD2 3.83Å; F210-F221 HydrophobicContact CD2-CD2 3.83Å; F210-F221 AromaticContact CD2-CE1 3.88Å; F210-F221 HydrophobicContact CD2-CE1 3.88Å; F210-F221 AromaticContact CD2-CE2 3.96Å; F210-F221 HydrophobicContact CD2-CE2 3.96Å; F210-F221 AromaticContact CD2-CG 3.69Å; F210-F221 HydrophobicContact CD2-CG 3.69Å; F210-F221 AromaticContact CD2-CZ 4Å; F210-F221 HydrophobicContact CD2-CZ 4Å; F210-F221 HydrophobicContact CE2-CB 3.92Å; F210-F221 HydrophobicContact CE2-CD1 4.04Å; F210-F221 AromaticContact CE2-CD2 3.46Å; F210-F221 HydrophobicContact CE2-CD2 3.46Å; F210-F221 VanDerWaalsContact CE2-CD2 3.46Å; F210-F221 HydrophobicContact CE2-CE1 4.48Å; F210-F221 AromaticContact CE2-CE2 3.95Å; F210-F221 HydrophobicContact CE2-CE2 3.95Å; F210-F221 AromaticContact CE2-CG 3.51Å; F210-F221 HydrophobicContact CE2-CG 3.51Å; F210-F221 HydrophobicContact CE2-CZ 4.44Å; F210-F221 HydrophobicContact CG-CD1 4.26Å; F210-F221 HydrophobicContact CZ-CB 4.09Å; F210-F221 HydrophobicContact CZ-CD2 4.39Å; F210-F221 HydrophobicContact CZ-CG 4.19Å; M216-F221 HydrophobicContact CE-CD2 4.47Å; M216-F221 HydrophobicContact CG-CB 3.89Å; M216-F221 HydrophobicContact CG-CD2 4.5Å; M216-F221 VanDerWaalsContact SD-CA 3.53Å; M216-F221 HydrophobicContact SD-CB 3.68Å; M216-F221 HydrophobicContact SD-CD2 3.72Å; M216-F221 HydrophobicContact SD-CG 4.21Å; D217-F221 PolarHBondContact O-N 3.32Å; Y218-F221 HydrophobicContact CD2-CD1 4.42Å; Y218-F221 HydrophobicContact CE2-CD1 4.47Å; Y218-F221 WeakPolarHBondContact O-CB 3.5Å; Y218-F221 PolarHBondContact O-N 2.89Å; F221-I223 VanDerWaalsContact C-N 3.35Å; F221-I223 PolarHBondContact O-N 3.46Å; F221-Y224 PolarHBondContact O-N 3.27Å; F221-T225 WeakPolarHBondContact O-CB 3.48Å; F221-T225 PolarHBondContact O-N 2.91Å; F221-T225 PolarHBondContact O-OG1 2.97Å
222I88.8Confident84.6Confident0 Ų018 Ų180%09%0.09CC..Hα-helixtrans-66.9-37.8177.8-72.5175.6000111.4Y218 K219 T220 Y224 T225 V226 I248 V251 L252Y218-I222 HydrophobicContact CD1-CD1 4.01Å; Y218-I222 HydrophobicContact CD2-CD1 4.5Å; Y218-I222 HydrophobicContact CE1-CD1 3.5Å; Y218-I222 VanDerWaalsContact CE1-CD1 3.5Å; Y218-I222 HydrophobicContact CE2-CD1 4.05Å; Y218-I222 HydrophobicContact CE2-CG1 4.4Å; Y218-I222 HydrophobicContact CG-CD1 4.49Å; Y218-I222 PolarHBondContact O-N 3.47Å; K219-I222 PolarHBondContact O-N 3.5Å; T220-I222 VanDerWaalsContact C-N 3.32Å; T220-I222 PolarHBondContact O-N 3.03Å; I222-Y224 PolarHBondContact O-N 3.32Å; I222-T225 PolarHBondContact O-N 2.85Å; I222-V226 HydrophobicContact CG2-CG2 4.33Å; I222-V226 WeakPolarHBondContact O-CG2 3.15Å; I222-V226 PolarHBondContact O-N 3.5Å; I222-I248 HydrophobicContact CG2-CG2 4.45Å; I222-V251 HydrophobicContact CB-CG1 4.34Å; I222-V251 HydrophobicContact CD1-CB 3.41Å; I222-V251 VanDerWaalsContact CD1-CB 3.41Å; I222-V251 HydrophobicContact CD1-CG1 3.75Å; I222-V251 HydrophobicContact CD1-CG2 3.34Å; I222-V251 HydrophobicContact CG2-CB 4.41Å; I222-V251 HydrophobicContact CG2-CG1 4.35Å; I222-L252 HydrophobicContact CG2-CD1 3.7Å
223I89.4Confident85.4Confident20 Ų2019.2 Ų19.210%0.10310%0.096CC..Hα-helixtrans-55.5-53.2172.1-63.9164000109.5K219 T220 F221 T225 V226 M227 L255 V258 F283K219-I223 WeakPolarHBondContact O-CG1 3.29Å; K219-I223 PolarHBondContact O-N 2.93Å; K219-I223 VanDerWaalsContact O-N 3.11Å; T220-I223 WeakPolarHBondContact O-CB 3.28Å; T220-I223 PolarHBondContact O-N 3.43Å; F221-I223 VanDerWaalsContact C-N 3.35Å; F221-I223 PolarHBondContact O-N 3.46Å; I223-T225 VanDerWaalsContact C-N 3.28Å; I223-T225 PolarHBondContact O-N 3.49Å; I223-V226 PolarHBondContact O-N 2.88Å; I223-M227 HydrophobicContact CG2-CG 4.1Å; I223-M227 WeakPolarHBondContact O-CB 3.5Å; I223-M227 WeakPolarHBondContact O-CG 3.4Å; I223-M227 PolarHBondContact O-N 3.31Å; I223-L255 HydrophobicContact CD1-CD1 3.76Å; I223-L255 HydrophobicContact CG1-CD1 3.69Å; I223-V258 HydrophobicContact CG1-CG2 4.15Å; I223-V258 HydrophobicContact CG2-CG2 4.45Å; I223-F283 HydrophobicContact CD1-CZ 4.4Å; I223-F283 HydrophobicContact CG2-CE1 3.98Å; I223-F283 HydrophobicContact CG2-CZ 4.44Å
224Y89.8Confident86.1Confident4 Ų425.7 Ų25.72%0.01613%0.125CC..Hα-helixtrans-62.2-35.7179-61.2-34.4000113.6M191 M216 T220 F221 I222 M227 S228 F283 D287 L290M191-Y224 HydrophobicContact CE-CD1 3.99Å; M191-Y224 HydrophobicContact CE-CD2 4.14Å; M191-Y224 HydrophobicContact CE-CE1 4.21Å; M191-Y224 HydrophobicContact CE-CE2 4.35Å; M191-Y224 HydrophobicContact CE-CG 3.95Å; M191-Y224 HydrophobicContact SD-CD1 4.14Å; M191-Y224 HydrophobicContact SD-CG 4.14Å; M216-Y224 HydrophobicContact CE-CD2 4.34Å; M216-Y224 HydrophobicContact CE-CE2 4.47Å; M216-Y224 HydrophobicContact SD-CD2 3.63Å; M216-Y224 HydrophobicContact SD-CE2 3.88Å; T220-Y224 HydrophobicContact CG2-CD2 4.2Å; T220-Y224 HydrophobicContact CG2-CE1 4.32Å; T220-Y224 HydrophobicContact CG2-CE2 3.5Å; T220-Y224 VanDerWaalsContact CG2-CE2 3.5Å; T220-Y224 WeakPolarHBondContact O-CD2 3.36Å; T220-Y224 PolarHBondContact O-N 2.95Å; F221-Y224 PolarHBondContact O-N 3.27Å; I222-Y224 PolarHBondContact O-N 3.32Å; Y224-M227 PolarHBondContact O-N 3.25Å; Y224-S228 WeakPolarHBondContact O-CB 3.28Å; Y224-S228 PolarHBondContact O-N 3.35Å; Y224-S228 PolarHBondContact O-OG 3.48Å; Y224-F283 HydrophobicContact CE1-CE1 4.44Å; Y224-D287 WeakPolarHBondContact CE1-OD2 3.33Å; Y224-D287 PolarHBondContact OH-OD1 3.17Å; Y224-D287 PolarHBondContact OH-OD2 3.41Å; Y224-L290 HydrophobicContact CD1-CD1 4.07Å; Y224-L290 HydrophobicContact CE1-CD1 4Å
225T90.5Very high86.9Confident0 Ų031.3 Ų31.30%015%0.146CC..Hα-helixtrans-62.9-48.9176.8-56.50000110.8F203 L204 V207 F221 I222 I223 M227 S228 A229F203-T225 HydrophobicContact CB-CG2 3.96Å; L204-T225 HydrophobicContact CD2-CG2 3.74Å; L204-T225 HydrophobicContact CG-CG2 4.19Å; V207-T225 HydrophobicContact CG2-CG2 3.81Å; F221-T225 WeakPolarHBondContact O-CB 3.48Å; F221-T225 PolarHBondContact O-N 2.91Å; F221-T225 PolarHBondContact O-OG1 2.97Å; I222-T225 PolarHBondContact O-N 2.85Å; I223-T225 VanDerWaalsContact C-N 3.28Å; I223-T225 PolarHBondContact O-N 3.49Å; T225-M227 PolarHBondContact O-N 2.83Å; T225-S228 PolarHBondContact O-OG 3.31Å; T225-A229 WeakPolarHBondContact O-CB 3.45Å; T225-A229 PolarHBondContact O-N 3.18Å
226V90.5Very high87.6Confident0 Ų034.7 Ų34.70%017%0.169CC..Hα-helixtrans-64.1-44.6178.21740000110.6I222 I223 S228 A229 M230 V242 I248 L252 V258 L262I222-V226 HydrophobicContact CG2-CG2 4.33Å; I222-V226 WeakPolarHBondContact O-CG2 3.15Å; I222-V226 PolarHBondContact O-N 3.5Å; I223-V226 PolarHBondContact O-N 2.88Å; V226-S228 PolarHBondContact O-N 3.21Å; V226-A229 PolarHBondContact O-N 3Å; V226-M230 HydrophobicContact CG1-CG 4.34Å; V226-M230 HydrophobicContact CG1-SD 3.89Å; V226-M230 VanDerWaalsContact O-CG 3.29Å; V226-M230 WeakPolarHBondContact O-CG 3.48Å; V226-M230 PolarHBondContact O-N 3.48Å; V226-V242 HydrophobicContact CG2-CG1 4.17Å; V226-I248 HydrophobicContact CG2-CG2 4.04Å; V226-L252 HydrophobicContact CG2-CD1 4.09Å; V226-V258 HydrophobicContact CB-CG1 4.08Å; V226-V258 HydrophobicContact CG1-CG1 3.81Å; V226-V258 HydrophobicContact CG2-CG1 4.35Å; V226-L262 HydrophobicContact CG1-CB 4.39Å; V226-L262 HydrophobicContact CG1-CD1 4.33Å
227M89.2Confident88.4Confident8 Ų837 Ų374%0.03918%0.181CC..Hα-helixtrans-61.6-44.9-179.1-70.3-54.2-6700112.5I223 Y224 T225 Y261 V280 M284 Y297I223-M227 HydrophobicContact CG2-CG 4.1Å; I223-M227 WeakPolarHBondContact O-CB 3.5Å; I223-M227 WeakPolarHBondContact O-CG 3.4Å; I223-M227 PolarHBondContact O-N 3.31Å; Y224-M227 PolarHBondContact O-N 3.25Å; T225-M227 PolarHBondContact O-N 2.83Å; M227-Y261 HydrophobicContact CE-CE1 4.12Å; M227-Y261 HydrophobicContact SD-CD1 4.01Å; M227-Y261 HydrophobicContact SD-CE1 3.58Å; M227-Y261 VanDerWaalsContact SD-CE1 3.58Å; M227-V280 HydrophobicContact CE-CB 4.46Å; M227-V280 HydrophobicContact CE-CG1 3.03Å; M227-V280 HydrophobicContact SD-CG1 3.72Å; M227-M284 HydrophobicContact CE-CE 3.1Å; M227-M284 HydrophobicContact CE-SD 3.98Å; M227-Y297 HydrophobicContact CB-CE2 4.47Å; M227-Y297 HydrophobicContact CE-CD1 4.13Å; M227-Y297 HydrophobicContact CE-CE1 3.26Å; M227-Y297 HydrophobicContact CE-CE2 3.88Å; M227-Y297 WeakPolarHBondContact CE-OH 3.5Å; M227-Y297 VanDerWaalsContact O-CE2 3.3Å; M227-Y297 WeakPolarHBondContact O-CE2 3.38Å; M227-Y297 PolarHBondContact O-OH 3.21Å
228S89.9Confident88.7Confident2 Ų234.9 Ų34.91%0.01417%0.17CC..Hα-helixtrans-70.8-40.1177.561.10000111.8F203 Y224 T225 V226 M230 I231 A232F203-S228 WeakPolarHBondContact CD2-OG 3.43Å; Y224-S228 WeakPolarHBondContact O-CB 3.28Å; Y224-S228 PolarHBondContact O-N 3.35Å; Y224-S228 PolarHBondContact O-OG 3.48Å; T225-S228 PolarHBondContact O-OG 3.31Å; V226-S228 PolarHBondContact O-N 3.21Å; S228-M230 VanDerWaalsContact C-N 3.34Å; S228-M230 PolarHBondContact O-N 3.35Å; S228-I231 PolarHBondContact O-N 3.27Å; S228-A232 WeakPolarHBondContact O-CB 3.45Å; S228-A232 PolarHBondContact O-N 2.84Å; S228-A232 VanDerWaalsContact O-N 3.13Å
229A91.6Very high88.8Confident0 Ų039.1 Ų39.10%019%0.186CC..Hα-helixtrans-63.7-35.9177.700000112.9L204 T225 V226 I231 A232 L233 L238 V242L204-A229 HydrophobicContact CD1-CB 4.38Å; T225-A229 WeakPolarHBondContact O-CB 3.45Å; T225-A229 PolarHBondContact O-N 3.18Å; V226-A229 PolarHBondContact O-N 3Å; A229-I231 VanDerWaalsContact C-N 3.3Å; A229-I231 PolarHBondContact O-N 2.89Å; A229-A232 PolarHBondContact O-N 3.47Å; A229-L233 HydrophobicContact CB-CD1 4.16Å; A229-L233 HydrophobicContact CB-CG 4.5Å; A229-L233 VanDerWaalsContact O-CB 3.31Å; A229-L233 WeakPolarHBondContact O-CB 3.11Å; A229-L233 PolarHBondContact O-N 2.97Å; A229-L238 HydrophobicContact CB-CD1 4.33Å; A229-V242 HydrophobicContact CB-CG2 3.74Å
230M90.1Very high88.9Confident5 Ų540.1 Ų40.13%0.02519%0.192CC..Hα-helixtrans-66.3-28.2179.9-76.8178.972.200114V226 S228 L238 Y261 L262 L265 F273 M301V226-M230 HydrophobicContact CG1-CG 4.34Å; V226-M230 HydrophobicContact CG1-SD 3.89Å; V226-M230 VanDerWaalsContact O-CG 3.29Å; V226-M230 WeakPolarHBondContact O-CG 3.48Å; V226-M230 PolarHBondContact O-N 3.48Å; S228-M230 VanDerWaalsContact C-N 3.34Å; S228-M230 PolarHBondContact O-N 3.35Å; M230-L238 HydrophobicContact CG-CD1 4.39Å; M230-Y261 HydrophobicContact CE-CD1 3.62Å; M230-Y261 HydrophobicContact CE-CD2 4.28Å; M230-Y261 HydrophobicContact CE-CE1 3.28Å; M230-Y261 HydrophobicContact CE-CE2 3.98Å; M230-Y261 HydrophobicContact CE-CG 4.11Å; M230-Y261 VanDerWaalsContact CE-CZ 3.45Å; M230-Y261 HydrophobicContact SD-CD1 3.38Å; M230-Y261 WeakPolarHBondContact SD-CD1 3.28Å; M230-Y261 HydrophobicContact SD-CE1 3.15Å; M230-Y261 WeakPolarHBondContact SD-CE1 3.28Å; M230-Y261 HydrophobicContact SD-CG 4.36Å; M230-L262 HydrophobicContact CG-CD1 3.92Å; M230-L262 HydrophobicContact SD-CB 4.42Å; M230-L262 HydrophobicContact SD-CD1 3.95Å; M230-L265 HydrophobicContact CE-CB 4.18Å; M230-L265 HydrophobicContact CE-CD2 3.58Å; M230-F273 HydrophobicContact CE-CE2 4.24Å; M230-M301 HydrophobicContact CB-CE 4.25Å; M230-M301 HydrophobicContact CB-SD 4.23Å; M230-M301 HydrophobicContact CE-CE 3.89Å
231I90.5Very high89Confident17 Ų1743.2 Ų43.29%0.08720%0.203CC..Hα-helixtrans-83.6-46173.7-70.9-169000111.1F196 S228 A229 Y297 E300 M301F196-I231 HydrophobicContact CB-CB 4.36Å; F196-I231 HydrophobicContact CB-CG2 4.05Å; F196-I231 HydrophobicContact CD2-CD1 4.34Å; F196-I231 HydrophobicContact CD2-CG2 4.28Å; F196-I231 HydrophobicContact CE2-CD1 4.43Å; F196-I231 HydrophobicContact CG-CG2 4.31Å; S228-I231 PolarHBondContact O-N 3.27Å; A229-I231 VanDerWaalsContact C-N 3.3Å; A229-I231 PolarHBondContact O-N 2.89Å; I231-Y297 HydrophobicContact CD1-CD1 4.47Å; I231-Y297 HydrophobicContact CD1-CD2 3.06Å; I231-Y297 HydrophobicContact CD1-CE2 3.11Å; I231-Y297 HydrophobicContact CD1-CG 3.77Å; I231-Y297 HydrophobicContact CG1-CD2 4.03Å; I231-Y297 HydrophobicContact CG1-CE2 3.54Å; I231-E300 HydrophobicContact CD1-CB 4.38Å; I231-M301 HydrophobicContact CD1-CG 4.47Å; I231-M301 HydrophobicContact CD1-SD 4.42Å; I231-M301 HydrophobicContact CG1-CG 4.21Å; I231-M301 HydrophobicContact CG1-SD 3.55Å; I231-M301 VanDerWaalsContact CG1-SD 3.55Å
232A89.9Confident88.9Confident21 Ų2143.2 Ų43.217%0.17420%0.203CC..Hα-helixtrans-77.2-38.7-169.400000113.8D197 A200 S228 A229D197-A232 WeakPolarHBondContact OD1-CA 3.31Å; D197-A232 WeakPolarHBondContact OD1-CB 3.1Å; A200-A232 HydrophobicContact CB-CB 3.55Å; S228-A232 WeakPolarHBondContact O-CB 3.45Å; S228-A232 PolarHBondContact O-N 2.84Å; S228-A232 VanDerWaalsContact O-N 3.13Å; A229-A232 PolarHBondContact O-N 3.47Å
233L88.1Confident88.7Confident26 Ų2644.1 Ų44.114%0.13621%0.208CC..SBendtrans-90.6141.6-170.4-62.8-175.3000112.1L204 A229 D237 L238 K241 V242L204-L233 HydrophobicContact CD1-CD1 3.63Å; L204-L233 HydrophobicContact CD1-CG 4.44Å; A229-L233 HydrophobicContact CB-CD1 4.16Å; A229-L233 HydrophobicContact CB-CG 4.5Å; A229-L233 VanDerWaalsContact O-CB 3.31Å; A229-L233 WeakPolarHBondContact O-CB 3.11Å; A229-L233 PolarHBondContact O-N 2.97Å; L233-D237 HydrophobicContact CB-CB 4.18Å; L233-D237 HydrophobicContact CD1-CB 4.38Å; L233-D237 HydrophobicContact CD2-CB 4.18Å; L233-D237 HydrophobicContact CG-CB 4.5Å; L233-L238 HydrophobicContact CB-CB 4.31Å; L233-K241 HydrophobicContact CD1-CB 4.34Å; L233-K241 HydrophobicContact CD1-CD 4.11Å; L233-V242 HydrophobicContact CD1-CG2 4.43Å
234K86.8Confident88.6Confident158 Ų15850.9 Ų50.969%0.68723%0.232SC*.  trans-73160.3167.3-63.5-178.5-179.2177.70110.1P236 D237 L238K234-P236 VanDerWaalsContact C-CD 3.48Å; K234-P236 HydrophobicContact CB-CG 4.43Å; K234-D237 PolarHBondContact O-N 2.82Å; K234-D237 VanDerWaalsContact O-N 3.09Å; K234-L238 WeakPolarHBondContact O-CB 3.39Å; K234-L238 PolarHBondContact O-N 2.93Å
235R85.6Confident88.4Confident127 Ų12751.6 Ų51.648%0.47924%0.241SC..Hα-helixtrans-47.2-46.1-179.6-164.7174.3-176.5-160.64.7115.7R239 F266R235-R239 PolarHBondContact O-N 2.9Å; R235-R239 VanDerWaalsContact O-N 3.16Å; R235-F266 PolarHBondContact NH2-O 3.42Å; R235-F266 VanDerWaalsContact NH2-O 3.13Å
236P88.1Confident88.1Confident87 Ų8755 Ų5557%0.56527%0.265SS*.Hα-helixtrans-65.1-44.1178.324.2-33.3000112.4K234 L238 R239 E240K234-P236 VanDerWaalsContact C-CD 3.48Å; K234-P236 HydrophobicContact CB-CG 4.43Å; P236-L238 PolarHBondContact O-N 3Å; P236-R239 WeakPolarHBondContact O-CB 3.35Å; P236-R239 PolarHBondContact O-N 2.69Å; P236-E240 PolarHBondContact O-N 3.49Å
237D89.2Confident87.8Confident64 Ų6458 Ų5834%0.34228%0.279SS..Hα-helixtrans-67.3-38.2-179.5-58.4-32000111.5L233 K234 R239 E240 K241L233-D237 HydrophobicContact CB-CB 4.18Å; L233-D237 HydrophobicContact CD1-CB 4.38Å; L233-D237 HydrophobicContact CD2-CB 4.18Å; L233-D237 HydrophobicContact CG-CB 4.5Å; K234-D237 PolarHBondContact O-N 2.82Å; K234-D237 VanDerWaalsContact O-N 3.09Å; D237-R239 VanDerWaalsContact C-N 3.29Å; D237-R239 PolarHBondContact O-N 3.46Å; D237-E240 PolarHBondContact O-N 3.24Å; D237-K241 WeakPolarHBondContact O-CB 3.37Å; D237-K241 WeakPolarHBondContact O-CG 3.49Å; D237-K241 PolarHBondContact O-N 3.17Å
238L88.7Confident87.6Confident9 Ų957.9 Ų57.95%0.04728%0.278CS..Hα-helixtrans-61.9-39.1175.6-172.370.4000111.2A229 M230 L233 K234 P236 V242 V243 L262A229-L238 HydrophobicContact CB-CD1 4.33Å; M230-L238 HydrophobicContact CG-CD1 4.39Å; L233-L238 HydrophobicContact CB-CB 4.31Å; K234-L238 WeakPolarHBondContact O-CB 3.39Å; K234-L238 PolarHBondContact O-N 2.93Å; P236-L238 PolarHBondContact O-N 3Å; L238-V242 HydrophobicContact CD1-CB 3.96Å; L238-V242 HydrophobicContact CD1-CG1 4.49Å; L238-V242 HydrophobicContact CD1-CG2 3.72Å; L238-V242 WeakPolarHBondContact O-CB 3.34Å; L238-V242 PolarHBondContact O-N 3.38Å; L238-V243 PolarHBondContact O-N 3.3Å; L238-V243 VanDerWaalsContact O-N 3.08Å; L238-L262 HydrophobicContact CD1-CD1 4.2Å; L238-L262 HydrophobicContact CD2-CD1 4.14Å; L238-L262 HydrophobicContact CG-CD1 4.32Å
239R88Confident87.4Confident121 Ų12161.7 Ų61.746%0.45730%0.296SS..Iπ-helixtrans-63-46.9177.4-171.4-176.1-177.2-177.71.3111.6R235 P236 D237 R244 F266R235-R239 PolarHBondContact O-N 2.9Å; R235-R239 VanDerWaalsContact O-N 3.16Å; P236-R239 WeakPolarHBondContact O-CB 3.35Å; P236-R239 PolarHBondContact O-N 2.69Å; D237-R239 VanDerWaalsContact C-N 3.29Å; D237-R239 PolarHBondContact O-N 3.46Å; R239-R244 WeakPolarHBondContact O-CB 3.41Å; R239-R244 WeakPolarHBondContact O-CG 3.45Å; R239-R244 PolarHBondContact O-N 3.26Å; R239-F266 HydrophobicContact CB-CE2 3.84Å; R239-F266 HydrophobicContact CB-CZ 4.24Å; R239-F266 HydrophobicContact CG-CE2 3.9Å; R239-F266 HydrophobicContact CG-CZ 3.77Å
240E89.1Confident87.1Confident138 Ų13868.6 Ų68.665%0.64533%0.328SS*.Iπ-helixtrans-72.7-47.5-175.6-171.5174.1-175.900111.7P236 D237P236-E240 PolarHBondContact O-N 3.49Å; D237-E240 PolarHBondContact O-N 3.24Å
241K86.6Confident86.9Confident101 Ų10169.4 Ų69.444%0.43933%0.333SS..Iπ-helixtrans-83.3-39.2-171.7-62.9-176.1-179.8-178.80113.9L204 L233 D237L204-K241 HydrophobicContact CD1-CB 4.3Å; L204-K241 HydrophobicContact CD1-CD 3.99Å; L204-K241 HydrophobicContact CD2-CB 4.43Å; L233-K241 HydrophobicContact CD1-CB 4.34Å; L233-K241 HydrophobicContact CD1-CD 4.11Å; D237-K241 WeakPolarHBondContact O-CB 3.37Å; D237-K241 WeakPolarHBondContact O-CG 3.49Å; D237-K241 PolarHBondContact O-N 3.17Å
242V85.8Confident86.6Confident0 Ų068.9 Ų68.90%033%0.331CS..Iπ-helixtrans-104.4-52.9-171.7-174.20000111L204 V226 A229 L233 L238 R244 G245 I248 L262L204-V242 HydrophobicContact CD2-CG2 3.91Å; V226-V242 HydrophobicContact CG2-CG1 4.17Å; A229-V242 HydrophobicContact CB-CG2 3.74Å; L233-V242 HydrophobicContact CD1-CG2 4.43Å; L238-V242 HydrophobicContact CD1-CB 3.96Å; L238-V242 HydrophobicContact CD1-CG1 4.49Å; L238-V242 HydrophobicContact CD1-CG2 3.72Å; L238-V242 WeakPolarHBondContact O-CB 3.34Å; L238-V242 PolarHBondContact O-N 3.38Å; V242-R244 PolarHBondContact O-N 3.4Å; V242-G245 PolarHBondContact O-N 3.38Å; V242-I248 HydrophobicContact CB-CD1 4.49Å; V242-I248 HydrophobicContact CG1-CD1 4.27Å; V242-I248 HydrophobicContact CG1-CG2 4.01Å; V242-L262 HydrophobicContact CG1-CD1 4.2Å; V242-L262 HydrophobicContact CG1-CD2 3.66Å
243V85.6Confident86.2Confident18 Ų1873.7 Ų73.711%0.10935%0.349CS..Iπ-helixtrans-70.1-36.1-174.5-179.50000111.4L238 Q249 L262 M263 F266L238-V243 PolarHBondContact O-N 3.3Å; L238-V243 VanDerWaalsContact O-N 3.08Å; V243-Q249 PolarHBondContact O-NE2 3.36Å; V243-L262 HydrophobicContact CG2-CD2 4.29Å; V243-L262 HydrophobicContact CG2-CG 4.49Å; V243-M263 HydrophobicContact CG1-CE 4.16Å; V243-F266 HydrophobicContact CG2-CD2 4.34Å
244R87.4Confident86Confident162 Ų16275.3 Ų75.361%0.61137%0.372SS*.SBendtrans-94.5-6.2178.2-73.9-178.6169.9178.4-3.7114.4R239 V242 S246R239-R244 WeakPolarHBondContact O-CB 3.41Å; R239-R244 WeakPolarHBondContact O-CG 3.45Å; R239-R244 PolarHBondContact O-N 3.26Å; V242-R244 PolarHBondContact O-N 3.4Å; R244-S246 PolarHBondContact O-N 2.87Å
245G84.9Confident85.9Confident20 Ų2069.9 Ų69.921%0.20635%0.351CS..  trans-69.3120.9178.100000110.8V242 Q249V242-G245 PolarHBondContact O-N 3.38Å; G245-Q249 WeakPolarHBondContact O-CG 3.29Å; G245-Q249 PolarHBondContact O-N 3.13Å; G245-Q249 VanDerWaalsContact O-N 3.09Å
246S85Confident85.9Confident72 Ų7268.2 Ų68.250%0.50336%0.356SS..Hα-helixtrans-62.3-45.7-175.346.90000112.6R244 I248 Q249 E250R244-S246 PolarHBondContact O-N 2.87Å; S246-I248 VanDerWaalsContact C-N 3.34Å; S246-I248 PolarHBondContact O-N 2.98Å; S246-Q249 PolarHBondContact O-N 3.15Å; S246-E250 WeakPolarHBondContact O-CG 3.45Å; S246-E250 PolarHBondContact O-N 3.19Å
247E83.6Confident85.7Confident63 Ų6367.9 Ų67.929%0.29435%0.352SS..Hα-helixtrans-62.8-41.5-177.4-64.9159.3-171.200112.2V207 A208 V251V207-E247 HydrophobicContact CG1-CB 3.95Å; V207-E247 VanDerWaalsContact CG1-OE2 3.32Å; V207-E247 WeakPolarHBondContact CG1-OE2 3.49Å; A208-E247 WeakPolarHBondContact CA-OE1 3.49Å; A208-E247 WeakPolarHBondContact CA-OE2 3.28Å; A208-E247 WeakPolarHBondContact CB-OE1 3.12Å; A208-E247 PolarHBondContact N-OE2 3.32Å; E247-V251 PolarHBondContact O-N 3.43Å
248I85.3Confident85.6Confident5 Ų565.5 Ų65.53%0.02634%0.34CS..Hα-helixtrans-66-47.4177.5-62.9175000108.8L204 V207 I222 V226 V242 S246 E250 V251 L252L204-I248 HydrophobicContact CD2-CD1 4.16Å; V207-I248 HydrophobicContact CG1-CG1 3.96Å; V207-I248 HydrophobicContact CG2-CD1 4.49Å; I222-I248 HydrophobicContact CG2-CG2 4.45Å; V226-I248 HydrophobicContact CG2-CG2 4.04Å; V242-I248 HydrophobicContact CB-CD1 4.49Å; V242-I248 HydrophobicContact CG1-CD1 4.27Å; V242-I248 HydrophobicContact CG1-CG2 4.01Å; S246-I248 VanDerWaalsContact C-N 3.34Å; S246-I248 PolarHBondContact O-N 2.98Å; I248-E250 PolarHBondContact O-N 3.43Å; I248-V251 PolarHBondContact O-N 3.31Å; I248-L252 HydrophobicContact CG2-CD1 3.62Å; I248-L252 HydrophobicContact CG2-CD2 4.21Å; I248-L252 WeakPolarHBondContact O-CB 3.39Å; I248-L252 WeakPolarHBondContact O-CD1 3.49Å; I248-L252 PolarHBondContact O-N 3.47Å
249Q85.9Confident85.6Confident81 Ų8170.3 Ų70.338%0.37936%0.358SS..Hα-helixtrans-58-46.1178.7-76-171.5-19.900112.7V243 G245 S246 V251 L252 H253V243-Q249 PolarHBondContact O-NE2 3.36Å; G245-Q249 WeakPolarHBondContact O-CG 3.29Å; G245-Q249 PolarHBondContact O-N 3.13Å; G245-Q249 VanDerWaalsContact O-N 3.09Å; S246-Q249 PolarHBondContact O-N 3.15Å; Q249-V251 VanDerWaalsContact C-N 3.3Å; Q249-V251 PolarHBondContact O-N 2.59Å; Q249-L252 PolarHBondContact O-N 3.01Å; Q249-L252 VanDerWaalsContact O-N 3.17Å; Q249-H253 PolarHBondContact O-CD2 3.42Å; Q249-H253 PolarHBondContact O-N 2.91Å; Q249-H253 VanDerWaalsContact O-N 3.15Å
250E85.8Confident85.7Confident145 Ų14569 Ų6968%0.67836%0.357SS*.Hα-helixtrans-55.2-44.5180-76.3178.8-16400112S246 I248S246-E250 WeakPolarHBondContact O-CG 3.45Å; S246-E250 PolarHBondContact O-N 3.19Å; I248-E250 PolarHBondContact O-N 3.43Å
251V84.6Confident85.7Confident22 Ų2262.4 Ų62.413%0.13333%0.326CS..Hα-helixtrans-79.6-30.4179.1-178.80000112.6Y218 K219 I222 E247 I248 Q249 H253 G254 L255Y218-V251 HydrophobicContact CD1-CG2 3.9Å; Y218-V251 HydrophobicContact CE1-CG2 3.49Å; Y218-V251 VanDerWaalsContact CE1-CG2 3.49Å; K219-V251 HydrophobicContact CG-CG1 4.22Å; I222-V251 HydrophobicContact CB-CG1 4.34Å; I222-V251 HydrophobicContact CD1-CB 3.41Å; I222-V251 VanDerWaalsContact CD1-CB 3.41Å; I222-V251 HydrophobicContact CD1-CG1 3.75Å; I222-V251 HydrophobicContact CD1-CG2 3.34Å; I222-V251 HydrophobicContact CG2-CB 4.41Å; I222-V251 HydrophobicContact CG2-CG1 4.35Å; E247-V251 PolarHBondContact O-N 3.43Å; I248-V251 PolarHBondContact O-N 3.31Å; Q249-V251 VanDerWaalsContact C-N 3.3Å; Q249-V251 PolarHBondContact O-N 2.59Å; V251-H253 PolarHBondContact O-N 3.45Å; V251-G254 PolarHBondContact O-N 3.15Å; V251-L255 PolarHBondContact O-N 3.17Å
252L83.7Confident85.9Confident6 Ų657.7 Ų57.73%0.03131%0.306CS..Hα-helixtrans-61.6-26.8174.6-100.762.6000112.5I222 V226 I248 Q249 G254 L255 R259 L262I222-L252 HydrophobicContact CG2-CD1 3.7Å; V226-L252 HydrophobicContact CG2-CD1 4.09Å; I248-L252 HydrophobicContact CG2-CD1 3.62Å; I248-L252 HydrophobicContact CG2-CD2 4.21Å; I248-L252 WeakPolarHBondContact O-CB 3.39Å; I248-L252 WeakPolarHBondContact O-CD1 3.49Å; I248-L252 PolarHBondContact O-N 3.47Å; Q249-L252 PolarHBondContact O-N 3.01Å; Q249-L252 VanDerWaalsContact O-N 3.17Å; L252-G254 PolarHBondContact O-N 3.32Å; L252-L255 CarbonylContact O-C 3.4Å; L252-L255 PolarHBondContact O-N 3.34Å; L252-R259 HydrophobicContact CB-CB 4.27Å; L252-R259 HydrophobicContact CD2-CB 4.36Å; L252-R259 HydrophobicContact CG-CB 4.27Å; L252-L262 HydrophobicContact CD2-CD2 3.81Å
253H82Confident86Confident123 Ų12359.6 Ų59.657%0.56932%0.315SS*.THydrogen-bonded Turntrans-62.6-30.8171.4-75.2-71.7000112.9Q249 V251 R259Q249-H253 PolarHBondContact O-CD2 3.42Å; Q249-H253 PolarHBondContact O-N 2.91Å; Q249-H253 VanDerWaalsContact O-N 3.15Å; V251-H253 PolarHBondContact O-N 3.45Å; H253-R259 PolarHBondContact ND1-NH1 3.19Å
254G85.2Confident86.3Confident60 Ų6058.8 Ų58.862%0.61931%0.31SS*.THydrogen-bonded Turntrans-80.1-15175.700000114.5V251 L252V251-G254 PolarHBondContact O-N 3.15Å; L252-G254 PolarHBondContact O-N 3.32Å
255L84.3Confident86.4Confident44 Ų4451.5 Ų51.523%0.2328%0.283CS..  trans-127.484.3-174.5-65.3176.2000111K219 I223 V251 L252 T257 V258 R259K219-L255 HydrophobicContact CB-CD1 4.43Å; I223-L255 HydrophobicContact CD1-CD1 3.76Å; I223-L255 HydrophobicContact CG1-CD1 3.69Å; V251-L255 PolarHBondContact O-N 3.17Å; L252-L255 CarbonylContact O-C 3.4Å; L252-L255 PolarHBondContact O-N 3.34Å; L255-T257 VanDerWaalsContact C-N 3.34Å; L255-T257 PolarHBondContact O-N 3.39Å; L255-V258 PolarHBondContact O-N 3.2Å; L255-R259 PolarHBondContact O-N 2.92Å
256P84.1Confident86.5Confident92 Ų9252.6 Ų52.660%0.59728%0.282SS*.Hα-helixtrans-62.4-37.4-172.523.5-33.2000113.2V258 R259 E260P256-V258 PolarHBondContact O-N 3.04Å; P256-R259 PolarHBondContact O-N 3.42Å; P256-E260 WeakPolarHBondContact O-CB 3.31Å; P256-E260 PolarHBondContact O-N 3.29Å
257T85.1Confident86.7Confident79 Ų7953.2 Ų53.249%0.48528%0.28SS..Hα-helixtrans-61.9-41.7-178-48.10000112.8L255 Y261L255-T257 VanDerWaalsContact C-N 3.34Å; L255-T257 PolarHBondContact O-N 3.39Å; T257-Y261 VanDerWaalsContact O-CB 3.31Å; T257-Y261 WeakPolarHBondContact O-CB 3.27Å; T257-Y261 PolarHBondContact O-N 3.07Å
258V86.3Confident87Confident14 Ų1452.5 Ų52.59%0.08528%0.282CS..Hα-helixtrans-75.5-35.8-179.3178.80000110.9I223 V226 L255 P256 Y261 L262I223-V258 HydrophobicContact CG1-CG2 4.15Å; I223-V258 HydrophobicContact CG2-CG2 4.45Å; V226-V258 HydrophobicContact CB-CG1 4.08Å; V226-V258 HydrophobicContact CG1-CG1 3.81Å; V226-V258 HydrophobicContact CG2-CG1 4.35Å; L255-V258 PolarHBondContact O-N 3.2Å; P256-V258 PolarHBondContact O-N 3.04Å; V258-Y261 PolarHBondContact O-N 3.35Å; V258-L262 WeakPolarHBondContact O-CB 3.47Å; V258-L262 PolarHBondContact O-N 3.46Å
259R88.5Confident87.3Confident110 Ų11057.5 Ų57.542%0.41530%0.3SS..Hα-helixtrans-62.9-46.7173.6-179.3-179.2173-166.8-2.3111.3L252 H253 L255 P256 Y261 L262 M263L252-R259 HydrophobicContact CB-CB 4.27Å; L252-R259 HydrophobicContact CD2-CB 4.36Å; L252-R259 HydrophobicContact CG-CB 4.27Å; H253-R259 PolarHBondContact ND1-NH1 3.19Å; L255-R259 PolarHBondContact O-N 2.92Å; P256-R259 PolarHBondContact O-N 3.42Å; R259-Y261 VanDerWaalsContact C-N 3.33Å; R259-L262 PolarHBondContact O-N 3.37Å; R259-M263 HydrophobicContact CG-CG 4.21Å; R259-M263 VanDerWaalsContact O-CB 3.32Å; R259-M263 WeakPolarHBondContact O-CB 2.91Å; R259-M263 VanDerWaalsContact O-CG 3.23Å; R259-M263 WeakPolarHBondContact O-CG 3.33Å; R259-M263 PolarHBondContact O-N 3.44Å
260E90.2Very high87.5Confident94 Ų9454.2 Ų54.244%0.43928%0.284SS..Hα-helixtrans-63.4-41177.5-171.3169.5-164.700111.1P256 L262 M263 S264P256-E260 WeakPolarHBondContact O-CB 3.31Å; P256-E260 PolarHBondContact O-N 3.29Å; E260-L262 PolarHBondContact O-N 3.2Å; E260-M263 PolarHBondContact O-N 3.48Å; E260-S264 WeakPolarHBondContact O-CB 3.44Å; E260-S264 PolarHBondContact O-N 2.89Å; E260-S264 PolarHBondContact O-OG 2.76Å
261Y90.6Very high87.7Confident0 Ų049.3 Ų49.30%027%0.268CS..Hα-helixtrans-59.3-45.2174.1179.9-121.8000113.2M227 M230 T257 V258 R259 S264 F273 L277 V280 Y297 M301M227-Y261 HydrophobicContact CE-CE1 4.12Å; M227-Y261 HydrophobicContact SD-CD1 4.01Å; M227-Y261 HydrophobicContact SD-CE1 3.58Å; M227-Y261 VanDerWaalsContact SD-CE1 3.58Å; M230-Y261 HydrophobicContact CE-CD1 3.62Å; M230-Y261 HydrophobicContact CE-CD2 4.28Å; M230-Y261 HydrophobicContact CE-CE1 3.28Å; M230-Y261 HydrophobicContact CE-CE2 3.98Å; M230-Y261 HydrophobicContact CE-CG 4.11Å; M230-Y261 VanDerWaalsContact CE-CZ 3.45Å; M230-Y261 HydrophobicContact SD-CD1 3.38Å; M230-Y261 WeakPolarHBondContact SD-CD1 3.28Å; M230-Y261 HydrophobicContact SD-CE1 3.15Å; M230-Y261 WeakPolarHBondContact SD-CE1 3.28Å; M230-Y261 HydrophobicContact SD-CG 4.36Å; T257-Y261 VanDerWaalsContact O-CB 3.31Å; T257-Y261 WeakPolarHBondContact O-CB 3.27Å; T257-Y261 PolarHBondContact O-N 3.07Å; V258-Y261 PolarHBondContact O-N 3.35Å; R259-Y261 VanDerWaalsContact C-N 3.33Å; Y261-S264 PolarHBondContact O-OG 3.33Å; Y261-F273 HydrophobicContact CD2-CD2 4.03Å; Y261-F273 AromaticContact CD2-CE2 3.87Å; Y261-F273 HydrophobicContact CD2-CE2 3.87Å; Y261-F273 AromaticContact CE2-CD2 3.94Å; Y261-F273 HydrophobicContact CE2-CD2 3.94Å; Y261-F273 AromaticContact CE2-CE2 3.32Å; Y261-F273 HydrophobicContact CE2-CE2 3.32Å; Y261-F273 AromaticContact CE2-CZ 3.96Å; Y261-F273 HydrophobicContact CE2-CZ 3.96Å; Y261-L277 HydrophobicContact CE2-CB 4.23Å; Y261-L277 HydrophobicContact CE2-CD1 3.92Å; Y261-V280 HydrophobicContact CD1-CG2 4.11Å; Y261-V280 HydrophobicContact CD2-CG2 4.28Å; Y261-V280 HydrophobicContact CE1-CG2 4.45Å; Y261-V280 HydrophobicContact CG-CG2 4.02Å; Y261-Y297 WeakPolarHBondContact OH-CE1 3.44Å; Y261-Y297 PolarHBondContact OH-OH 3.09Å; Y261-M301 WeakPolarHBondContact OH-CE 3.32Å; Y261-M301 WeakPolarHBondContact OH-CG 3.32Å
262L89.2Confident88.1Confident1 Ų150.5 Ų50.51%0.00527%0.274CS..Hα-helixtrans-69.4-46.8178.3-179.567.9000112V226 M230 L238 V242 V243 L252 V258 R259 E260 F266V226-L262 HydrophobicContact CG1-CB 4.39Å; V226-L262 HydrophobicContact CG1-CD1 4.33Å; M230-L262 HydrophobicContact CG-CD1 3.92Å; M230-L262 HydrophobicContact SD-CB 4.42Å; M230-L262 HydrophobicContact SD-CD1 3.95Å; L238-L262 HydrophobicContact CD1-CD1 4.2Å; L238-L262 HydrophobicContact CD2-CD1 4.14Å; L238-L262 HydrophobicContact CG-CD1 4.32Å; V242-L262 HydrophobicContact CG1-CD1 4.2Å; V242-L262 HydrophobicContact CG1-CD2 3.66Å; V243-L262 HydrophobicContact CG2-CD2 4.29Å; V243-L262 HydrophobicContact CG2-CG 4.49Å; L252-L262 HydrophobicContact CD2-CD2 3.81Å; V258-L262 WeakPolarHBondContact O-CB 3.47Å; V258-L262 PolarHBondContact O-N 3.46Å; R259-L262 PolarHBondContact O-N 3.37Å; E260-L262 PolarHBondContact O-N 3.2Å; L262-F266 PolarHBondContact O-N 3.4Å
263M89.6Confident88.5Confident41 Ų4150.2 Ų50.220%0.20227%0.273CS..Hα-helixtrans-72.2-36.6-175.5-66.7-67.1172.100112.1V243 R259 E260 L265 F266 D267V243-M263 HydrophobicContact CG1-CE 4.16Å; R259-M263 HydrophobicContact CG-CG 4.21Å; R259-M263 VanDerWaalsContact O-CB 3.32Å; R259-M263 WeakPolarHBondContact O-CB 2.91Å; R259-M263 VanDerWaalsContact O-CG 3.23Å; R259-M263 WeakPolarHBondContact O-CG 3.33Å; R259-M263 PolarHBondContact O-N 3.44Å; E260-M263 PolarHBondContact O-N 3.48Å; M263-L265 VanDerWaalsContact C-N 3.32Å; M263-L265 PolarHBondContact O-N 3.22Å; M263-F266 PolarHBondContact O-N 3.16Å; M263-F266 VanDerWaalsContact O-N 3.14Å; M263-D267 VanDerWaalsContact O-CB 3.28Å; M263-D267 WeakPolarHBondContact O-CB 3.36Å; M263-D267 VanDerWaalsContact O-CG 3.3Å; M263-D267 PolarHBondContact O-N 3.14Å
264S91Very high88.9Confident0 Ų046 Ų460%025%0.253CS..Hα-helixtrans-59.6-41.5176.355.60000112.1E260 Y261 C268 R269 F273E260-S264 WeakPolarHBondContact O-CB 3.44Å; E260-S264 PolarHBondContact O-N 2.89Å; E260-S264 PolarHBondContact O-OG 2.76Å; Y261-S264 PolarHBondContact O-OG 3.33Å; S264-C268 PolarHBondContact O-N 3.4Å; S264-R269 PolarHBondContact O-N 2.91Å; S264-F273 WeakPolarHBondContact OG-CA 3.43Å
265L89.2Confident89.2Confident9 Ų949.4 Ų49.45%0.04726%0.256CS..Hα-helixtrans-67.2-39.2174.7-173.364.7000112.2M230 M263 F273 M301 A305 Q308M230-L265 HydrophobicContact CE-CB 4.18Å; M230-L265 HydrophobicContact CE-CD2 3.58Å; M263-L265 VanDerWaalsContact C-N 3.32Å; M263-L265 PolarHBondContact O-N 3.22Å; L265-F273 HydrophobicContact CB-CD2 3.86Å; L265-F273 HydrophobicContact CB-CE2 3.97Å; L265-F273 HydrophobicContact CD1-CD2 4.21Å; L265-F273 HydrophobicContact CD1-CE2 3.96Å; L265-F273 HydrophobicContact CD1-CZ 4.2Å; L265-F273 HydrophobicContact CD2-CE2 4.28Å; L265-F273 HydrophobicContact CG-CE2 4.29Å; L265-M301 HydrophobicContact CD2-CE 3.82Å; L265-A305 HydrophobicContact CD1-CB 4.26Å; L265-Q308 PolarHBondContact O-NE2 3.1Å; L265-Q308 VanDerWaalsContact O-NE2 3.07Å
266F87.7Confident89.5Confident43 Ų4347.7 Ų47.719%0.18925%0.248CC..Hα-helixtrans-72.3-43.8-177.5-170.9-97.7000113.2R235 R239 V243 L262 M263 C268R235-F266 PolarHBondContact NH2-O 3.42Å; R235-F266 VanDerWaalsContact NH2-O 3.13Å; R239-F266 HydrophobicContact CB-CE2 3.84Å; R239-F266 HydrophobicContact CB-CZ 4.24Å; R239-F266 HydrophobicContact CG-CE2 3.9Å; R239-F266 HydrophobicContact CG-CZ 3.77Å; V243-F266 HydrophobicContact CG2-CD2 4.34Å; L262-F266 PolarHBondContact O-N 3.4Å; M263-F266 PolarHBondContact O-N 3.16Å; M263-F266 VanDerWaalsContact O-N 3.14Å; F266-C268 PolarHBondContact O-N 2.99Å
267D89.9Confident89.9Confident85 Ų8543.5 Ų43.546%0.45522%0.22SC..THydrogen-bonded Turntrans-76.5-2.3178.7-65.3-22000112.9M263 R269M263-D267 VanDerWaalsContact O-CB 3.28Å; M263-D267 WeakPolarHBondContact O-CB 3.36Å; M263-D267 VanDerWaalsContact O-CG 3.3Å; M263-D267 PolarHBondContact O-N 3.14Å; D267-R269 VanDerWaalsContact C-N 3.3Å; D267-R269 HydrophobicContact CB-CG 4.42Å; D267-R269 PolarHBondContact O-N 2.81Å; D267-R269 IonicContact OD2-CZ 3.54Å; D267-R269 IonicContact OD2-NE 3.95Å; D267-R269 IonicContact OD2-NH2 3.77Å; D267-R269 PolarHBondContact OD2-NH2 3.36Å; D267-R269 VanDerWaalsContact OD2-NH2 3.14Å
268C88.4Confident90.1Very high49 Ų4941.9 Ų41.933%0.33122%0.215SC..THydrogen-bonded Turntrans60.931.4-175.2-55.80000114.2S264 F266 Y270 Q308S264-C268 PolarHBondContact O-N 3.4Å; F266-C268 PolarHBondContact O-N 2.99Å; C268-Y270 HydrophobicContact CB-CE2 4.01Å; C268-Y270 WeakPolarHBondContact O-CD2 3.43Å; C268-Y270 WeakPolarHBondContact O-CE2 3.36Å; C268-Y270 PolarHBondContact O-N 3.14Å; C268-Q308 PolarHBondContact SG-NE2 3.22Å; C268-Q308 VanDerWaalsContact SG-NE2 3.36Å
269R91.5Very high90.2Very high110 Ų11042.6 Ų42.642%0.41523%0.225SC..  trans-90.383.8172.6-72.2-173.9-73.9144.4-8.5110.3S264 D267 A271 D272 F273S264-R269 PolarHBondContact O-N 2.91Å; D267-R269 VanDerWaalsContact C-N 3.3Å; D267-R269 HydrophobicContact CB-CG 4.42Å; D267-R269 PolarHBondContact O-N 2.81Å; D267-R269 IonicContact OD2-CZ 3.54Å; D267-R269 IonicContact OD2-NE 3.95Å; D267-R269 IonicContact OD2-NH2 3.77Å; D267-R269 PolarHBondContact OD2-NH2 3.36Å; D267-R269 VanDerWaalsContact OD2-NH2 3.14Å; R269-A271 PolarHBondContact O-N 3.43Å; R269-D272 HydrophobicContact CB-CB 4.46Å; R269-D272 IonicContact CZ-OD2 3.7Å; R269-D272 IonicContact NE-OD2 3.52Å; R269-D272 IonicContact NH1-OD2 2.77Å; R269-D272 PolarHBondContact NH1-OD2 3.45Å; R269-F273 PolarHBondContact O-N 2.83Å; R269-F273 VanDerWaalsContact O-N 3.17Å
270Y91.2Very high90.1Very high12 Ų1237.7 Ų37.75%0.04721%0.207CC..Hα-helixtrans-73.3-28.2-169.5-56.9-73.7000115.1C268 F273 F274 A305 H309 F325C268-Y270 HydrophobicContact CB-CE2 4.01Å; C268-Y270 WeakPolarHBondContact O-CD2 3.43Å; C268-Y270 WeakPolarHBondContact O-CE2 3.36Å; C268-Y270 PolarHBondContact O-N 3.14Å; Y270-F273 WeakPolarHBondContact O-CB 3.15Å; Y270-F273 PolarHBondContact O-N 3.39Å; Y270-F274 PolarHBondContact O-N 3.45Å; Y270-F274 VanDerWaalsContact O-N 3.1Å; Y270-A305 HydrophobicContact CD1-CB 4.39Å; Y270-H309 HydrophobicContact CE1-CB 4.41Å; Y270-H309 HydrophobicContact CE2-CB 4.14Å; Y270-H309 AromaticContact CE2-ND1 3.33Å; Y270-H309 VanDerWaalsContact CE2-ND1 3.33Å; Y270-H309 WeakPolarHBondContact CE2-ND1 3.25Å; Y270-H309 AromaticContact CZ-ND1 3.86Å; Y270-H309 WeakPolarHBondContact OH-CA 3.36Å; Y270-H309 PolarHBondContact OH-N 3.37Å; Y270-F325 HydrophobicContact CD1-CD1 4.23Å; Y270-F325 AromaticContact CD1-CE1 3.53Å; Y270-F325 HydrophobicContact CD1-CE1 3.53Å; Y270-F325 HydrophobicContact CD1-CZ 4.03Å; Y270-F325 HydrophobicContact CD2-CE1 4.35Å; Y270-F325 HydrophobicContact CD2-CZ 4.4Å; Y270-F325 HydrophobicContact CE1-CE1 4.27Å; Y270-F325 HydrophobicContact CE1-CZ 4.38Å; Y270-F325 AromaticContact CG-CD1 3.88Å; Y270-F325 HydrophobicContact CG-CD1 3.88Å; Y270-F325 AromaticContact CG-CE1 3.56Å; Y270-F325 HydrophobicContact CG-CE1 3.56Å; Y270-F325 HydrophobicContact CG-CZ 4.02Å
271A90.4Very high90Very high41 Ų4136.4 Ų36.434%0.33920%0.201SC..Hα-helixtrans-62.6-50.2174.600000111.6R269 F273 F274 L275 S324R269-A271 PolarHBondContact O-N 3.43Å; A271-F273 VanDerWaalsContact C-N 3.26Å; A271-F273 PolarHBondContact O-N 3.13Å; A271-F274 PolarHBondContact O-N 2.9Å; A271-L275 PolarHBondContact O-N 3.39Å; A271-S324 PolarHBondContact N-O 3.17Å
272D91.7Very high89.8Confident48 Ų4842.9 Ų42.926%0.25723%0.232SC..Hα-helixtrans-62.6-36176.4-59.4-16.7000111.4R269 L275 S276R269-D272 HydrophobicContact CB-CB 4.46Å; R269-D272 IonicContact CZ-OD2 3.7Å; R269-D272 IonicContact NE-OD2 3.52Å; R269-D272 IonicContact NH1-OD2 2.77Å; R269-D272 PolarHBondContact NH1-OD2 3.45Å; D272-L275 PolarHBondContact O-N 3.13Å; D272-S276 WeakPolarHBondContact O-CB 3.12Å; D272-S276 PolarHBondContact O-N 3.37Å; D272-S276 PolarHBondContact O-OG 3.49Å
273F92.5Very high89.5Confident0 Ų046.1 Ų46.10%025%0.246CC..Hα-helixtrans-61.8-44.2177.2174.7-100.5000112.1M230 Y261 S264 L265 R269 Y270 A271 L275 S276 L277 M301 A305M230-F273 HydrophobicContact CE-CE2 4.24Å; Y261-F273 HydrophobicContact CD2-CD2 4.03Å; Y261-F273 AromaticContact CD2-CE2 3.87Å; Y261-F273 HydrophobicContact CD2-CE2 3.87Å; Y261-F273 AromaticContact CE2-CD2 3.94Å; Y261-F273 HydrophobicContact CE2-CD2 3.94Å; Y261-F273 AromaticContact CE2-CE2 3.32Å; Y261-F273 HydrophobicContact CE2-CE2 3.32Å; Y261-F273 AromaticContact CE2-CZ 3.96Å; Y261-F273 HydrophobicContact CE2-CZ 3.96Å; S264-F273 WeakPolarHBondContact OG-CA 3.43Å; L265-F273 HydrophobicContact CB-CD2 3.86Å; L265-F273 HydrophobicContact CB-CE2 3.97Å; L265-F273 HydrophobicContact CD1-CD2 4.21Å; L265-F273 HydrophobicContact CD1-CE2 3.96Å; L265-F273 HydrophobicContact CD1-CZ 4.2Å; L265-F273 HydrophobicContact CD2-CE2 4.28Å; L265-F273 HydrophobicContact CG-CE2 4.29Å; R269-F273 PolarHBondContact O-N 2.83Å; R269-F273 VanDerWaalsContact O-N 3.17Å; Y270-F273 WeakPolarHBondContact O-CB 3.15Å; Y270-F273 PolarHBondContact O-N 3.39Å; A271-F273 VanDerWaalsContact C-N 3.26Å; A271-F273 PolarHBondContact O-N 3.13Å; F273-L275 PolarHBondContact O-N 3.45Å; F273-S276 PolarHBondContact O-N 3.02Å; F273-L277 HydrophobicContact CE1-CD2 4.17Å; F273-L277 WeakPolarHBondContact O-CB 3.38Å; F273-L277 PolarHBondContact O-N 3.42Å; F273-M301 HydrophobicContact CE2-CE 4Å; F273-M301 HydrophobicContact CZ-CB 4.31Å; F273-M301 HydrophobicContact CZ-CE 3.74Å; F273-A305 HydrophobicContact CD1-CB 4.1Å; F273-A305 HydrophobicContact CE1-CB 3.68Å; F273-A305 HydrophobicContact CZ-CB 4.36Å
274F90.6Very high89.2Confident34 Ų3444.2 Ų44.215%0.14924%0.236CC..Hα-helixtrans-64.8-38.6178.1-93.6-62.6000112.6Y270 A271 L277 A278 R302 F325 V327Y270-F274 PolarHBondContact O-N 3.45Å; Y270-F274 VanDerWaalsContact O-N 3.1Å; A271-F274 PolarHBondContact O-N 2.9Å; F274-L277 HydrophobicContact CD1-CD2 4.41Å; F274-L277 PolarHBondContact O-N 3.31Å; F274-A278 PolarHBondContact O-N 3.02Å; F274-A278 VanDerWaalsContact O-N 3.16Å; F274-R302 HydrophobicContact CE1-CG 3.98Å; F274-R302 HydrophobicContact CZ-CG 4.47Å; F274-F325 HydrophobicContact CD2-CB 4.15Å; F274-F325 AromaticContact CD2-CD1 3.81Å; F274-F325 HydrophobicContact CD2-CD1 3.81Å; F274-F325 HydrophobicContact CD2-CG 4.45Å; F274-F325 HydrophobicContact CE2-CB 3.85Å; F274-F325 AromaticContact CE2-CD1 3.26Å; F274-F325 HydrophobicContact CE2-CD1 3.26Å; F274-F325 HydrophobicContact CE2-CE1 4.11Å; F274-F325 AromaticContact CE2-CG 3.87Å; F274-F325 HydrophobicContact CE2-CG 3.87Å; F274-F325 HydrophobicContact CZ-CD1 4.3Å; F274-V327 HydrophobicContact CD2-CG1 4.41Å; F274-V327 HydrophobicContact CE2-CG1 4.34Å
275L91.2Very high88.8Confident132 Ų13245.4 Ų45.469%0.69125%0.245SC*.Hα-helixtrans-64.3-46.3174.4-66.2174.9000111.3A271 D272 F273 L277 A278 G279A271-L275 PolarHBondContact O-N 3.39Å; D272-L275 PolarHBondContact O-N 3.13Å; F273-L275 PolarHBondContact O-N 3.45Å; L275-L277 VanDerWaalsContact C-N 3.34Å; L275-L277 PolarHBondContact O-N 2.98Å; L275-A278 PolarHBondContact O-N 3.27Å; L275-G279 PolarHBondContact O-N 3.29Å
276S90.7Very high88.2Confident8 Ų846.9 Ų46.96%0.05626%0.255CS..Hα-helixtrans-63.4-40.5177.7-59.70000111.7D272 F273 A278 G279 V280D272-S276 WeakPolarHBondContact O-CB 3.12Å; D272-S276 PolarHBondContact O-N 3.37Å; D272-S276 PolarHBondContact O-OG 3.49Å; F273-S276 PolarHBondContact O-N 3.02Å; S276-A278 VanDerWaalsContact C-N 3.29Å; S276-A278 PolarHBondContact O-N 2.89Å; S276-G279 PolarHBondContact O-N 3.36Å; S276-G279 VanDerWaalsContact O-N 3.15Å; S276-V280 WeakPolarHBondContact O-CG2 3.42Å; S276-V280 PolarHBondContact O-N 2.93Å
277L91.8Very high87.9Confident3 Ų344.8 Ų44.82%0.01625%0.246CC..Hα-helixtrans-61-37.6177.5-177.964000111.7Y261 F273 F274 L275 V280 E281 V298 M301 R302Y261-L277 HydrophobicContact CE2-CB 4.23Å; Y261-L277 HydrophobicContact CE2-CD1 3.92Å; F273-L277 HydrophobicContact CE1-CD2 4.17Å; F273-L277 WeakPolarHBondContact O-CB 3.38Å; F273-L277 PolarHBondContact O-N 3.42Å; F274-L277 HydrophobicContact CD1-CD2 4.41Å; F274-L277 PolarHBondContact O-N 3.31Å; L275-L277 VanDerWaalsContact C-N 3.34Å; L275-L277 PolarHBondContact O-N 2.98Å; L277-V280 PolarHBondContact O-N 2.63Å; L277-E281 WeakPolarHBondContact O-CB 3.3Å; L277-E281 PolarHBondContact O-N 3.17Å; L277-V298 HydrophobicContact CD2-CG1 4.32Å; L277-M301 HydrophobicContact CD1-CB 4.14Å; L277-M301 HydrophobicContact CD1-CG 4.48Å; L277-R302 HydrophobicContact CD2-CG 4.17Å
278A89.9Confident87.4Confident45 Ų4543 Ų4337%0.37223%0.233SC..Hα-helixtrans-65.4-40.4175.100000112.2F274 L275 S276 V280 E281 Q282F274-A278 PolarHBondContact O-N 3.02Å; F274-A278 VanDerWaalsContact O-N 3.16Å; L275-A278 PolarHBondContact O-N 3.27Å; S276-A278 VanDerWaalsContact C-N 3.29Å; S276-A278 PolarHBondContact O-N 2.89Å; A278-V280 VanDerWaalsContact C-N 3.33Å; A278-E281 PolarHBondContact O-N 3.39Å; A278-Q282 WeakPolarHBondContact O-CG 3.43Å; A278-Q282 PolarHBondContact O-N 2.91Å
279G88Confident87.1Confident29 Ų2942.3 Ų42.330%0.29922%0.224SC..Hα-helixtrans-63.9-39.8174.500000112.5L275 S276 Q282 F283L275-G279 PolarHBondContact O-N 3.29Å; S276-G279 PolarHBondContact O-N 3.36Å; S276-G279 VanDerWaalsContact O-N 3.15Å; G279-Q282 PolarHBondContact O-N 3.14Å; G279-F283 PolarHBondContact O-N 3.24Å
280V87.7Confident86.6Confident8 Ų837.2 Ų37.25%0.04821%0.205CC..Hα-helixtrans-68.3-39.5176.5169.30000112.2M227 Y261 S276 L277 A278 Q282 F283 M284M227-V280 HydrophobicContact CE-CB 4.46Å; M227-V280 HydrophobicContact CE-CG1 3.03Å; M227-V280 HydrophobicContact SD-CG1 3.72Å; Y261-V280 HydrophobicContact CD1-CG2 4.11Å; Y261-V280 HydrophobicContact CD2-CG2 4.28Å; Y261-V280 HydrophobicContact CE1-CG2 4.45Å; Y261-V280 HydrophobicContact CG-CG2 4.02Å; S276-V280 WeakPolarHBondContact O-CG2 3.42Å; S276-V280 PolarHBondContact O-N 2.93Å; L277-V280 PolarHBondContact O-N 2.63Å; A278-V280 VanDerWaalsContact C-N 3.33Å; V280-Q282 VanDerWaalsContact C-N 3.29Å; V280-Q282 PolarHBondContact O-N 3.37Å; V280-F283 WeakPolarHBondContact O-CB 3.21Å; V280-F283 PolarHBondContact O-N 3.47Å; V280-F283 VanDerWaalsContact O-N 3.15Å; V280-M284 HydrophobicContact CG1-CG 4.5Å; V280-M284 HydrophobicContact CG1-SD 4.33Å; V280-M284 WeakPolarHBondContact O-CG 3.5Å; V280-M284 PolarHBondContact O-N 3.34Å
281E88.1Confident86.2Confident67 Ų6739.5 Ų39.531%0.31322%0.216SC..Hα-helixtrans-58.9-40.7175.1179.7176.8-179.200111.7L277 A278 M284 S285 T294 V298L277-E281 WeakPolarHBondContact O-CB 3.3Å; L277-E281 PolarHBondContact O-N 3.17Å; A278-E281 PolarHBondContact O-N 3.39Å; E281-M284 PolarHBondContact O-N 3.48Å; E281-S285 WeakPolarHBondContact O-CB 3.37Å; E281-S285 PolarHBondContact O-N 3.33Å; E281-S285 PolarHBondContact O-OG 3.37Å; E281-T294 HydrophobicContact CG-CG2 3.72Å; E281-V298 HydrophobicContact CB-CG2 3.99Å; E281-V298 HydrophobicContact CG-CG2 3.86Å
282Q85.6Confident85.8Confident136 Ų13642.9 Ų42.964%0.63623%0.228SC*.Hα-helixtrans-64-44.2174.8-68.7176.45.200111.3A278 G279 V280 M284 S285 C286A278-Q282 WeakPolarHBondContact O-CG 3.43Å; A278-Q282 PolarHBondContact O-N 2.91Å; G279-Q282 PolarHBondContact O-N 3.14Å; V280-Q282 VanDerWaalsContact C-N 3.29Å; V280-Q282 PolarHBondContact O-N 3.37Å; Q282-M284 PolarHBondContact O-N 2.97Å; Q282-S285 PolarHBondContact O-N 3.49Å; Q282-C286 PolarHBondContact O-N 2.79Å; Q282-C286 PolarHBondContact O-SG 3.47Å
283F83.8Confident85.6Confident69 Ų6941 Ų4130%0.30322%0.217SC..Hα-helixtrans-59.8-46.4176.5-179.5-94.2000112I223 Y224 G279 V280 C286 D287I223-F283 HydrophobicContact CD1-CZ 4.4Å; I223-F283 HydrophobicContact CG2-CE1 3.98Å; I223-F283 HydrophobicContact CG2-CZ 4.44Å; Y224-F283 HydrophobicContact CE1-CE1 4.44Å; G279-F283 PolarHBondContact O-N 3.24Å; V280-F283 WeakPolarHBondContact O-CB 3.21Å; V280-F283 PolarHBondContact O-N 3.47Å; V280-F283 VanDerWaalsContact O-N 3.15Å; F283-C286 PolarHBondContact O-N 3.1Å; F283-D287 PolarHBondContact O-N 3.28Å
284M83.5Confident85.3Confident0 Ų041.3 Ų41.30%022%0.219CC..Hα-helixtrans-63.6-40.2177.9-73.8-176.5147.200113M227 V280 E281 Q282 C286 D287 L290 H291 T294 Y297M227-M284 HydrophobicContact CE-CE 3.1Å; M227-M284 HydrophobicContact CE-SD 3.98Å; V280-M284 HydrophobicContact CG1-CG 4.5Å; V280-M284 HydrophobicContact CG1-SD 4.33Å; V280-M284 WeakPolarHBondContact O-CG 3.5Å; V280-M284 PolarHBondContact O-N 3.34Å; E281-M284 PolarHBondContact O-N 3.48Å; Q282-M284 PolarHBondContact O-N 2.97Å; M284-C286 PolarHBondContact O-N 3.16Å; M284-D287 PolarHBondContact O-N 2.85Å; M284-L290 HydrophobicContact CB-CB 4.26Å; M284-L290 HydrophobicContact CE-CD1 3.82Å; M284-L290 HydrophobicContact CE-CD2 4.22Å; M284-L290 HydrophobicContact CE-CG 4.45Å; M284-L290 HydrophobicContact CG-CB 4.26Å; M284-L290 HydrophobicContact CG-CD1 4.15Å; M284-H291 WeakPolarHBondContact O-CA 3.47Å; M284-H291 PolarHBondContact O-N 3.25Å; M284-T294 HydrophobicContact CB-CG2 3.97Å; M284-Y297 HydrophobicContact CE-CD1 3.55Å; M284-Y297 HydrophobicContact CE-CD2 3.34Å; M284-Y297 HydrophobicContact CE-CE1 3.77Å; M284-Y297 HydrophobicContact CE-CE2 3.58Å; M284-Y297 HydrophobicContact CE-CG 3.38Å; M284-Y297 HydrophobicContact SD-CD1 3.5Å; M284-Y297 WeakPolarHBondContact SD-CD1 3.37Å; M284-Y297 HydrophobicContact SD-CD2 4.21Å; M284-Y297 HydrophobicContact SD-CE1 4.11Å; M284-Y297 HydrophobicContact SD-CG 3.6Å
285S80.8Confident85.2Confident26 Ų2644.8 Ų44.818%0.18225%0.246CC..Hα-helixtrans-61.6-31176.6-640000111.8L28 E281 Q282 D287 H291L28-S285 VanDerWaalsContact CD1-O 3.28Å; L28-S285 WeakPolarHBondContact CD1-O 3.44Å; E281-S285 WeakPolarHBondContact O-CB 3.37Å; E281-S285 PolarHBondContact O-N 3.33Å; E281-S285 PolarHBondContact O-OG 3.37Å; Q282-S285 PolarHBondContact O-N 3.49Å; S285-D287 VanDerWaalsContact C-N 3.31Å; S285-H291 PolarHBondContact O-ND1 3.27Å
286C78.1Confident85.2Confident39 Ų3941.6 Ų41.626%0.26423%0.226SC..THydrogen-bonded Turntrans-84.8-0.6177.3-64.90000113.6R25 Q282 F283 M284R25-C286 HydrophobicContact CG-CB 4.49Å; R25-C286 WeakPolarHBondContact CG-O 3.38Å; R25-C286 PolarHBondContact NE-O 3.41Å; Q282-C286 PolarHBondContact O-N 2.79Å; Q282-C286 PolarHBondContact O-SG 3.47Å; F283-C286 PolarHBondContact O-N 3.1Å; M284-C286 PolarHBondContact O-N 3.16Å
287D81.6Confident85.3Confident0 Ų041.2 Ų41.20%022%0.223CC..  trans-113.6136.3-169.5-161.417.3000113.1Q21 Y224 F283 M284 S285 Y289 L290 H291Q21-D287 PolarHBondContact NE2-OD1 2.97Å; Y224-D287 WeakPolarHBondContact CE1-OD2 3.33Å; Y224-D287 PolarHBondContact OH-OD1 3.17Å; Y224-D287 PolarHBondContact OH-OD2 3.41Å; F283-D287 PolarHBondContact O-N 3.28Å; M284-D287 PolarHBondContact O-N 2.85Å; S285-D287 VanDerWaalsContact C-N 3.31Å; D287-Y289 PolarHBondContact O-N 3.21Å; D287-L290 PolarHBondContact O-N 3.09Å; D287-H291 WeakPolarHBondContact O-CA 3.36Å; D287-H291 WeakPolarHBondContact O-CB 3.36Å; D287-H291 PolarHBondContact O-N 2.81Å
288R78.1Confident85.3Confident48 Ų4841.5 Ų41.518%0.18123%0.225CC..THydrogen-bonded Turntrans-60.5-44.1-168.5-177.8-176.2175.6173.27.2112.9F24 F151 F152 F153 G154F24-R288 HydrophobicContact CB-CB 4.31Å; F24-R288 HydrophobicContact CB-CG 4.42Å; F24-R288 HydrophobicContact CD1-CB 4.01Å; F24-R288 HydrophobicContact CD2-CG 4.26Å; F24-R288 HydrophobicContact CG-CB 4.04Å; F24-R288 HydrophobicContact CG-CG 4.13Å; F151-R288 PolarHBondContact O-NH1 2.84Å; F151-R288 PolarHBondContact O-NH2 3.44Å; F152-R288 VanDerWaalsContact O-CZ 3.23Å; F152-R288 PolarHBondContact O-NH1 2.95Å; F152-R288 PolarHBondContact O-NH2 3.1Å; F153-R288 PolarHBondContact O-NH2 2.81Å; G154-R288 VanDerWaalsContact N-NH2 3.15Å
289Y81.4Confident85.4Confident34 Ų3444 Ų4413%0.13323%0.225CC..THydrogen-bonded Turntrans-76.5-35.5-173.2-55.8-67.8000112.6F151 L188 M191 D287F151-Y289 AromaticContact CD1-CE1 3.91Å; F151-Y289 HydrophobicContact CD1-CE1 3.91Å; F151-Y289 HydrophobicContact CE1-CE1 4.46Å; L188-Y289 HydrophobicContact CD1-CD1 4.21Å; L188-Y289 HydrophobicContact CD1-CD2 3.87Å; L188-Y289 HydrophobicContact CD1-CE1 4.24Å; L188-Y289 HydrophobicContact CD1-CE2 3.9Å; L188-Y289 HydrophobicContact CD1-CG 4.03Å; L188-Y289 HydrophobicContact CD2-CE1 4.35Å; L188-Y289 HydrophobicContact CD2-CE2 4.48Å; L188-Y289 HydrophobicContact CG-CE1 4.32Å; M191-Y289 HydrophobicContact CE-CD2 4.48Å; M191-Y289 HydrophobicContact CE-CG 4.36Å; D287-Y289 PolarHBondContact O-N 3.21Å
290L82.3Confident85.6Confident3 Ų343 Ų432%0.01621%0.212CC..THydrogen-bonded Turntrans-99.4-16.8-171.8-70167.2000113.1M191 F196 Y224 M284 D287 L292 H293 T294M191-L290 HydrophobicContact CE-CD1 4.41Å; M191-L290 HydrophobicContact CE-CG 4.24Å; M191-L290 HydrophobicContact CG-CD2 3.68Å; M191-L290 HydrophobicContact CG-CG 4.4Å; M191-L290 HydrophobicContact SD-CD1 4.16Å; M191-L290 HydrophobicContact SD-CD2 3.9Å; M191-L290 HydrophobicContact SD-CG 4.15Å; F196-L290 HydrophobicContact CE1-CD2 4.13Å; F196-L290 HydrophobicContact CZ-CD2 4.4Å; Y224-L290 HydrophobicContact CD1-CD1 4.07Å; Y224-L290 HydrophobicContact CE1-CD1 4Å; M284-L290 HydrophobicContact CB-CB 4.26Å; M284-L290 HydrophobicContact CE-CD1 3.82Å; M284-L290 HydrophobicContact CE-CD2 4.22Å; M284-L290 HydrophobicContact CE-CG 4.45Å; M284-L290 HydrophobicContact CG-CB 4.26Å; M284-L290 HydrophobicContact CG-CD1 4.15Å; D287-L290 PolarHBondContact O-N 3.09Å; L290-L292 VanDerWaalsContact C-N 3.32Å; L290-L292 PolarHBondContact O-N 3.13Å; L290-H293 CarbonylContact O-C 3.6Å; L290-H293 WeakPolarHBondContact O-CA 3.33Å; L290-H293 PolarHBondContact O-N 2.95Å; L290-T294 PolarHBondContact O-N 3.5Å; L290-T294 PolarHBondContact O-OG1 3.33Å
291H81.7Confident85.7Confident60 Ų6042.6 Ų42.628%0.27821%0.209SC..G310 helixtrans-49.7-50.5-176.1178.378.5000112.9F24 L28 M284 S285 D287 H293 T294F24-H291 HydrophobicContact CE1-CB 3.69Å; F24-H291 AromaticContact CE1-CG 3.88Å; F24-H291 HydrophobicContact CZ-CB 3.61Å; F24-H291 AromaticContact CZ-CD2 3.71Å; F24-H291 AromaticContact CZ-CG 3.59Å; L28-H291 WeakPolarHBondContact CD2-CE1 3.36Å; M284-H291 WeakPolarHBondContact O-CA 3.47Å; M284-H291 PolarHBondContact O-N 3.25Å; S285-H291 PolarHBondContact O-ND1 3.27Å; D287-H291 WeakPolarHBondContact O-CA 3.36Å; D287-H291 WeakPolarHBondContact O-CB 3.36Å; D287-H291 PolarHBondContact O-N 2.81Å; H291-H293 PolarHBondContact O-N 3.09Å; H291-H293 VanDerWaalsContact O-N 3.1Å; H291-T294 PolarHBondContact O-N 3.1Å; H291-T294 PolarHBondContact O-OG1 3.34Å
292L83.3Confident85.9Confident112 Ų11242 Ų4259%0.58620%0.204SC*.G310 helixtrans-64.8-13.7179.2-70.3161.3000113.8L290L290-L292 VanDerWaalsContact C-N 3.32Å; L290-L292 PolarHBondContact O-N 3.13Å
293H86.6Confident86.2Confident9 Ų936 Ų364%0.04218%0.177CC..G310 helixtrans-120.4-0.3-170.4-58.9-20.6000112.7S192 R194 L290 H291 C295 Y296 Y297S192-H293 PolarHBondContact O-NE2 3.07Å; R194-H293 HydrophobicContact CG-CB 4.46Å; R194-H293 PolarHBondContact NE-CE1 3.29Å; R194-H293 PolarHBondContact NE-ND1 3.36Å; L290-H293 CarbonylContact O-C 3.6Å; L290-H293 WeakPolarHBondContact O-CA 3.33Å; L290-H293 PolarHBondContact O-N 2.95Å; H291-H293 PolarHBondContact O-N 3.09Å; H291-H293 VanDerWaalsContact O-N 3.1Å; H293-C295 PolarHBondContact O-N 3.42Å; H293-Y296 WeakPolarHBondContact O-CB 3.44Å; H293-Y296 PolarHBondContact O-N 3Å; H293-Y297 PolarHBondContact O-N 2.96Å
294T87.1Confident86.5Confident6 Ų636.1 Ų36.14%0.03718%0.178CC..Hα-helixtrans-52.5-50.6179.5-49.90000112.3E281 M284 L290 H291 Y296 Y297 V298E281-T294 HydrophobicContact CG-CG2 3.72Å; M284-T294 HydrophobicContact CB-CG2 3.97Å; L290-T294 PolarHBondContact O-N 3.5Å; L290-T294 PolarHBondContact O-OG1 3.33Å; H291-T294 PolarHBondContact O-N 3.1Å; H291-T294 PolarHBondContact O-OG1 3.34Å; T294-Y296 VanDerWaalsContact C-N 3.26Å; T294-Y296 PolarHBondContact O-N 3.45Å; T294-Y297 PolarHBondContact O-N 3.33Å; T294-V298 HydrophobicContact CG2-CG2 4.45Å; T294-V298 WeakPolarHBondContact O-CG2 3.4Å; T294-V298 PolarHBondContact O-N 3.45Å
295C88.2Confident86.9Confident107 Ų10736.1 Ų36.172%0.72318%0.178SC*.Hα-helixtrans-62.1-35179.9-57.80000112.8H293 R299H293-C295 PolarHBondContact O-N 3.42Å; C295-R299 VanDerWaalsContact O-CB 3.25Å; C295-R299 WeakPolarHBondContact O-CB 3.37Å; C295-R299 PolarHBondContact O-N 2.95Å
296Y91.5Very high87.4Confident65 Ų6535 Ų3526%0.25517%0.17SC..Hα-helixtrans-68.6-49176173.5-94.3000110F196 H293 T294 V298 R299 E300F196-Y296 AromaticContact CD2-CE1 3.95Å; F196-Y296 HydrophobicContact CD2-CE1 3.95Å; F196-Y296 AromaticContact CE2-CD1 3.78Å; F196-Y296 HydrophobicContact CE2-CD1 3.78Å; F196-Y296 AromaticContact CE2-CE1 3.6Å; F196-Y296 HydrophobicContact CE2-CE1 3.6Å; H293-Y296 WeakPolarHBondContact O-CB 3.44Å; H293-Y296 PolarHBondContact O-N 3Å; T294-Y296 VanDerWaalsContact C-N 3.26Å; T294-Y296 PolarHBondContact O-N 3.45Å; Y296-V298 PolarHBondContact O-N 2.95Å; Y296-R299 PolarHBondContact O-N 2.89Å; Y296-E300 HydrophobicContact CD1-CG 4.19Å; Y296-E300 HydrophobicContact CD2-CG 4.19Å; Y296-E300 HydrophobicContact CE1-CG 3.75Å; Y296-E300 HydrophobicContact CE2-CG 3.75Å; Y296-E300 WeakPolarHBondContact CE2-OE1 3.33Å; Y296-E300 HydrophobicContact CG-CG 4.39Å; Y296-E300 WeakPolarHBondContact O-CG 3.35Å; Y296-E300 PolarHBondContact O-N 3.04Å
297Y92Very high88Confident0 Ų035 Ų350%017%0.17CC..Hα-helixtrans-56-52.4179.8-171.3-82.6000111.9F196 M227 I231 Y261 M284 H293 T294 R299 E300 M301F196-Y297 HydrophobicContact CE1-CD2 4.29Å; F196-Y297 HydrophobicContact CZ-CD2 4.21Å; M227-Y297 HydrophobicContact CB-CE2 4.47Å; M227-Y297 HydrophobicContact CE-CD1 4.13Å; M227-Y297 HydrophobicContact CE-CE1 3.26Å; M227-Y297 HydrophobicContact CE-CE2 3.88Å; M227-Y297 WeakPolarHBondContact CE-OH 3.5Å; M227-Y297 VanDerWaalsContact O-CE2 3.3Å; M227-Y297 WeakPolarHBondContact O-CE2 3.38Å; M227-Y297 PolarHBondContact O-OH 3.21Å; I231-Y297 HydrophobicContact CD1-CD1 4.47Å; I231-Y297 HydrophobicContact CD1-CD2 3.06Å; I231-Y297 HydrophobicContact CD1-CE2 3.11Å; I231-Y297 HydrophobicContact CD1-CG 3.77Å; I231-Y297 HydrophobicContact CG1-CD2 4.03Å; I231-Y297 HydrophobicContact CG1-CE2 3.54Å; Y261-Y297 WeakPolarHBondContact OH-CE1 3.44Å; Y261-Y297 PolarHBondContact OH-OH 3.09Å; M284-Y297 HydrophobicContact CE-CD1 3.55Å; M284-Y297 HydrophobicContact CE-CD2 3.34Å; M284-Y297 HydrophobicContact CE-CE1 3.77Å; M284-Y297 HydrophobicContact CE-CE2 3.58Å; M284-Y297 HydrophobicContact CE-CG 3.38Å; M284-Y297 HydrophobicContact SD-CD1 3.5Å; M284-Y297 WeakPolarHBondContact SD-CD1 3.37Å; M284-Y297 HydrophobicContact SD-CD2 4.21Å; M284-Y297 HydrophobicContact SD-CE1 4.11Å; M284-Y297 HydrophobicContact SD-CG 3.6Å; H293-Y297 PolarHBondContact O-N 2.96Å; T294-Y297 PolarHBondContact O-N 3.33Å; Y297-R299 VanDerWaalsContact C-N 3.29Å; Y297-R299 PolarHBondContact O-N 3.18Å; Y297-E300 PolarHBondContact O-N 3.19Å; Y297-M301 HydrophobicContact CD1-CG 3.88Å; Y297-M301 HydrophobicContact CE1-CG 3.39Å; Y297-M301 HydrophobicContact CE1-SD 4.28Å; Y297-M301 WeakPolarHBondContact O-CB 3.49Å; Y297-M301 WeakPolarHBondContact O-CG 3.46Å; Y297-M301 PolarHBondContact O-N 3.23Å
298V92.6Very high88.4Confident8 Ų836.8 Ų36.85%0.04818%0.179CC..Hα-helixtrans-60.1-40.9179.51740000111.1L277 E281 T294 Y296 R302L277-V298 HydrophobicContact CD2-CG1 4.32Å; E281-V298 HydrophobicContact CB-CG2 3.99Å; E281-V298 HydrophobicContact CG-CG2 3.86Å; T294-V298 HydrophobicContact CG2-CG2 4.45Å; T294-V298 WeakPolarHBondContact O-CG2 3.4Å; T294-V298 PolarHBondContact O-N 3.45Å; Y296-V298 PolarHBondContact O-N 2.95Å; V298-R302 WeakPolarHBondContact O-CG 3.33Å; V298-R302 PolarHBondContact O-N 3.3Å
299R91.3Very high89Confident99 Ų9935 Ų3537%0.37417%0.172SC..Hα-helixtrans-64.9-46.6179.1-172.6-177.468.6-172.51112.1C295 Y296 Y297 R302 I303 F339C295-R299 VanDerWaalsContact O-CB 3.25Å; C295-R299 WeakPolarHBondContact O-CB 3.37Å; C295-R299 PolarHBondContact O-N 2.95Å; Y296-R299 PolarHBondContact O-N 2.89Å; Y297-R299 VanDerWaalsContact C-N 3.29Å; Y297-R299 PolarHBondContact O-N 3.18Å; R299-R302 PolarHBondContact O-N 2.94Å; R299-I303 HydrophobicContact CG-CD1 4.4Å; R299-I303 WeakPolarHBondContact O-CG1 3.41Å; R299-I303 PolarHBondContact O-N 3.48Å; R299-I303 VanDerWaalsContact O-N 3.15Å; R299-F339 HydrophobicContact CG-CE1 3.7Å; R299-F339 HydrophobicContact CG-CZ 4.19Å
300E91.4Very high89.3Confident6 Ų633.7 Ų33.73%0.02817%0.168CC..Hα-helixtrans-65.4-42.4179-62.8-58.8134.500110.9I231 Y296 Y297 R302 I303 H304 R344I231-E300 HydrophobicContact CD1-CB 4.38Å; Y296-E300 HydrophobicContact CD1-CG 4.19Å; Y296-E300 HydrophobicContact CD2-CG 4.19Å; Y296-E300 HydrophobicContact CE1-CG 3.75Å; Y296-E300 HydrophobicContact CE2-CG 3.75Å; Y296-E300 WeakPolarHBondContact CE2-OE1 3.33Å; Y296-E300 HydrophobicContact CG-CG 4.39Å; Y296-E300 WeakPolarHBondContact O-CG 3.35Å; Y296-E300 PolarHBondContact O-N 3.04Å; Y297-E300 PolarHBondContact O-N 3.19Å; E300-R302 VanDerWaalsContact C-N 3.33Å; E300-R302 PolarHBondContact O-N 3.05Å; E300-I303 WeakPolarHBondContact O-CB 3.47Å; E300-I303 PolarHBondContact O-N 3.28Å; E300-I303 VanDerWaalsContact O-N 3.1Å; E300-H304 PolarHBondContact O-CD2 3.49Å; E300-H304 PolarHBondContact O-N 3.49Å; E300-R344 IonicContact OE1-NH1 3.69Å; E300-R344 IonicContact OE1-NH2 3.86Å; E300-R344 IonicContact OE2-CZ 3.57Å; E300-R344 IonicContact OE2-NH1 3.74Å; E300-R344 IonicContact OE2-NH2 2.66Å; E300-R344 PolarHBondContact OE2-NH2 3.34Å
301M91.7Very high89.5Confident0 Ų039.2 Ų39.20%020%0.197CC..Hα-helixtrans-61.8-38.2177-72-54.3-48.800113.2M230 I231 Y261 L265 F273 L277 Y297 H304 A305M230-M301 HydrophobicContact CB-CE 4.25Å; M230-M301 HydrophobicContact CB-SD 4.23Å; M230-M301 HydrophobicContact CE-CE 3.89Å; I231-M301 HydrophobicContact CD1-CG 4.47Å; I231-M301 HydrophobicContact CD1-SD 4.42Å; I231-M301 HydrophobicContact CG1-CG 4.21Å; I231-M301 HydrophobicContact CG1-SD 3.55Å; I231-M301 VanDerWaalsContact CG1-SD 3.55Å; Y261-M301 WeakPolarHBondContact OH-CE 3.32Å; Y261-M301 WeakPolarHBondContact OH-CG 3.32Å; L265-M301 HydrophobicContact CD2-CE 3.82Å; F273-M301 HydrophobicContact CE2-CE 4Å; F273-M301 HydrophobicContact CZ-CB 4.31Å; F273-M301 HydrophobicContact CZ-CE 3.74Å; L277-M301 HydrophobicContact CD1-CB 4.14Å; L277-M301 HydrophobicContact CD1-CG 4.48Å; Y297-M301 HydrophobicContact CD1-CG 3.88Å; Y297-M301 HydrophobicContact CE1-CG 3.39Å; Y297-M301 HydrophobicContact CE1-SD 4.28Å; Y297-M301 WeakPolarHBondContact O-CB 3.49Å; Y297-M301 WeakPolarHBondContact O-CG 3.46Å; Y297-M301 PolarHBondContact O-N 3.23Å; M301-H304 PolarHBondContact O-N 2.97Å; M301-A305 PolarHBondContact O-N 3.34Å
302R91.7Very high89.9Confident55 Ų5539.9 Ų39.921%0.20821%0.209CC..Hα-helixtrans-62.3-44172.4-72.4-178.7-164.6177.84.3111.5F274 L277 V298 R299 E300 H304 A305 L306 E335 F339F274-R302 HydrophobicContact CE1-CG 3.98Å; F274-R302 HydrophobicContact CZ-CG 4.47Å; L277-R302 HydrophobicContact CD2-CG 4.17Å; V298-R302 WeakPolarHBondContact O-CG 3.33Å; V298-R302 PolarHBondContact O-N 3.3Å; R299-R302 PolarHBondContact O-N 2.94Å; E300-R302 VanDerWaalsContact C-N 3.33Å; E300-R302 PolarHBondContact O-N 3.05Å; R302-H304 VanDerWaalsContact C-N 3.32Å; R302-H304 PolarHBondContact O-N 3.27Å; R302-A305 PolarHBondContact O-N 2.96Å; R302-L306 WeakPolarHBondContact O-CB 3.4Å; R302-L306 WeakPolarHBondContact O-CD1 3.47Å; R302-L306 WeakPolarHBondContact O-CG 3.25Å; R302-L306 PolarHBondContact O-N 3.46Å; R302-E335 WeakPolarHBondContact CD-OE1 3.25Å; R302-E335 IonicContact CZ-OE1 3.7Å; R302-E335 IonicContact NE-OE1 2.97Å; R302-E335 IonicContact NH1-OE1 2.66Å; R302-E335 PolarHBondContact NH1-OE1 3.47Å; R302-F339 HydrophobicContact CB-CE2 4.33Å; R302-F339 HydrophobicContact CB-CZ 4.22Å
303I91.9Very high90.2Very high11 Ų1140.1 Ų40.16%0.05620%0.202CC..Hα-helixtrans-60.3-43.5176.3-65.9165.5000110.6R299 E300 L306 S307 F339 R344 L345R299-I303 HydrophobicContact CG-CD1 4.4Å; R299-I303 WeakPolarHBondContact O-CG1 3.41Å; R299-I303 PolarHBondContact O-N 3.48Å; R299-I303 VanDerWaalsContact O-N 3.15Å; E300-I303 WeakPolarHBondContact O-CB 3.47Å; E300-I303 PolarHBondContact O-N 3.28Å; E300-I303 VanDerWaalsContact O-N 3.1Å; I303-L306 PolarHBondContact O-N 3.38Å; I303-S307 VanDerWaalsContact O-CB 3.23Å; I303-S307 WeakPolarHBondContact O-CB 3.18Å; I303-S307 PolarHBondContact O-N 2.92Å; I303-F339 HydrophobicContact CD1-CD1 3.77Å; I303-F339 HydrophobicContact CD1-CE1 3.72Å; I303-F339 HydrophobicContact CD1-CZ 4.46Å; I303-F339 HydrophobicContact CG1-CD1 3.59Å; I303-F339 HydrophobicContact CG1-CD2 4.27Å; I303-F339 HydrophobicContact CG1-CE1 3.5Å; I303-F339 HydrophobicContact CG1-CE2 4.19Å; I303-F339 HydrophobicContact CG1-CG 3.99Å; I303-F339 HydrophobicContact CG1-CZ 3.81Å; I303-R344 HydrophobicContact CD1-CB 4.17Å; I303-R344 HydrophobicContact CD1-CG 4.37Å; I303-R344 HydrophobicContact CG2-CB 4.46Å; I303-L345 HydrophobicContact CG2-CD2 4.14Å
304H90.4Very high90.2Very high71 Ų7143.7 Ų43.733%0.32923%0.229SC..Hα-helixtrans-62-47.6177.9-75.6-65.7000112.6E300 M301 R302 L306 S307 Q308E300-H304 PolarHBondContact O-CD2 3.49Å; E300-H304 PolarHBondContact O-N 3.49Å; M301-H304 PolarHBondContact O-N 2.97Å; R302-H304 VanDerWaalsContact C-N 3.32Å; R302-H304 PolarHBondContact O-N 3.27Å; H304-L306 PolarHBondContact O-N 3.41Å; H304-S307 PolarHBondContact O-N 3.18Å; H304-Q308 WeakPolarHBondContact O-CB 3.49Å; H304-Q308 PolarHBondContact O-N 3.43Å
305A91.5Very high90.3Very high0 Ų047 Ų470%025%0.252CS..Hα-helixtrans-62.5-43.6178.600000111.9L265 Y270 F273 M301 R302 H309 F325L265-A305 HydrophobicContact CD1-CB 4.26Å; Y270-A305 HydrophobicContact CD1-CB 4.39Å; F273-A305 HydrophobicContact CD1-CB 4.1Å; F273-A305 HydrophobicContact CE1-CB 3.68Å; F273-A305 HydrophobicContact CZ-CB 4.36Å; M301-A305 PolarHBondContact O-N 3.34Å; R302-A305 PolarHBondContact O-N 2.96Å; A305-H309 PolarHBondContact O-N 2.66Å; A305-F325 HydrophobicContact CB-CE1 4.34Å
306L91.5Very high90.5Very high1 Ų142.9 Ų42.91%0.00522%0.223CC..Hα-helixtrans-65.2-45.8176.9-67.7169.2000111.6R302 I303 H304 Q308 H309 L310 M321 F325 L332 L336 F339 L345R302-L306 WeakPolarHBondContact O-CB 3.4Å; R302-L306 WeakPolarHBondContact O-CD1 3.47Å; R302-L306 WeakPolarHBondContact O-CG 3.25Å; R302-L306 PolarHBondContact O-N 3.46Å; I303-L306 PolarHBondContact O-N 3.38Å; H304-L306 PolarHBondContact O-N 3.41Å; L306-Q308 PolarHBondContact O-N 2.81Å; L306-H309 PolarHBondContact O-N 2.91Å; L306-L310 WeakPolarHBondContact O-CB 3.43Å; L306-L310 VanDerWaalsContact O-CG 3.26Å; L306-L310 WeakPolarHBondContact O-CG 3.41Å; L306-L310 PolarHBondContact O-N 3.48Å; L306-M321 HydrophobicContact CD2-CE 3.39Å; L306-F325 HydrophobicContact CD2-CE1 4.25Å; L306-F325 HydrophobicContact CD2-CE2 3.98Å; L306-F325 HydrophobicContact CD2-CZ 3.8Å; L306-L332 HydrophobicContact CD2-CD1 3.94Å; L306-L336 HydrophobicContact CD1-CD2 4.23Å; L306-L336 HydrophobicContact CD2-CD2 4.32Å; L306-F339 HydrophobicContact CD1-CD2 3.68Å; L306-F339 HydrophobicContact CD1-CE2 3.63Å; L306-L345 HydrophobicContact CB-CD1 4.18Å; L306-L345 HydrophobicContact CB-CD2 4.43Å; L306-L345 HydrophobicContact CD1-CD1 4.24Å
307S90Very high90.5Very high39 Ų3942.2 Ų42.227%0.27323%0.228SC..Hα-helixtrans-60-46177.1-169.90000111.2I303 H304 H309 L310 D311I303-S307 VanDerWaalsContact O-CB 3.23Å; I303-S307 WeakPolarHBondContact O-CB 3.18Å; I303-S307 PolarHBondContact O-N 2.92Å; H304-S307 PolarHBondContact O-N 3.18Å; S307-H309 VanDerWaalsContact C-N 3.27Å; S307-H309 PolarHBondContact O-N 3.08Å; S307-L310 PolarHBondContact O-N 2.92Å; S307-D311 WeakPolarHBondContact O-CB 3.34Å; S307-D311 PolarHBondContact O-N 3.05Å
308Q90Very high90.4Very high38 Ų3843.6 Ų43.618%0.17824%0.235CC..Hα-helixtrans-60.3-37.5179.4-179.8176.9-28.400112.2L265 C268 H304 L306L265-Q308 PolarHBondContact O-NE2 3.1Å; L265-Q308 VanDerWaalsContact O-NE2 3.07Å; C268-Q308 PolarHBondContact SG-NE2 3.22Å; C268-Q308 VanDerWaalsContact SG-NE2 3.36Å; H304-Q308 WeakPolarHBondContact O-CB 3.49Å; H304-Q308 PolarHBondContact O-N 3.43Å; L306-Q308 PolarHBondContact O-N 2.81Å
309H90.5Very high90.4Very high10 Ų1048.5 Ų48.55%0.04626%0.261CS..Hα-helixtrans-71.3-45.9176.3-169.668.3000111.6Y270 A305 L306 S307 D311 S312 Y313 L316 F325Y270-H309 HydrophobicContact CE1-CB 4.41Å; Y270-H309 HydrophobicContact CE2-CB 4.14Å; Y270-H309 AromaticContact CE2-ND1 3.33Å; Y270-H309 VanDerWaalsContact CE2-ND1 3.33Å; Y270-H309 WeakPolarHBondContact CE2-ND1 3.25Å; Y270-H309 AromaticContact CZ-ND1 3.86Å; Y270-H309 WeakPolarHBondContact OH-CA 3.36Å; Y270-H309 PolarHBondContact OH-N 3.37Å; A305-H309 PolarHBondContact O-N 2.66Å; L306-H309 PolarHBondContact O-N 2.91Å; S307-H309 VanDerWaalsContact C-N 3.27Å; S307-H309 PolarHBondContact O-N 3.08Å; H309-D311 PolarHBondContact O-N 3.09Å; H309-S312 PolarHBondContact O-N 3.06Å; H309-S312 PolarHBondContact O-OG 3.32Å; H309-Y313 AromaticContact CE1-CE2 3.81Å; H309-Y313 WeakPolarHBondContact O-CD2 3.37Å; H309-L316 VanDerWaalsContact NE2-CD2 3.31Å; H309-L316 WeakPolarHBondContact NE2-CD2 3.49Å; H309-F325 HydrophobicContact CB-CE2 4.14Å; H309-F325 HydrophobicContact CB-CZ 3.84Å; H309-F325 AromaticContact CD2-CE2 3.83Å; H309-F325 AromaticContact CG-CE2 3.98Å
310L89Confident90.3Very high8 Ų845.8 Ų45.84%0.04226%0.257CS..Hα-helixtrans-64.9-38.4-179.6-69.3172.2000112L306 S307 S312 Y313 M321 L345 C347 I356 T358L306-L310 WeakPolarHBondContact O-CB 3.43Å; L306-L310 VanDerWaalsContact O-CG 3.26Å; L306-L310 WeakPolarHBondContact O-CG 3.41Å; L306-L310 PolarHBondContact O-N 3.48Å; S307-L310 PolarHBondContact O-N 2.92Å; L310-S312 PolarHBondContact O-N 3.42Å; L310-Y313 PolarHBondContact O-N 3.15Å; L310-M321 HydrophobicContact CD2-CE 4.15Å; L310-M321 HydrophobicContact CD2-SD 4.2Å; L310-M321 HydrophobicContact CG-CE 4.21Å; L310-L345 HydrophobicContact CD1-CD1 4.38Å; L310-L345 HydrophobicContact CD1-CD2 4.4Å; L310-C347 HydrophobicContact CD1-CB 4.3Å; L310-I356 HydrophobicContact CD2-CG2 3.88Å; L310-T358 HydrophobicContact CB-CG2 3.93Å; L310-T358 HydrophobicContact CD2-CG2 4.14Å; L310-T358 WeakPolarHBondContact O-CG2 3.42Å
311D86.5Confident90.4Very high119 Ų11945.5 Ų45.564%0.63626%0.255SS*.THydrogen-bonded Turntrans-59.3-25-178.8-74-28.1000113.5S307 H309S307-D311 WeakPolarHBondContact O-CB 3.34Å; S307-D311 PolarHBondContact O-N 3.05Å; H309-D311 PolarHBondContact O-N 3.09Å
312S88.4Confident90.4Very high74 Ų7445.7 Ų45.752%0.51726%0.257SS..THydrogen-bonded Turntrans-80.3-18.7178.657.80000115.3H309 L310H309-S312 PolarHBondContact O-N 3.06Å; H309-S312 PolarHBondContact O-OG 3.32Å; L310-S312 PolarHBondContact O-N 3.42Å
313Y90Very high90.4Very high116 Ų11646.9 Ų46.946%0.45528%0.279SS..  trans-126.6140.2-173.3-59.6-71.8000111.5H309 L310 L316 T358H309-Y313 AromaticContact CE1-CE2 3.81Å; H309-Y313 WeakPolarHBondContact O-CD2 3.37Å; L310-Y313 PolarHBondContact O-N 3.15Å; Y313-L316 HydrophobicContact CD2-CD1 4.34Å; Y313-L316 HydrophobicContact CG-CD1 4.48Å; Y313-T358 VanDerWaalsContact O-CG2 3.28Å; Y313-T358 WeakPolarHBondContact O-CG2 3.48Å; Y313-T358 PolarHBondContact O-OG1 3.22Å; Y313-T358 VanDerWaalsContact O-OG1 3.1Å
314S87.3Confident90.3Very high85 Ų8548.8 Ų48.859%0.59429%0.293SS*.SBendtrans-78.9-36.8173.9-1700000112.4T358S314-T358 WeakPolarHBondContact CA-OG1 3.46Å; S314-T358 PolarHBondContact O-N 3.43Å; S314-T358 PolarHBondContact O-OG1 2.93Å
315S90.1Very high90.4Very high74 Ų7445.5 Ų45.552%0.51728%0.278SS..EExtended strand (participates in β ladder)trans-141.8143176.555.40000109.5I356S315-I356 CarbonylContact C-O 3.54Å; S315-I356 VanDerWaalsContact CA-O 3.28Å; S315-I356 WeakPolarHBondContact CA-O 3.21Å
316L90.8Very high90.3Very high22 Ų2248.3 Ų48.312%0.11531%0.307CS..EExtended strand (participates in β ladder)trans-145.6140.8-176.3-173.567.7000110.3H309 Y313 S320 M321 I355 I356H309-L316 VanDerWaalsContact NE2-CD2 3.31Å; H309-L316 WeakPolarHBondContact NE2-CD2 3.49Å; Y313-L316 HydrophobicContact CD2-CD1 4.34Å; Y313-L316 HydrophobicContact CG-CD1 4.48Å; L316-S320 WeakPolarHBondContact CD1-OG 3.49Å; L316-M321 HydrophobicContact CD2-CB 3.59Å; L316-M321 HydrophobicContact CD2-CG 3.77Å; L316-M321 HydrophobicContact CD2-SD 3.89Å; L316-M321 HydrophobicContact CG-CB 4.26Å; L316-I355 CarbonylContact O-C 3.39Å; L316-I355 WeakPolarHBondContact O-CA 3.39Å; L316-I356 PolarHBondContact N-O 2.94Å; L316-I356 PolarHBondContact O-N 3.05Å
317S92Very high90.3Very high51 Ų5149.9 Ų49.936%0.35732%0.316SS..EExtended strand (participates in β ladder)trans-77.9139.9172.165.20000110.9D319 S320 M321 G354S317-D319 PolarHBondContact O-N 2.66Å; S317-S320 PolarHBondContact O-N 3.47Å; S317-S320 PolarHBondContact O-OG 2.74Å; S317-S320 VanDerWaalsContact OG-CB 3.24Å; S317-S320 WeakPolarHBondContact OG-CB 3.42Å; S317-S320 PolarHBondContact OG-N 3.06Å; S317-S320 PolarHBondContact OG-OG 3.05Å; S317-M321 PolarHBondContact O-N 3.38Å; S317-M321 VanDerWaalsContact O-N 3.15Å; S317-G354 CarbonylContact C-O 3.57Å; S317-G354 WeakPolarHBondContact CA-O 3.3Å
318L90.3Very high90.5Very high28 Ų2852.2 Ų52.215%0.14733%0.329CS..Hα-helixtrans-55-38.6178.6-17276.9000111.5M321 A322 P329 L332 L336 G354 I356L318-M321 PolarHBondContact O-N 3.47Å; L318-A322 VanDerWaalsContact O-CB 3.25Å; L318-A322 WeakPolarHBondContact O-CB 3.41Å; L318-A322 PolarHBondContact O-N 3.22Å; L318-P329 HydrophobicContact CD2-CB 3.8Å; L318-P329 HydrophobicContact CG-CB 4.17Å; L318-L332 HydrophobicContact CD1-CB 4.42Å; L318-L332 HydrophobicContact CD1-CD2 3.82Å; L318-L332 HydrophobicContact CD1-CG 4.1Å; L318-L332 HydrophobicContact CG-CD2 4.45Å; L318-L336 HydrophobicContact CD1-CD1 4.41Å; L318-G354 PolarHBondContact N-O 2.83Å; L318-I356 HydrophobicContact CD1-CD1 4Å
319D91.8Very high90.5Very high111 Ų11153 Ų5359%0.59434%0.337SS*.Hα-helixtrans-67.5-40.5-179.4-62.7-37000112.8S317 M321 A322 A323S317-D319 PolarHBondContact O-N 2.66Å; D319-M321 VanDerWaalsContact C-N 3.34Å; D319-A322 PolarHBondContact O-N 3.31Å; D319-A323 WeakPolarHBondContact O-CB 3.23Å; D319-A323 PolarHBondContact O-N 3.15Å
320S90.6Very high90.6Very high42 Ų4255.9 Ų55.929%0.29436%0.363SS..Hα-helixtrans-67.8-37.3177.4680000111.9L316 S317 S324L316-S320 WeakPolarHBondContact CD1-OG 3.49Å; S317-S320 PolarHBondContact O-N 3.47Å; S317-S320 PolarHBondContact O-OG 2.74Å; S317-S320 VanDerWaalsContact OG-CB 3.24Å; S317-S320 WeakPolarHBondContact OG-CB 3.42Å; S317-S320 PolarHBondContact OG-N 3.06Å; S317-S320 PolarHBondContact OG-OG 3.05Å; S320-S324 PolarHBondContact O-N 3.43Å; S320-S324 VanDerWaalsContact O-N 3.09Å; S320-S324 PolarHBondContact O-OG 3.37Å
321M91.7Very high90.7Very high0 Ų059.5 Ų59.50%038%0.378CS..Hα-helixtrans-65.6-48.8174.3-165.1171.6177.600110.2L306 L310 L316 S317 L318 D319 A323 S324 F325 L332 L336 I356L306-M321 HydrophobicContact CD2-CE 3.39Å; L310-M321 HydrophobicContact CD2-CE 4.15Å; L310-M321 HydrophobicContact CD2-SD 4.2Å; L310-M321 HydrophobicContact CG-CE 4.21Å; L316-M321 HydrophobicContact CD2-CB 3.59Å; L316-M321 HydrophobicContact CD2-CG 3.77Å; L316-M321 HydrophobicContact CD2-SD 3.89Å; L316-M321 HydrophobicContact CG-CB 4.26Å; S317-M321 PolarHBondContact O-N 3.38Å; S317-M321 VanDerWaalsContact O-N 3.15Å; L318-M321 PolarHBondContact O-N 3.47Å; D319-M321 VanDerWaalsContact C-N 3.34Å; M321-A323 VanDerWaalsContact C-N 3.29Å; M321-A323 PolarHBondContact O-N 2.84Å; M321-S324 WeakPolarHBondContact O-CB 3.17Å; M321-S324 PolarHBondContact O-N 2.81Å; M321-F325 HydrophobicContact CE-CD2 4.26Å; M321-F325 HydrophobicContact CE-CE2 3.48Å; M321-F325 VanDerWaalsContact CE-CE2 3.48Å; M321-F325 HydrophobicContact CE-CZ 4.17Å; M321-F325 HydrophobicContact CG-CD2 3.75Å; M321-F325 HydrophobicContact CG-CE2 3.65Å; M321-F325 VanDerWaalsContact O-CD2 3.25Å; M321-F325 WeakPolarHBondContact O-CD2 3.31Å; M321-F325 PolarHBondContact O-N 3.22Å; M321-F325 HydrophobicContact SD-CE2 4.44Å; M321-L332 HydrophobicContact CB-CD2 3.69Å; M321-L332 HydrophobicContact CE-CD1 4.21Å; M321-L332 HydrophobicContact CG-CD2 3.62Å; M321-L332 HydrophobicContact SD-CD1 4.43Å; M321-L332 HydrophobicContact SD-CD2 3.86Å; M321-L336 HydrophobicContact CE-CD2 4.38Å; M321-L336 HydrophobicContact SD-CD1 4.26Å; M321-I356 HydrophobicContact SD-CD1 3.51Å; M321-I356 VanDerWaalsContact SD-CD1 3.51Å
322A91.8Very high90.9Very high5 Ų553.9 Ų53.94%0.04135%0.349CS..Hα-helixtrans-55.8-43.7177.500000111.9L318 D319 S324 F325 G326 V327 P329 L332L318-A322 VanDerWaalsContact O-CB 3.25Å; L318-A322 WeakPolarHBondContact O-CB 3.41Å; L318-A322 PolarHBondContact O-N 3.22Å; D319-A322 PolarHBondContact O-N 3.31Å; A322-S324 PolarHBondContact O-N 2.92Å; A322-F325 PolarHBondContact O-N 3.41Å; A322-G326 PolarHBondContact O-N 2.87Å; A322-V327 WeakPolarHBondContact CB-O 3.26Å; A322-V327 PolarHBondContact O-N 2.93Å; A322-P329 HydrophobicContact CB-CB 4.31Å; A322-L332 HydrophobicContact CB-CD2 4.32Å
323A91.9Very high91.1Very high79 Ų7951.7 Ų51.765%0.65333%0.331SS*.Hα-helixtrans-62.7-40175.200000113D319 M321 G326D319-A323 WeakPolarHBondContact O-CB 3.23Å; D319-A323 PolarHBondContact O-N 3.15Å; M321-A323 VanDerWaalsContact C-N 3.29Å; M321-A323 PolarHBondContact O-N 2.84Å; A323-G326 PolarHBondContact O-N 2.89Å
324S90.8Very high91.1Very high51 Ų5149 Ų4936%0.35733%0.333SS..Hα-helixtrans-66.8-37.1179.7-59.70000112.8A271 S320 M321 A322A271-S324 PolarHBondContact N-O 3.17Å; S320-S324 PolarHBondContact O-N 3.43Å; S320-S324 VanDerWaalsContact O-N 3.09Å; S320-S324 PolarHBondContact O-OG 3.37Å; M321-S324 WeakPolarHBondContact O-CB 3.17Å; M321-S324 PolarHBondContact O-N 2.81Å; A322-S324 PolarHBondContact O-N 2.92Å
325F91Very high91.3Very high2 Ų245.5 Ų45.51%0.00931%0.307CS..Hα-helixtrans-85.4-13.5177.9-75.7-75.4000113.3Y270 F274 A305 L306 H309 M321 A322 V327Y270-F325 HydrophobicContact CD1-CD1 4.23Å; Y270-F325 AromaticContact CD1-CE1 3.53Å; Y270-F325 HydrophobicContact CD1-CE1 3.53Å; Y270-F325 HydrophobicContact CD1-CZ 4.03Å; Y270-F325 HydrophobicContact CD2-CE1 4.35Å; Y270-F325 HydrophobicContact CD2-CZ 4.4Å; Y270-F325 HydrophobicContact CE1-CE1 4.27Å; Y270-F325 HydrophobicContact CE1-CZ 4.38Å; Y270-F325 AromaticContact CG-CD1 3.88Å; Y270-F325 HydrophobicContact CG-CD1 3.88Å; Y270-F325 AromaticContact CG-CE1 3.56Å; Y270-F325 HydrophobicContact CG-CE1 3.56Å; Y270-F325 HydrophobicContact CG-CZ 4.02Å; F274-F325 HydrophobicContact CD2-CB 4.15Å; F274-F325 AromaticContact CD2-CD1 3.81Å; F274-F325 HydrophobicContact CD2-CD1 3.81Å; F274-F325 HydrophobicContact CD2-CG 4.45Å; F274-F325 HydrophobicContact CE2-CB 3.85Å; F274-F325 AromaticContact CE2-CD1 3.26Å; F274-F325 HydrophobicContact CE2-CD1 3.26Å; F274-F325 HydrophobicContact CE2-CE1 4.11Å; F274-F325 AromaticContact CE2-CG 3.87Å; F274-F325 HydrophobicContact CE2-CG 3.87Å; F274-F325 HydrophobicContact CZ-CD1 4.3Å; A305-F325 HydrophobicContact CB-CE1 4.34Å; L306-F325 HydrophobicContact CD2-CE1 4.25Å; L306-F325 HydrophobicContact CD2-CE2 3.98Å; L306-F325 HydrophobicContact CD2-CZ 3.8Å; H309-F325 HydrophobicContact CB-CE2 4.14Å; H309-F325 HydrophobicContact CB-CZ 3.84Å; H309-F325 AromaticContact CD2-CE2 3.83Å; H309-F325 AromaticContact CG-CE2 3.98Å; M321-F325 HydrophobicContact CE-CD2 4.26Å; M321-F325 HydrophobicContact CE-CE2 3.48Å; M321-F325 VanDerWaalsContact CE-CE2 3.48Å; M321-F325 HydrophobicContact CE-CZ 4.17Å; M321-F325 HydrophobicContact CG-CD2 3.75Å; M321-F325 HydrophobicContact CG-CE2 3.65Å; M321-F325 VanDerWaalsContact O-CD2 3.25Å; M321-F325 WeakPolarHBondContact O-CD2 3.31Å; M321-F325 PolarHBondContact O-N 3.22Å; M321-F325 HydrophobicContact SD-CE2 4.44Å; A322-F325 PolarHBondContact O-N 3.41Å; F325-V327 VanDerWaalsContact C-N 3.35Å; F325-V327 HydrophobicContact CB-CG1 4.44Å; F325-V327 HydrophobicContact CB-CG2 3.86Å
326G90.7Very high91.4Very high59 Ų5942 Ų4261%0.60828%0.283SS*.THydrogen-bonded Turntrans71.127.8-176.100000113.6A322 A323A322-G326 PolarHBondContact O-N 2.87Å; A323-G326 PolarHBondContact O-N 2.89Å
327V91.8Very high91.3Very high35 Ų3543.5 Ų43.521%0.21230%0.295CS..SBendtrans-117.9164-177.1-61.60000111.3F274 A322 F325 F331 L332F274-V327 HydrophobicContact CD2-CG1 4.41Å; F274-V327 HydrophobicContact CE2-CG1 4.34Å; A322-V327 WeakPolarHBondContact CB-O 3.26Å; A322-V327 PolarHBondContact O-N 2.93Å; F325-V327 VanDerWaalsContact C-N 3.35Å; F325-V327 HydrophobicContact CB-CG1 4.44Å; F325-V327 HydrophobicContact CB-CG2 3.86Å; V327-F331 HydrophobicContact CB-CD1 3.93Å; V327-F331 HydrophobicContact CG1-CD1 4.06Å; V327-F331 HydrophobicContact CG1-CE1 4.27Å; V327-F331 HydrophobicContact CG2-CD1 4.24Å; V327-L332 HydrophobicContact CG2-CB 4.27Å
328T92.6Very high91.3Very high88 Ų8846.5 Ų46.554%0.5430%0.298SS..  trans-74.8147.4173.958.60000110.9A330 F331 L332T328-A330 PolarHBondContact O-N 3.27Å; T328-F331 WeakPolarHBondContact O-CB 3.33Å; T328-F331 PolarHBondContact O-N 3.5Å; T328-F331 VanDerWaalsContact O-N 3.1Å; T328-F331 WeakPolarHBondContact OG1-CB 3.44Å; T328-F331 PolarHBondContact OG1-N 2.94Å; T328-L332 PolarHBondContact O-N 3.06Å; T328-L332 VanDerWaalsContact O-N 3.16Å
329P91Very high91.4Very high54 Ų5445.2 Ų45.235%0.35129%0.291SS..Hα-helixtrans-61.1-32.8179.423.2-33.2000112.2L318 A322 F331 L332 D333L318-P329 HydrophobicContact CD2-CB 3.8Å; L318-P329 HydrophobicContact CG-CB 4.17Å; A322-P329 HydrophobicContact CB-CB 4.31Å; P329-F331 PolarHBondContact O-N 3.45Å; P329-L332 PolarHBondContact O-N 3.3Å; P329-D333 WeakPolarHBondContact O-CB 3.24Å; P329-D333 PolarHBondContact O-N 2.99Å
330A91.7Very high91.3Very high71 Ų7142.2 Ų42.259%0.58728%0.275SS*.Hα-helixtrans-65.4-36.917600000113.2T328 A334T328-A330 PolarHBondContact O-N 3.27Å; A330-A334 PolarHBondContact O-N 3.34Å
331F91.7Very high91.3Very high83 Ų8344.3 Ų44.336%0.36430%0.295SS..Hα-helixtrans-67.3-44.2174.9176.9-97.2000110.8V327 T328 P329 D333 A334 E335V327-F331 HydrophobicContact CB-CD1 3.93Å; V327-F331 HydrophobicContact CG1-CD1 4.06Å; V327-F331 HydrophobicContact CG1-CE1 4.27Å; V327-F331 HydrophobicContact CG2-CD1 4.24Å; T328-F331 WeakPolarHBondContact O-CB 3.33Å; T328-F331 PolarHBondContact O-N 3.5Å; T328-F331 VanDerWaalsContact O-N 3.1Å; T328-F331 WeakPolarHBondContact OG1-CB 3.44Å; T328-F331 PolarHBondContact OG1-N 2.94Å; P329-F331 PolarHBondContact O-N 3.45Å; F331-D333 PolarHBondContact O-N 3.25Å; F331-A334 PolarHBondContact O-N 3.16Å; F331-E335 HydrophobicContact CD1-CG 4.32Å; F331-E335 HydrophobicContact CE1-CG 3.87Å; F331-E335 WeakPolarHBondContact CE1-OE2 3.3Å; F331-E335 HydrophobicContact CE2-CG 4.33Å; F331-E335 HydrophobicContact CZ-CG 3.88Å; F331-E335 WeakPolarHBondContact CZ-OE1 3.4Å; F331-E335 PolarHBondContact O-N 3.28Å
332L91.2Very high91.1Very high2 Ų249.2 Ų49.21%0.0132%0.321CS..Hα-helixtrans-63.5-41.7179.2-17464.4000112.3L306 L318 M321 A322 V327 T328 P329 A334 E335 L336L306-L332 HydrophobicContact CD2-CD1 3.94Å; L318-L332 HydrophobicContact CD1-CB 4.42Å; L318-L332 HydrophobicContact CD1-CD2 3.82Å; L318-L332 HydrophobicContact CD1-CG 4.1Å; L318-L332 HydrophobicContact CG-CD2 4.45Å; M321-L332 HydrophobicContact CB-CD2 3.69Å; M321-L332 HydrophobicContact CE-CD1 4.21Å; M321-L332 HydrophobicContact CG-CD2 3.62Å; M321-L332 HydrophobicContact SD-CD1 4.43Å; M321-L332 HydrophobicContact SD-CD2 3.86Å; A322-L332 HydrophobicContact CB-CD2 4.32Å; V327-L332 HydrophobicContact CG2-CB 4.27Å; T328-L332 PolarHBondContact O-N 3.06Å; T328-L332 VanDerWaalsContact O-N 3.16Å; P329-L332 PolarHBondContact O-N 3.3Å; L332-A334 VanDerWaalsContact C-N 3.35Å; L332-A334 PolarHBondContact O-N 3.49Å; L332-E335 PolarHBondContact O-N 3.44Å; L332-L336 HydrophobicContact CD1-CD1 4.04Å; L332-L336 HydrophobicContact CD1-CG 4.05Å; L332-L336 HydrophobicContact CD2-CD1 4.37Å; L332-L336 HydrophobicContact CG-CD1 3.78Å; L332-L336 HydrophobicContact CG-CG 4.21Å; L332-L336 WeakPolarHBondContact O-CB 3.47Å; L332-L336 WeakPolarHBondContact O-CG 3.42Å; L332-L336 PolarHBondContact O-N 3.34Å
333D91.3Very high90.8Very high27 Ų2751.9 Ų51.914%0.14435%0.349CS..Hα-helixtrans-55.6-46.9173.7-176.720000111.4P329 F331 E335 S337 M349 K351P329-D333 WeakPolarHBondContact O-CB 3.24Å; P329-D333 PolarHBondContact O-N 2.99Å; F331-D333 PolarHBondContact O-N 3.25Å; D333-E335 PolarHBondContact O-N 2.81Å; D333-S337 VanDerWaalsContact O-CB 3.25Å; D333-S337 WeakPolarHBondContact O-CB 3.08Å; D333-S337 PolarHBondContact O-N 3.5Å; D333-S337 PolarHBondContact O-OG 3.1Å; D333-M349 WeakPolarHBondContact OD1-CE 3.4Å; D333-M349 VanDerWaalsContact OD1-SD 3.42Å; D333-K351 IonicContact OD2-NZ 2.75Å; D333-K351 PolarHBondContact OD2-NZ 3.28Å
334A91.8Very high90.4Very high60 Ų6054.2 Ų54.250%0.49634%0.341SS..Hα-helixtrans-66.2-37.6178.200000113.4A330 F331 L332 S337 R338A330-A334 PolarHBondContact O-N 3.34Å; F331-A334 PolarHBondContact O-N 3.16Å; L332-A334 VanDerWaalsContact C-N 3.35Å; L332-A334 PolarHBondContact O-N 3.49Å; A334-S337 WeakPolarHBondContact CA-OG 3.39Å; A334-S337 PolarHBondContact O-OG 2.92Å; A334-R338 PolarHBondContact O-N 3.4Å
335E90.5Very high90.2Very high12 Ų1252.2 Ų52.26%0.05633%0.326CS..Hα-helixtrans-72.9-47.6177.8-68.8-152.9135.200112.4R302 F331 L332 D333 R338 F339R302-E335 WeakPolarHBondContact CD-OE1 3.25Å; R302-E335 IonicContact CZ-OE1 3.7Å; R302-E335 IonicContact NE-OE1 2.97Å; R302-E335 IonicContact NH1-OE1 2.66Å; R302-E335 PolarHBondContact NH1-OE1 3.47Å; F331-E335 HydrophobicContact CD1-CG 4.32Å; F331-E335 HydrophobicContact CE1-CG 3.87Å; F331-E335 WeakPolarHBondContact CE1-OE2 3.3Å; F331-E335 HydrophobicContact CE2-CG 4.33Å; F331-E335 HydrophobicContact CZ-CG 3.88Å; F331-E335 WeakPolarHBondContact CZ-OE1 3.4Å; F331-E335 PolarHBondContact O-N 3.28Å; L332-E335 PolarHBondContact O-N 3.44Å; D333-E335 PolarHBondContact O-N 2.81Å; E335-R338 PolarHBondContact O-N 2.99Å; E335-F339 HydrophobicContact CB-CD2 4.49Å; E335-F339 HydrophobicContact CB-CE2 4.18Å; E335-F339 WeakPolarHBondContact O-CD2 3.28Å; E335-F339 WeakPolarHBondContact O-CG 3.46Å; E335-F339 PolarHBondContact O-N 3.1Å; E335-F339 VanDerWaalsContact O-N 3.09Å
336L91.3Very high89.9Confident0 Ų054.4 Ų54.40%035%0.345CS..Hα-helixtrans-62-46.1179.7-72.6176.2000111.1L306 L318 M321 L332 R338 F339 I340 L345 I356L306-L336 HydrophobicContact CD1-CD2 4.23Å; L306-L336 HydrophobicContact CD2-CD2 4.32Å; L318-L336 HydrophobicContact CD1-CD1 4.41Å; M321-L336 HydrophobicContact CE-CD2 4.38Å; M321-L336 HydrophobicContact SD-CD1 4.26Å; L332-L336 HydrophobicContact CD1-CD1 4.04Å; L332-L336 HydrophobicContact CD1-CG 4.05Å; L332-L336 HydrophobicContact CD2-CD1 4.37Å; L332-L336 HydrophobicContact CG-CD1 3.78Å; L332-L336 HydrophobicContact CG-CG 4.21Å; L332-L336 WeakPolarHBondContact O-CB 3.47Å; L332-L336 WeakPolarHBondContact O-CG 3.42Å; L332-L336 PolarHBondContact O-N 3.34Å; L336-R338 VanDerWaalsContact C-N 3.28Å; L336-R338 PolarHBondContact O-N 2.98Å; L336-F339 PolarHBondContact O-N 3.19Å; L336-I340 HydrophobicContact CB-CD1 4.28Å; L336-I340 WeakPolarHBondContact O-CB 3.07Å; L336-I340 WeakPolarHBondContact O-CD1 3.34Å; L336-I340 WeakPolarHBondContact O-CG1 3.28Å; L336-I340 PolarHBondContact O-N 3.38Å; L336-L345 HydrophobicContact CD2-CD1 3.76Å; L336-I356 HydrophobicContact CD1-CD1 3.49Å; L336-I356 VanDerWaalsContact CD1-CD1 3.49Å; L336-I356 HydrophobicContact CD1-CG1 4.34Å
337S90.5Very high89.8Confident53 Ų5351.9 Ų51.937%0.37132%0.318SS..Hα-helixtrans-56.2-42.3177.455.30000112.3D333 A334 F339 A341D333-S337 VanDerWaalsContact O-CB 3.25Å; D333-S337 WeakPolarHBondContact O-CB 3.08Å; D333-S337 PolarHBondContact O-N 3.5Å; D333-S337 PolarHBondContact O-OG 3.1Å; A334-S337 WeakPolarHBondContact CA-OG 3.39Å; A334-S337 PolarHBondContact O-OG 2.92Å; S337-F339 PolarHBondContact O-N 3.35Å; S337-A341 VanDerWaalsContact O-CB 3.24Å; S337-A341 WeakPolarHBondContact O-CB 3.43Å; S337-A341 PolarHBondContact O-N 3.3Å
338R91.8Very high89.6Confident114 Ų11456.7 Ų56.743%0.4334%0.336SS..Hα-helixtrans-63.9-40.8175.4-170.8-177.670.8179.6-2.5112.4A334 E335 L336 N342A334-R338 PolarHBondContact O-N 3.4Å; E335-R338 PolarHBondContact O-N 2.99Å; L336-R338 VanDerWaalsContact C-N 3.28Å; L336-R338 PolarHBondContact O-N 2.98Å; R338-N342 PolarHBondContact O-N 3.43Å; R338-N342 PolarHBondContact O-ND2 2.92Å
339F92Very high89.4Confident1 Ų155.2 Ų55.20%0.00432%0.324CS..Hα-helixtrans-77.1-34.7-177.5-65.4-43.9000113.4R299 R302 I303 L306 E335 L336 S337 N342 G343 R344 L345R299-F339 HydrophobicContact CG-CE1 3.7Å; R299-F339 HydrophobicContact CG-CZ 4.19Å; R302-F339 HydrophobicContact CB-CE2 4.33Å; R302-F339 HydrophobicContact CB-CZ 4.22Å; I303-F339 HydrophobicContact CD1-CD1 3.77Å; I303-F339 HydrophobicContact CD1-CE1 3.72Å; I303-F339 HydrophobicContact CD1-CZ 4.46Å; I303-F339 HydrophobicContact CG1-CD1 3.59Å; I303-F339 HydrophobicContact CG1-CD2 4.27Å; I303-F339 HydrophobicContact CG1-CE1 3.5Å; I303-F339 HydrophobicContact CG1-CE2 4.19Å; I303-F339 HydrophobicContact CG1-CG 3.99Å; I303-F339 HydrophobicContact CG1-CZ 3.81Å; L306-F339 HydrophobicContact CD1-CD2 3.68Å; L306-F339 HydrophobicContact CD1-CE2 3.63Å; E335-F339 HydrophobicContact CB-CD2 4.49Å; E335-F339 HydrophobicContact CB-CE2 4.18Å; E335-F339 WeakPolarHBondContact O-CD2 3.28Å; E335-F339 WeakPolarHBondContact O-CG 3.46Å; E335-F339 PolarHBondContact O-N 3.1Å; E335-F339 VanDerWaalsContact O-N 3.09Å; L336-F339 PolarHBondContact O-N 3.19Å; S337-F339 PolarHBondContact O-N 3.35Å; F339-N342 PolarHBondContact O-N 3.05Å; F339-G343 PolarHBondContact O-N 3.09Å; F339-R344 PolarHBondContact O-N 3.16Å; F339-L345 HydrophobicContact CB-CB 4.49Å; F339-L345 HydrophobicContact CB-CD1 3.57Å; F339-L345 HydrophobicContact CB-CG 3.91Å; F339-L345 HydrophobicContact CD2-CD1 4.07Å; F339-L345 HydrophobicContact CG-CD1 4.21Å
340I90.3Very high89.4Confident49 Ų4955.9 Ų55.925%0.25132%0.324SS..Hα-helixtrans-65.9-45.6172.8-65.3165.1000109.7L336 N342 G343 C347 M349L336-I340 HydrophobicContact CB-CD1 4.28Å; L336-I340 WeakPolarHBondContact O-CB 3.07Å; L336-I340 WeakPolarHBondContact O-CD1 3.34Å; L336-I340 WeakPolarHBondContact O-CG1 3.28Å; L336-I340 PolarHBondContact O-N 3.38Å; I340-N342 PolarHBondContact O-N 3.41Å; I340-G343 WeakPolarHBondContact O-CA 3.42Å; I340-G343 PolarHBondContact O-N 3.48Å; I340-C347 VanDerWaalsContact CG1-SG 3.55Å; I340-C347 WeakPolarHBondContact CG2-O 3.26Å; I340-M349 HydrophobicContact CD1-CB 4.28Å
341A89.8Confident89.2Confident86 Ų8659.6 Ų59.671%0.71133%0.327SS*.Hα-helixtrans-59.9-35.2177.200000112.7S337 G343S337-A341 VanDerWaalsContact O-CB 3.24Å; S337-A341 WeakPolarHBondContact O-CB 3.43Å; S337-A341 PolarHBondContact O-N 3.3Å; A341-G343 PolarHBondContact O-N 3.17Å
342N88.5Confident89.1Confident102 Ų10262.4 Ų62.455%0.54535%0.351SS..THydrogen-bonded Turntrans-78.2-4174.7-71.7-40.3000113.8R338 F339 I340 R344R338-N342 PolarHBondContact O-N 3.43Å; R338-N342 PolarHBondContact O-ND2 2.92Å; F339-N342 PolarHBondContact O-N 3.05Å; I340-N342 PolarHBondContact O-N 3.41Å; N342-R344 VanDerWaalsContact C-N 3.25Å; N342-R344 HydrophobicContact CB-CG 4.08Å; N342-R344 PolarHBondContact O-N 3.23Å
343G84Confident88.8Confident62 Ų6265.8 Ų65.864%0.63937%0.374SS*.THydrogen-bonded Turntrans6624.1-17800000114F339 I340 A341F339-G343 PolarHBondContact O-N 3.09Å; I340-G343 WeakPolarHBondContact O-CA 3.42Å; I340-G343 PolarHBondContact O-N 3.48Å; A341-G343 PolarHBondContact O-N 3.17Å
344R84.7Confident88.6Confident127 Ų12765.6 Ų65.648%0.47938%0.379SS..  trans-91.2-24.7-179.3-64.2-62.7-62.4-103.9-6.9112.9E300 I303 F339 N342E300-R344 IonicContact OE1-NH1 3.69Å; E300-R344 IonicContact OE1-NH2 3.86Å; E300-R344 IonicContact OE2-CZ 3.57Å; E300-R344 IonicContact OE2-NH1 3.74Å; E300-R344 IonicContact OE2-NH2 2.66Å; E300-R344 PolarHBondContact OE2-NH2 3.34Å; I303-R344 HydrophobicContact CD1-CB 4.17Å; I303-R344 HydrophobicContact CD1-CG 4.37Å; I303-R344 HydrophobicContact CG2-CB 4.46Å; F339-R344 PolarHBondContact O-N 3.16Å; N342-R344 VanDerWaalsContact C-N 3.25Å; N342-R344 HydrophobicContact CB-CG 4.08Å; N342-R344 PolarHBondContact O-N 3.23Å
345L86.1Confident88.6Confident9 Ų965.9 Ų65.95%0.04737%0.372CS..SBendtrans-114.3129.4172.4-67.3175.7000109I303 L306 L310 L336 F339 C347I303-L345 HydrophobicContact CG2-CD2 4.14Å; L306-L345 HydrophobicContact CB-CD1 4.18Å; L306-L345 HydrophobicContact CB-CD2 4.43Å; L306-L345 HydrophobicContact CD1-CD1 4.24Å; L310-L345 HydrophobicContact CD1-CD1 4.38Å; L310-L345 HydrophobicContact CD1-CD2 4.4Å; L336-L345 HydrophobicContact CD2-CD1 3.76Å; F339-L345 HydrophobicContact CB-CB 4.49Å; F339-L345 HydrophobicContact CB-CD1 3.57Å; F339-L345 HydrophobicContact CB-CG 3.91Å; F339-L345 HydrophobicContact CD2-CD1 4.07Å; F339-L345 HydrophobicContact CG-CD1 4.21Å; L345-C347 VanDerWaalsContact C-N 3.29Å; L345-C347 PolarHBondContact O-N 3.46Å; L345-C347 VanDerWaalsContact O-N 3.16Å
346A84.9Confident88.7Confident48 Ų4865.3 Ų65.340%0.39737%0.369SS..  trans-88.667.5176.500000110.3T359 P361A346-T359 VanDerWaalsContact CB-O 3.28Å; A346-T359 WeakPolarHBondContact CB-O 3.46Å; A346-T359 PolarHBondContact O-N 3.16Å; A346-T359 PolarHBondContact O-OG1 3.34Å; A346-P361 HydrophobicContact CB-CG 3.98Å
347C87.5Confident88.6Confident6 Ų670.7 Ų70.74%0.04139%0.394CS..EExtended strand (participates in β ladder)trans-138.1154.6175.358.20000111.3L310 I340 L345 I356 E357L310-C347 HydrophobicContact CD1-CB 4.3Å; I340-C347 VanDerWaalsContact CG1-SG 3.55Å; I340-C347 WeakPolarHBondContact CG2-O 3.26Å; L345-C347 VanDerWaalsContact C-N 3.29Å; L345-C347 PolarHBondContact O-N 3.46Å; L345-C347 VanDerWaalsContact O-N 3.16Å; C347-I356 HydrophobicContact CB-CG2 3.95Å; C347-E357 CarbonylContact C-O 3.56Å; C347-E357 VanDerWaalsContact CA-O 3.3Å; C347-E357 WeakPolarHBondContact CA-O 3.48Å; C347-E357 WeakPolarHBondContact CB-O 3.39Å
348K89.6Confident88.5Confident136 Ų13669.4 Ų69.459%0.59138%0.384SS*.EExtended strand (participates in β ladder)trans-114.7138.9171.5-68178178.4176.90107.4E357 T359K348-E357 PolarHBondContact N-O 3.49Å; K348-E357 PolarHBondContact O-N 2.93Å; K348-T359 HydrophobicContact CD-CG2 3.96Å; K348-T359 HydrophobicContact CG-CG2 4.05Å
349M88.4Confident88.2Confident58 Ų5866.7 Ų66.729%0.28638%0.38SS..EExtended strand (participates in β ladder)trans-116.8123.2-178.4-179.3179.17100108.7D333 I340 I356D333-M349 WeakPolarHBondContact OD1-CE 3.4Å; D333-M349 VanDerWaalsContact OD1-SD 3.42Å; I340-M349 HydrophobicContact CD1-CB 4.28Å; M349-I356 HydrophobicContact CG-CG1 4.37Å
350D90.7Very high87.5Confident67 Ų6776.3 Ų76.336%0.35842%0.417SS..EExtended strand (participates in β ladder)trans-100.2108.3168.9-178.63.2000109.3V352 S353 G354 I355D350-V352 VanDerWaalsContact C-N 3.35Å; D350-V352 PolarHBondContact OD1-N 3.31Å; D350-S353 PolarHBondContact OD1-N 2.95Å; D350-S353 WeakPolarHBondContact OD2-CB 3.28Å; D350-S353 PolarHBondContact OD2-OG 3.34Å; D350-G354 WeakPolarHBondContact O-CA 3.49Å; D350-G354 PolarHBondContact O-N 3.33Å; D350-I355 PolarHBondContact N-O 3.16Å; D350-I355 PolarHBondContact O-N 3.35Å; D350-I355 VanDerWaalsContact O-N 3.11Å
351K87.4Confident86.7Confident150 Ų15077.7 Ų77.765%0.65243%0.429SS*.THydrogen-bonded Turntrans-72.7-26.8-179.7-174163.8-176.1150.10113.1D333D333-K351 IonicContact OD2-NZ 2.75Å; D333-K351 PolarHBondContact OD2-NZ 3.28Å
352V89Confident86.1Confident141 Ų14179.5 Ų79.586%0.85543%0.427SS*.THydrogen-bonded Turntrans-74.7-45.8-178.6-179.10000109.8D350D350-V352 VanDerWaalsContact C-N 3.35Å; D350-V352 PolarHBondContact OD1-N 3.31Å
353S86Confident85.8Confident73 Ų7379.9 Ų79.951%0.5143%0.428SS..THydrogen-bonded Turntrans-80.4-18.2177.5-52.40000113D350 I355D350-S353 PolarHBondContact OD1-N 2.95Å; D350-S353 WeakPolarHBondContact OD2-CB 3.28Å; D350-S353 PolarHBondContact OD2-OG 3.34Å; S353-I355 VanDerWaalsContact C-N 3.31Å
354G87.1Confident86Confident24 Ų2482.2 Ų82.225%0.24743%0.43CS..THydrogen-bonded Turntrans70.427.5-174.900000113S317 L318 D350S317-G354 CarbonylContact C-O 3.57Å; S317-G354 WeakPolarHBondContact CA-O 3.3Å; L318-G354 PolarHBondContact N-O 2.83Å; D350-G354 WeakPolarHBondContact O-CA 3.49Å; D350-G354 PolarHBondContact O-N 3.33Å
355I91.6Very high86.1Confident65 Ų6580.3 Ų80.333%0.33343%0.429SS..EExtended strand (participates in β ladder)trans-115.9137-174.2-59.2171.9000109.8L316 D350 S353 E357L316-I355 CarbonylContact O-C 3.39Å; L316-I355 WeakPolarHBondContact O-CA 3.39Å; D350-I355 PolarHBondContact N-O 3.16Å; D350-I355 PolarHBondContact O-N 3.35Å; D350-I355 VanDerWaalsContact O-N 3.11Å; S353-I355 VanDerWaalsContact C-N 3.31Å; I355-E357 HydrophobicContact CG2-CG 4.23Å
356I90.9Very high85.9Confident1 Ų186.1 Ų86.11%0.00546%0.455CS..EExtended strand (participates in β ladder)trans-103.4121.9169.8-57.7162.9000107.3L310 S315 L316 L318 M321 L336 C347 M349L310-I356 HydrophobicContact CD2-CG2 3.88Å; S315-I356 CarbonylContact C-O 3.54Å; S315-I356 VanDerWaalsContact CA-O 3.28Å; S315-I356 WeakPolarHBondContact CA-O 3.21Å; L316-I356 PolarHBondContact N-O 2.94Å; L316-I356 PolarHBondContact O-N 3.05Å; L318-I356 HydrophobicContact CD1-CD1 4Å; M321-I356 HydrophobicContact SD-CD1 3.51Å; M321-I356 VanDerWaalsContact SD-CD1 3.51Å; L336-I356 HydrophobicContact CD1-CD1 3.49Å; L336-I356 VanDerWaalsContact CD1-CD1 3.49Å; L336-I356 HydrophobicContact CD1-CG1 4.34Å; C347-I356 HydrophobicContact CB-CG2 3.95Å; M349-I356 HydrophobicContact CG-CG1 4.37Å
357E90.6Very high86.1Confident112 Ų11289.1 Ų89.152%0.52346%0.46SS..EExtended strand (participates in β ladder)trans-105.3125.7174.7-65.1-174.8163.500109.6C347 K348 I355C347-E357 CarbonylContact C-O 3.56Å; C347-E357 VanDerWaalsContact CA-O 3.3Å; C347-E357 WeakPolarHBondContact CA-O 3.48Å; C347-E357 WeakPolarHBondContact CB-O 3.39Å; K348-E357 PolarHBondContact N-O 3.49Å; K348-E357 PolarHBondContact O-N 2.93Å; I355-E357 HydrophobicContact CG2-CG 4.23Å
358T88.5Confident86.2Confident27 Ų2795.5 Ų95.517%0.16648%0.484CS..EExtended strand (participates in β ladder)trans-82.7130175.762.10000109.9L310 Y313 S314L310-T358 HydrophobicContact CB-CG2 3.93Å; L310-T358 HydrophobicContact CD2-CG2 4.14Å; L310-T358 WeakPolarHBondContact O-CG2 3.42Å; Y313-T358 VanDerWaalsContact O-CG2 3.28Å; Y313-T358 WeakPolarHBondContact O-CG2 3.48Å; Y313-T358 PolarHBondContact O-OG1 3.22Å; Y313-T358 VanDerWaalsContact O-OG1 3.1Å; S314-T358 WeakPolarHBondContact CA-OG1 3.46Å; S314-T358 PolarHBondContact O-N 3.43Å; S314-T358 PolarHBondContact O-OG1 2.93Å
359T84.5Confident86.1Confident56 Ų5693.2 Ų93.234%0.34448%0.476SS..  trans-96134.8169.654.70000108.5A346 K348 P361A346-T359 VanDerWaalsContact CB-O 3.28Å; A346-T359 WeakPolarHBondContact CB-O 3.46Å; A346-T359 PolarHBondContact O-N 3.16Å; A346-T359 PolarHBondContact O-OG1 3.34Å; K348-T359 HydrophobicContact CD-CG2 3.96Å; K348-T359 HydrophobicContact CG-CG2 4.05Å; T359-P361 WeakPolarHBondContact O-CD 3.38Å
360R78.5Confident86Confident204 Ų20492.6 Ų92.677%0.7748%0.476SS*.  trans-98.594.6171.8-67.3-178.1-179.3176.8-0.3107.6
361P72.3Confident86.1Confident77 Ų7796.1 Ų96.150%0.549%0.492SS..  trans-67137177.427.5-33.7000109.2A346 T359 N363A346-P361 HydrophobicContact CB-CG 3.98Å; T359-P361 WeakPolarHBondContact O-CD 3.38Å; P361-N363 PolarHBondContact O-N 3.05Å
362D76.6Confident86.4Confident125 Ų12592 Ų9267%0.66848%0.476SS*.  trans-58.1134.3171.7-66.5-42.3000110V364 N365 F366D362-V364 PolarHBondContact O-N 2.89Å; D362-V364 VanDerWaalsContact O-N 3.12Å; D362-N365 WeakPolarHBondContact O-CB 3.48Å; D362-N365 PolarHBondContact O-N 3.23Å; D362-F366 PolarHBondContact O-N 2.78Å
363N83.4Confident86.5Confident109 Ų10991.8 Ų91.858%0.58346%0.464SS*.Hα-helixtrans-54.5-35.2-179.8-1695.7000111.5P361 N365 F366 Q367P361-N363 PolarHBondContact O-N 3.05Å; N363-N365 PolarHBondContact O-N 2.88Å; N363-F366 PolarHBondContact O-N 2.82Å; N363-Q367 VanDerWaalsContact CG-NE2 3.33Å; N363-Q367 PolarHBondContact ND2-NE2 3.29Å; N363-Q367 WeakPolarHBondContact O-CB 3.39Å; N363-Q367 VanDerWaalsContact O-CG 3.3Å; N363-Q367 WeakPolarHBondContact O-CG 3.25Å; N363-Q367 PolarHBondContact O-N 3.41Å; N363-Q367 PolarHBondContact OD1-NE2 2.91Å
364V88.4Confident86.7Confident112 Ų11294.5 Ų94.568%0.67947%0.468SS*.Hα-helixtrans-61.5-42.7176.9-177.60000111.7D362 Q367 Y368D362-V364 PolarHBondContact O-N 2.89Å; D362-V364 VanDerWaalsContact O-N 3.12Å; V364-Q367 PolarHBondContact O-N 3.3Å; V364-Y368 VanDerWaalsContact O-CB 3.24Å; V364-Y368 WeakPolarHBondContact O-CB 3.47Å; V364-Y368 PolarHBondContact O-N 3.22Å
365N85.3Confident87.1Confident86 Ų8694.7 Ų94.746%0.4647%0.47SS..Hα-helixtrans-67.7-41.3-179.9-169.18.1000111.1D362 N363 Y368 Q369D362-N365 WeakPolarHBondContact O-CB 3.48Å; D362-N365 PolarHBondContact O-N 3.23Å; N363-N365 PolarHBondContact O-N 2.88Å; N365-Y368 PolarHBondContact O-N 3.44Å; N365-Q369 WeakPolarHBondContact O-CB 3.35Å; N365-Q369 VanDerWaalsContact O-CG 3.31Å; N365-Q369 WeakPolarHBondContact O-CG 3.18Å; N365-Q369 PolarHBondContact O-N 2.98Å
366F83Confident87.3Confident132 Ų13295.5 Ų95.558%0.57948%0.475SS*.Hα-helixtrans-62.2-45.5174.9179.3-97.7000112.3D362 N363 Q369 T370D362-F366 PolarHBondContact O-N 2.78Å; N363-F366 PolarHBondContact O-N 2.82Å; F366-Q369 PolarHBondContact O-N 3.05Å; F366-T370 WeakPolarHBondContact O-CB 3.24Å; F366-T370 PolarHBondContact O-N 3.5Å; F366-T370 PolarHBondContact O-OG1 3.12Å
367Q88.3Confident87.4Confident110 Ų11099.8 Ų99.851%0.51450%0.497SS..Hα-helixtrans-63-43.4176.9-72.7176.622.800111.7N363 V364 T370 M371N363-Q367 VanDerWaalsContact CG-NE2 3.33Å; N363-Q367 PolarHBondContact ND2-NE2 3.29Å; N363-Q367 WeakPolarHBondContact O-CB 3.39Å; N363-Q367 VanDerWaalsContact O-CG 3.3Å; N363-Q367 WeakPolarHBondContact O-CG 3.25Å; N363-Q367 PolarHBondContact O-N 3.41Å; N363-Q367 PolarHBondContact OD1-NE2 2.91Å; V364-Q367 PolarHBondContact O-N 3.3Å; Q367-T370 PolarHBondContact O-N 2.77Å; Q367-M371 WeakPolarHBondContact O-CB 2.85Å; Q367-M371 PolarHBondContact O-N 3.09Å
368Y90.8Very high87.6Confident140 Ų14099.2 Ų99.255%0.54950%0.497SS..Hα-helixtrans-59.9-48.8177.2180-106000112.1V364 N365 T370 M371 I372V364-Y368 VanDerWaalsContact O-CB 3.24Å; V364-Y368 WeakPolarHBondContact O-CB 3.47Å; V364-Y368 PolarHBondContact O-N 3.22Å; N365-Y368 PolarHBondContact O-N 3.44Å; Y368-T370 VanDerWaalsContact C-N 3.28Å; Y368-T370 PolarHBondContact O-N 2.99Å; Y368-M371 PolarHBondContact O-N 3.25Å; Y368-I372 HydrophobicContact CD1-CD1 3.86Å; Y368-I372 HydrophobicContact CE1-CD1 3.32Å; Y368-I372 HydrophobicContact CE1-CG1 4.45Å; Y368-I372 HydrophobicContact CE2-CD1 4.12Å; Y368-I372 HydrophobicContact CG-CD1 4.46Å; Y368-I372 VanDerWaalsContact CZ-CD1 3.47Å; Y368-I372 WeakPolarHBondContact O-CG1 3.48Å; Y368-I372 PolarHBondContact O-N 3.28Å
369Q86.7Confident87.9Confident89 Ų89103.2 Ų103.242%0.41652%0.516SS..Hα-helixtrans-60.8-38.5175.8-72.4-68-19.800112.3N365 F366 K373N365-Q369 WeakPolarHBondContact O-CB 3.35Å; N365-Q369 VanDerWaalsContact O-CG 3.31Å; N365-Q369 WeakPolarHBondContact O-CG 3.18Å; N365-Q369 PolarHBondContact O-N 2.98Å; F366-Q369 PolarHBondContact O-N 3.05Å; Q369-K373 WeakPolarHBondContact O-CG 3.49Å; Q369-K373 PolarHBondContact O-N 3.47Å
370T87.5Confident88.4Confident45 Ų45104.9 Ų104.928%0.27652%0.524SS..Hα-helixtrans-67.2-42.5176.9-57.10000111.3F366 Q367 Y368 K373 Q374F366-T370 WeakPolarHBondContact O-CB 3.24Å; F366-T370 PolarHBondContact O-N 3.5Å; F366-T370 PolarHBondContact O-OG1 3.12Å; Q367-T370 PolarHBondContact O-N 2.77Å; Y368-T370 VanDerWaalsContact C-N 3.28Å; Y368-T370 PolarHBondContact O-N 2.99Å; T370-K373 PolarHBondContact O-N 2.75Å; T370-Q374 HydrophobicContact CG2-CG 4.48Å; T370-Q374 WeakPolarHBondContact O-CG 3.24Å; T370-Q374 PolarHBondContact O-N 3.38Å
371M92.3Very high89Confident141 Ų141103.2 Ų103.270%0.69552%0.517SS*.Hα-helixtrans-61.6-44.5178.3-176.1-178.617900111.6Q367 Y368 Q374 G375Q367-M371 WeakPolarHBondContact O-CB 2.85Å; Q367-M371 PolarHBondContact O-N 3.09Å; Y368-M371 PolarHBondContact O-N 3.25Å; M371-Q374 PolarHBondContact O-N 3.36Å; M371-G375 PolarHBondContact O-N 3.25Å
372I93.2Very high90.1Very high63 Ų63103.8 Ų103.832%0.32352%0.515SS..Hα-helixtrans-60.3-50.5176.1-68.3169.2000110.3Y368 Q374 G375 D376Y368-I372 HydrophobicContact CD1-CD1 3.86Å; Y368-I372 HydrophobicContact CE1-CD1 3.32Å; Y368-I372 HydrophobicContact CE1-CG1 4.45Å; Y368-I372 HydrophobicContact CE2-CD1 4.12Å; Y368-I372 HydrophobicContact CG-CD1 4.46Å; Y368-I372 VanDerWaalsContact CZ-CD1 3.47Å; Y368-I372 WeakPolarHBondContact O-CG1 3.48Å; Y368-I372 PolarHBondContact O-N 3.28Å; I372-Q374 VanDerWaalsContact C-N 3.34Å; I372-Q374 PolarHBondContact O-N 2.96Å; I372-G375 PolarHBondContact O-N 3.41Å; I372-G375 VanDerWaalsContact O-N 3.13Å; I372-D376 PolarHBondContact O-N 3.37Å
373K90.2Very high90.9Very high137 Ų137103 Ų10360%0.59651%0.508SS*.Hα-helixtrans-59.4-43.6-178.8-72.1175.7-177.1-179.70112.5Q369 T370 I377Q369-K373 WeakPolarHBondContact O-CG 3.49Å; Q369-K373 PolarHBondContact O-N 3.47Å; T370-K373 PolarHBondContact O-N 2.75Å; K373-I377 WeakPolarHBondContact O-CG1 3.31Å; K373-I377 PolarHBondContact O-N 2.98Å
374Q92Very high91.3Very high130 Ų130105 Ų10561%0.60751%0.511SS*.Hα-helixtrans-68.8-38.8176.7-71.1-179.4-8.800111.7T370 M371 I372 I377 L378T370-Q374 HydrophobicContact CG2-CG 4.48Å; T370-Q374 WeakPolarHBondContact O-CG 3.24Å; T370-Q374 PolarHBondContact O-N 3.38Å; M371-Q374 PolarHBondContact O-N 3.36Å; I372-Q374 VanDerWaalsContact C-N 3.34Å; I372-Q374 PolarHBondContact O-N 2.96Å; Q374-I377 PolarHBondContact O-N 3.02Å; Q374-L378 PolarHBondContact O-N 2.87Å
375G95.1Very high91.5Very high27 Ų27104.9 Ų104.928%0.27851%0.506SS..Hα-helixtrans-59.5-46.5175.100000112.4M371 I372 I377 L378 L379M371-G375 PolarHBondContact O-N 3.25Å; I372-G375 PolarHBondContact O-N 3.41Å; I372-G375 VanDerWaalsContact O-N 3.13Å; G375-I377 PolarHBondContact O-N 3.22Å; G375-L378 PolarHBondContact O-N 2.82Å; G375-L378 VanDerWaalsContact O-N 3.17Å; G375-L379 WeakPolarHBondContact O-CB 3.49Å; G375-L379 WeakPolarHBondContact O-CG 3.36Å; G375-L379 PolarHBondContact O-N 2.94Å
376D95.1Very high91.9Very high82 Ų82103 Ų10344%0.43950%0.5SS..Hα-helixtrans-62.2-41.3178.1-72.7-20.4000112.1I372 L378 N380I372-D376 PolarHBondContact O-N 3.37Å; D376-L378 VanDerWaalsContact C-N 3.32Å; D376-L378 PolarHBondContact O-N 3.47Å; D376-N380 WeakPolarHBondContact O-CB 3.39Å; D376-N380 VanDerWaalsContact O-CG 3.31Å; D376-N380 PolarHBondContact O-N 3.2Å; D376-N380 PolarHBondContact O-ND2 3.23Å
377I93.5Very high92.2Very high91 Ų91102.2 Ų102.247%0.46750%0.498SS..Hα-helixtrans-62.6-42.8176-66.8166.4000110.5K373 Q374 G375 R381K373-I377 WeakPolarHBondContact O-CG1 3.31Å; K373-I377 PolarHBondContact O-N 2.98Å; Q374-I377 PolarHBondContact O-N 3.02Å; G375-I377 PolarHBondContact O-N 3.22Å; I377-R381 WeakPolarHBondContact O-CG 3.48Å; I377-R381 PolarHBondContact O-N 3.4Å; I377-R381 VanDerWaalsContact O-N 3.16Å
378L94.8Very high92.4Very high101 Ų101102 Ų10253%0.52950%0.504SS..Hα-helixtrans-65.8-47.6179.1-179.963000111.5Q374 G375 D376 N380 R381 I382Q374-L378 PolarHBondContact O-N 2.87Å; G375-L378 PolarHBondContact O-N 2.82Å; G375-L378 VanDerWaalsContact O-N 3.17Å; D376-L378 VanDerWaalsContact C-N 3.32Å; D376-L378 PolarHBondContact O-N 3.47Å; L378-N380 VanDerWaalsContact C-N 3.33Å; L378-N380 PolarHBondContact O-N 2.82Å; L378-R381 WeakPolarHBondContact O-CB 3.48Å; L378-R381 PolarHBondContact O-N 3.13Å; L378-R381 VanDerWaalsContact O-N 3.09Å; L378-I382 HydrophobicContact CD1-CD1 4.16Å; L378-I382 HydrophobicContact CD1-CG1 4.37Å; L378-I382 HydrophobicContact CG-CD1 3.89Å; L378-I382 HydrophobicContact CG-CG1 4.49Å; L378-I382 WeakPolarHBondContact O-CG1 3.37Å; L378-I382 PolarHBondContact O-N 3Å
379L95Very high92.5Very high110 Ų110101.4 Ų101.458%0.57651%0.509SS*.Hα-helixtrans-58-45.5177.9-74.3173000111.4G375 R381 I382 Q383G375-L379 WeakPolarHBondContact O-CB 3.49Å; G375-L379 WeakPolarHBondContact O-CG 3.36Å; G375-L379 PolarHBondContact O-N 2.94Å; L379-R381 VanDerWaalsContact C-N 3.29Å; L379-R381 PolarHBondContact O-N 3.2Å; L379-I382 PolarHBondContact O-N 2.84Å; L379-Q383 WeakPolarHBondContact O-CB 3.46Å; L379-Q383 PolarHBondContact O-N 3.13Å
380N94.5Very high92.5Very high92 Ų92103.9 Ų103.949%0.49253%0.525SS..Hα-helixtrans-60.8-36.6176.3-78.5-50.5000112.8D376 L378 K384D376-N380 WeakPolarHBondContact O-CB 3.39Å; D376-N380 VanDerWaalsContact O-CG 3.31Å; D376-N380 PolarHBondContact O-N 3.2Å; D376-N380 PolarHBondContact O-ND2 3.23Å; L378-N380 VanDerWaalsContact C-N 3.33Å; L378-N380 PolarHBondContact O-N 2.82Å; N380-K384 WeakPolarHBondContact O-CG 3.3Å; N380-K384 PolarHBondContact O-N 2.86Å
381R92.2Very high92Very high168 Ų168111 Ų11163%0.63456%0.559SS**Hα-helixtrans-69.4-44.2175.1-73.4178.9-171.8-179.93111.8I377 L378 L379 Q383 K384 L385I377-R381 WeakPolarHBondContact O-CG 3.48Å; I377-R381 PolarHBondContact O-N 3.4Å; I377-R381 VanDerWaalsContact O-N 3.16Å; L378-R381 WeakPolarHBondContact O-CB 3.48Å; L378-R381 PolarHBondContact O-N 3.13Å; L378-R381 VanDerWaalsContact O-N 3.09Å; L379-R381 VanDerWaalsContact C-N 3.29Å; L379-R381 PolarHBondContact O-N 3.2Å; R381-Q383 VanDerWaalsContact C-N 3.31Å; R381-Q383 PolarHBondContact O-N 2.84Å; R381-K384 PolarHBondContact O-N 2.85Å; R381-L385 WeakPolarHBondContact O-CG 3.33Å; R381-L385 PolarHBondContact O-N 3.02Å
382I94Very high92Very high90 Ų90109.6 Ų109.646%0.46255%0.553SS.*Hα-helixtrans-60.6-43.9177.6-68.1169.6000110.1L378 L379 K384 L385 S386L378-I382 HydrophobicContact CD1-CD1 4.16Å; L378-I382 HydrophobicContact CD1-CG1 4.37Å; L378-I382 HydrophobicContact CG-CD1 3.89Å; L378-I382 HydrophobicContact CG-CG1 4.49Å; L378-I382 WeakPolarHBondContact O-CG1 3.37Å; L378-I382 PolarHBondContact O-N 3Å; L379-I382 PolarHBondContact O-N 2.84Å; I382-K384 PolarHBondContact O-N 2.88Å; I382-L385 PolarHBondContact O-N 2.73Å; I382-S386 PolarHBondContact O-N 2.79Å
383Q93Very high91.9Very high109 Ų109112 Ų11251%0.50957%0.565SS.*Hα-helixtrans-59.6-46.1177.9-173178.15.300111.7L379 R381 L385 S386 Q387L379-Q383 WeakPolarHBondContact O-CB 3.46Å; L379-Q383 PolarHBondContact O-N 3.13Å; R381-Q383 VanDerWaalsContact C-N 3.31Å; R381-Q383 PolarHBondContact O-N 2.84Å; Q383-L385 PolarHBondContact O-N 3.44Å; Q383-S386 PolarHBondContact O-N 3.11Å; Q383-S386 PolarHBondContact O-OG 2.87Å; Q383-Q387 PolarHBondContact O-N 2.94Å; Q383-Q387 VanDerWaalsContact O-N 3.13Å
384K92.8Very high92Very high151 Ų151110.6 Ų110.666%0.65756%0.563SS**Hα-helixtrans-61.7-43.3175.5-74-178.5179.2-175.90112.3N380 R381 I382 Q387 V388N380-K384 WeakPolarHBondContact O-CG 3.3Å; N380-K384 PolarHBondContact O-N 2.86Å; R381-K384 PolarHBondContact O-N 2.85Å; I382-K384 PolarHBondContact O-N 2.88Å; K384-Q387 PolarHBondContact O-N 2.61Å; K384-V388 WeakPolarHBondContact O-CG2 3.35Å; K384-V388 PolarHBondContact O-N 3.35Å
385L93.3Very high92Very high108 Ų108109.5 Ų109.557%0.56556%0.56SS**Hα-helixtrans-63-42.9176.8-72.7168.8000111.7R381 I382 Q383 Q387 V388 I389R381-L385 WeakPolarHBondContact O-CG 3.33Å; R381-L385 PolarHBondContact O-N 3.02Å; I382-L385 PolarHBondContact O-N 2.73Å; Q383-L385 PolarHBondContact O-N 3.44Å; L385-Q387 VanDerWaalsContact C-N 3.28Å; L385-Q387 PolarHBondContact O-N 3.19Å; L385-V388 PolarHBondContact O-N 3.06Å; L385-V388 VanDerWaalsContact O-N 3.16Å; L385-I389 VanDerWaalsContact O-CG1 3.26Å; L385-I389 WeakPolarHBondContact O-CG1 3.49Å; L385-I389 PolarHBondContact O-N 2.82Å
386S92.5Very high91.8Very high48 Ų48114.6 Ų114.634%0.33658%0.578SS.*Hα-helixtrans-62.5-34.9178.170.20000112.8I382 Q383 N390I382-S386 PolarHBondContact O-N 2.79Å; Q383-S386 PolarHBondContact O-N 3.11Å; Q383-S386 PolarHBondContact O-OG 2.87Å; S386-N390 VanDerWaalsContact O-CB 3.3Å; S386-N390 WeakPolarHBondContact O-CB 3.39Å; S386-N390 PolarHBondContact O-N 3.41Å; S386-N390 PolarHBondContact O-ND2 2.92Å
387Q90.6Very high91.6Very high115 Ų115116.8 Ų116.854%0.53759%0.587SS.*Hα-helixtrans-67.7-38.2176-75.1178.1-12.500111.6Q383 K384 L385 I391Q383-Q387 PolarHBondContact O-N 2.94Å; Q383-Q387 VanDerWaalsContact O-N 3.13Å; K384-Q387 PolarHBondContact O-N 2.61Å; L385-Q387 VanDerWaalsContact C-N 3.28Å; L385-Q387 PolarHBondContact O-N 3.19Å; Q387-I391 WeakPolarHBondContact O-CD1 3.18Å; Q387-I391 WeakPolarHBondContact O-CG1 3.42Å
388V92.5Very high91.5Very high106 Ų106118.6 Ų118.664%0.64260%0.596SS**Hα-helixtrans-72.7-34.9177.81760000111.9K384 L385K384-V388 WeakPolarHBondContact O-CG2 3.35Å; K384-V388 PolarHBondContact O-N 3.35Å; L385-V388 PolarHBondContact O-N 3.06Å; L385-V388 VanDerWaalsContact O-N 3.16Å
389I91.8Very high91.2Very high127 Ų127120 Ų12065%0.65160%0.601SS**Hα-helixtrans-76.5-31.2-179.1-66.7165.8000112.2L385L385-I389 VanDerWaalsContact O-CG1 3.26Å; L385-I389 WeakPolarHBondContact O-CG1 3.49Å; L385-I389 PolarHBondContact O-N 2.82Å
390N87Confident90.9Very high140 Ų140120.8 Ų120.875%0.74960%0.603SS**  trans-81.6-12.8-178.5-73.1-21.8000113.9S386S386-N390 VanDerWaalsContact O-CB 3.3Å; S386-N390 WeakPolarHBondContact O-CB 3.39Å; S386-N390 PolarHBondContact O-N 3.41Å; S386-N390 PolarHBondContact O-ND2 2.92Å
391I76.4Confident90.6Very high196 Ų196123.5 Ų123.5100%1.00561%0.613SS**  trans-86.70168.2-61.9166.1000107.6Q387Q387-I391 WeakPolarHBondContact O-CD1 3.18Å; Q387-I391 WeakPolarHBondContact O-CG1 3.42Å

Retrieved 391 of 391 residues in 520 ms (Link to these results)

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