A0A5K4F7E9_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F7E9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 428 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
1M35.3Very low45.4Very low247 Ų247137.5 Ų137.5100%1.21776%0.761SS**  0940-77.9-172.9160.200107.6
2T46.4Very low45.5Very low136 Ų136138.8 Ų138.883%0.83476%0.757SS**  trans-109.8131.1155.328.50000105.6
3P39.8Very low45.5Very low113 Ų113141.9 Ų141.973%0.73475%0.751SS**SBendtrans-74.6147.9177.631-26.6000108.3
4D50.3Low45.6Very low150 Ų150142.7 Ų142.780%0.80275%0.748SS**  trans90.283.6-178.7-50.4-24000114.4L6D4-L6 VanDerWaalsContact C-N 3.26Å; D4-L6 PolarHBondContact O-N 2.64Å
5G45.5Very low45.5Very low86 Ų86142.5 Ų142.589%0.88775%0.747SS**  trans-76.166.9175.400000113.2
6L46.7Very low44.8Very low148 Ų148137.1 Ų137.178%0.77574%0.737SS**  trans-98.392.7164.3-78.1157.1000107.7D4 D8D4-L6 VanDerWaalsContact C-N 3.26Å; D4-L6 PolarHBondContact O-N 2.64Å; L6-D8 PolarHBondContact O-N 2.62Å
7I47.4Very low44.3Very low150 Ų150135.5 Ų135.577%0.76974%0.737SS**  trans-75.5107.3158.2-62.2168.7000103.9E9I7-E9 PolarHBondContact O-N 2.93Å
8D45Very low43.9Very low98 Ų98131.7 Ų131.752%0.52473%0.727SS.*  trans-54111.9177.4-79.4-38000109.7L6 D10 F11L6-D8 PolarHBondContact O-N 2.62Å; D8-D10 PolarHBondContact O-N 3.37Å; D8-F11 PolarHBondContact O-N 3.37Å
9E48Very low43.5Very low149 Ų149129.8 Ų129.870%0.69673%0.73SS**Hα-helixtrans-57.8-14169.8-71.7-175166.400112.2I7I7-E9 PolarHBondContact O-N 2.93Å
10D51.9Low43.7Very low103 Ų103128.2 Ų128.255%0.55172%0.715SS**Hα-helixtrans-76.9-23.4175.6-72.8-24.1000113.2D8 R13 E14D8-D10 PolarHBondContact O-N 3.37Å; D10-R13 PolarHBondContact O-N 3.26Å; D10-R13 IonicContact OD1-NH1 2.96Å; D10-E14 PolarHBondContact O-N 3.44Å; D10-E14 VanDerWaalsContact O-N 3.15Å
11F43.4Very low43.7Very low133 Ų133131.3 Ų131.358%0.58372%0.724SS**Hα-helixtrans-72.5-35.3176.3-118.9-87.9000112.2D8 R13 E14 L15D8-F11 PolarHBondContact O-N 3.37Å; F11-R13 VanDerWaalsContact C-N 3.34Å; F11-E14 PolarHBondContact O-N 2.93Å; F11-L15 HydrophobicContact CD1-CD1 4.45Å; F11-L15 PolarHBondContact O-N 3.03Å; F11-L15 VanDerWaalsContact O-N 3.13Å
12E46.1Very low44.7Very low153 Ų153123.8 Ų123.872%0.71569%0.688SS**Hα-helixtrans-72.5-27.1174.7-69.3-163.8166.700112.3G16E12-G16 PolarHBondContact O-N 3.26Å; E12-G16 VanDerWaalsContact O-N 3.12Å
13R46.2Very low46.3Very low179 Ų179119.9 Ų119.968%0.67567%0.666SS**Hα-helixtrans-73.4-31.9172.6-80.9-178.4178.2135.44.9113.3D10 F11D10-R13 PolarHBondContact O-N 3.26Å; D10-R13 IonicContact OD1-NH1 2.96Å; F11-R13 VanDerWaalsContact C-N 3.34Å
14E45.7Very low48.3Very low153 Ų153119.1 Ų119.172%0.71566%0.659SS**Hα-helixtrans-76-30.4172.9-79.8-170.7155.600113D10 F11 G16D10-E14 PolarHBondContact O-N 3.44Å; D10-E14 VanDerWaalsContact O-N 3.15Å; F11-E14 PolarHBondContact O-N 2.93Å; E14-G16 VanDerWaalsContact C-N 3.32Å
15L44.6Very low50.1Low140 Ų140113.7 Ų113.773%0.73363%0.629SS**Hα-helixtrans-78.5-13.9172.7-76.8159.4000113.6F11 C17F11-L15 HydrophobicContact CD1-CD1 4.45Å; F11-L15 PolarHBondContact O-N 3.03Å; F11-L15 VanDerWaalsContact O-N 3.13Å; L15-C17 VanDerWaalsContact C-N 3.34Å; L15-C17 PolarHBondContact O-N 3.32Å
16G33.9Very low51.9Low56 Ų56113.1 Ų113.158%0.57761%0.606SS**THydrogen-bonded Turntrans-79.7-0.6-179.200000116.1E12 E14 A18E12-G16 PolarHBondContact O-N 3.26Å; E12-G16 VanDerWaalsContact O-N 3.12Å; E14-G16 VanDerWaalsContact C-N 3.32Å; G16-A18 VanDerWaalsContact C-N 3.32Å; G16-A18 PolarHBondContact O-N 3.12Å
17C36.9Very low53.7Low110 Ų110109.2 Ų109.274%0.74359%0.588SS**SBendtrans-67.594.9164.2-89.80000108.1L15 A19L15-C17 VanDerWaalsContact C-N 3.34Å; L15-C17 PolarHBondContact O-N 3.32Å; C17-A19 VanDerWaalsContact C-N 3.28Å; C17-A19 PolarHBondContact O-N 2.81Å
18A37.1Very low55.6Low67 Ų67102.7 Ų102.755%0.55455%0.554SS**  trans-49.184.6-178.500000112.9G16 K20 R277G16-A18 VanDerWaalsContact C-N 3.32Å; G16-A18 PolarHBondContact O-N 3.12Å; A18-K20 VanDerWaalsContact C-N 3.34Å; A18-K20 PolarHBondContact O-N 2.92Å; A18-R277 PolarHBondContact O-NH2 3.21Å
19A36.7Very low57.6Low95 Ų95100.3 Ų100.379%0.78554%0.542SS*.  trans-53.7103165.500000105.9C17 E21C17-A19 VanDerWaalsContact C-N 3.28Å; C17-A19 PolarHBondContact O-N 2.81Å; A19-E21 PolarHBondContact O-N 3.07Å; A19-E21 VanDerWaalsContact O-N 3.14Å
20K47.2Very low59.5Low97 Ų9795.5 Ų95.542%0.42252%0.524SS..  trans-57.5121.4176.8-157.6171.3-176-174.10104.8A18 L22 R277A18-K20 VanDerWaalsContact C-N 3.34Å; A18-K20 PolarHBondContact O-N 2.92Å; K20-L22 HydrophobicContact CB-CD1 4.26Å; K20-L22 PolarHBondContact O-N 3.35Å; K20-R277 VanDerWaalsContact CA-NH2 3.27Å; K20-R277 HydrophobicContact CD-CG 4.27Å; K20-R277 PolarHBondContact NZ-O 2.76Å
21E44.3Very low61.2Low194 Ų19494.9 Ų94.991%0.90752%0.521SS*.  trans-60.293.2161.3-77.5-174.7164.100105.6A19 S23A19-E21 PolarHBondContact O-N 3.07Å; A19-E21 VanDerWaalsContact O-N 3.14Å; E21-S23 PolarHBondContact O-N 3.09Å
22L55.8Low63.5Low89 Ų8989.6 Ų89.647%0.46650%0.498SS..  trans-60130.9171-96.482.2000106.1K20 D26 V27K20-L22 HydrophobicContact CB-CD1 4.26Å; K20-L22 PolarHBondContact O-N 3.35Å; L22-D26 HydrophobicContact CB-CB 4Å; L22-D26 HydrophobicContact CD2-CB 3.84Å; L22-D26 HydrophobicContact CG-CB 3.85Å; L22-V27 HydrophobicContact CB-CG2 3.75Å; L22-V27 HydrophobicContact CD2-CG2 3.98Å
23S79.1Confident65.4Low54 Ų5482.9 Ų82.938%0.37847%0.467SS..  trans-61.9155.8168.471.50000109E21 Q25 D26 V27E21-S23 PolarHBondContact O-N 3.09Å; S23-Q25 PolarHBondContact O-N 2.79Å; S23-Q25 VanDerWaalsContact O-N 3.12Å; S23-D26 VanDerWaalsContact CB-OD2 3.29Å; S23-D26 WeakPolarHBondContact CB-OD2 2.92Å; S23-D26 PolarHBondContact N-OD2 2.93Å; S23-D26 WeakPolarHBondContact O-CB 3.37Å; S23-D26 PolarHBondContact O-N 3.08Å; S23-D26 PolarHBondContact OG-N 3.16Å; S23-D26 VanDerWaalsContact OG-N 3.1Å; S23-D26 PolarHBondContact OG-OD2 3.21Å; S23-V27 PolarHBondContact O-N 3.37Å; S23-V27 VanDerWaalsContact O-N 3.11Å
24V83Confident67.1Low97 Ų9775.5 Ų75.559%0.58844%0.441SS*.Hα-helixtrans-52.8-36.9174.9176.80000110.7V27 I28 Q82V24-V27 PolarHBondContact O-N 3.18Å; V24-I28 HydrophobicContact CG1-CD1 3.92Å; V24-I28 WeakPolarHBondContact O-CD1 3.4Å; V24-I28 VanDerWaalsContact O-CG1 3.25Å; V24-I28 WeakPolarHBondContact O-CG1 3.47Å; V24-I28 PolarHBondContact O-N 3.16Å; V24-Q82 HydrophobicContact CG1-CB 4.23Å
25Q87.3Confident69Low36 Ų3668.2 Ų68.217%0.16841%0.407CS..Hα-helixtrans-67.7-38.4175.9-170.962.848.100112.6S23 V27 I28 D29 Y75 T79S23-Q25 PolarHBondContact O-N 2.79Å; S23-Q25 VanDerWaalsContact O-N 3.12Å; Q25-V27 VanDerWaalsContact C-N 3.31Å; Q25-V27 PolarHBondContact O-N 2.69Å; Q25-I28 PolarHBondContact O-N 3.49Å; Q25-D29 PolarHBondContact NE2-OD1 2.77Å; Q25-D29 WeakPolarHBondContact O-CB 3.12Å; Q25-D29 VanDerWaalsContact O-CG 3.25Å; Q25-D29 PolarHBondContact O-N 2.95Å; Q25-Y75 PolarHBondContact NE2-OH 2.66Å; Q25-T79 PolarHBondContact NE2-OG1 2.83Å; Q25-T79 VanDerWaalsContact OE1-CG2 3.24Å
26D83.3Confident71Confident75 Ų7562.8 Ų62.840%0.40138%0.381SS..Hα-helixtrans-63.3-39.4177-63.3-52.3000111.3L22 S23 D29 S30L22-D26 HydrophobicContact CB-CB 4Å; L22-D26 HydrophobicContact CD2-CB 3.84Å; L22-D26 HydrophobicContact CG-CB 3.85Å; S23-D26 VanDerWaalsContact CB-OD2 3.29Å; S23-D26 WeakPolarHBondContact CB-OD2 2.92Å; S23-D26 PolarHBondContact N-OD2 2.93Å; S23-D26 WeakPolarHBondContact O-CB 3.37Å; S23-D26 PolarHBondContact O-N 3.08Å; S23-D26 PolarHBondContact OG-N 3.16Å; S23-D26 VanDerWaalsContact OG-N 3.1Å; S23-D26 PolarHBondContact OG-OD2 3.21Å; D26-D29 PolarHBondContact O-N 3.38Å; D26-S30 WeakPolarHBondContact O-CB 3.2Å; D26-S30 PolarHBondContact O-N 3.13Å; D26-S30 PolarHBondContact O-OG 2.84Å
27V84.8Confident73.2Confident65 Ų6564.4 Ų64.439%0.39437%0.37SS..Hα-helixtrans-62.9-48.2175.1-178.60000109.8L22 S23 V24 Q25 D29 S30 D31L22-V27 HydrophobicContact CB-CG2 3.75Å; L22-V27 HydrophobicContact CD2-CG2 3.98Å; S23-V27 PolarHBondContact O-N 3.37Å; S23-V27 VanDerWaalsContact O-N 3.11Å; V24-V27 PolarHBondContact O-N 3.18Å; Q25-V27 VanDerWaalsContact C-N 3.31Å; Q25-V27 PolarHBondContact O-N 2.69Å; V27-D29 PolarHBondContact O-N 2.96Å; V27-S30 PolarHBondContact O-N 3.43Å; V27-S30 PolarHBondContact O-OG 3.48Å; V27-D31 PolarHBondContact O-N 3.32Å; V27-D31 VanDerWaalsContact O-N 3.16Å
28I87.9Confident75.5Confident13 Ų1362 Ų627%0.06735%0.349CS..Hα-helixtrans-61-46176.5-63.4162.5000110.4V24 Q25 S30 D31 Y32 Y75 K78V24-I28 HydrophobicContact CG1-CD1 3.92Å; V24-I28 WeakPolarHBondContact O-CD1 3.4Å; V24-I28 VanDerWaalsContact O-CG1 3.25Å; V24-I28 WeakPolarHBondContact O-CG1 3.47Å; V24-I28 PolarHBondContact O-N 3.16Å; Q25-I28 PolarHBondContact O-N 3.49Å; I28-S30 PolarHBondContact O-N 3.37Å; I28-D31 PolarHBondContact O-N 3.48Å; I28-D31 VanDerWaalsContact O-N 3.07Å; I28-Y32 HydrophobicContact CG2-CD2 4.05Å; I28-Y32 HydrophobicContact CG2-CE2 4.38Å; I28-Y32 VanDerWaalsContact O-CD2 3.27Å; I28-Y32 WeakPolarHBondContact O-CD2 3.5Å; I28-Y32 PolarHBondContact O-N 2.78Å; I28-Y32 VanDerWaalsContact O-N 3.15Å; I28-Y75 HydrophobicContact CG2-CD2 3.77Å; I28-Y75 HydrophobicContact CG2-CE2 3.77Å; I28-K78 HydrophobicContact CD1-CB 4.19Å; I28-K78 WeakPolarHBondContact CD1-O 3.36Å; I28-K78 HydrophobicContact CG1-CB 4.22Å; I28-K78 HydrophobicContact CG2-CB 3.99Å
29D87.2Confident77.9Confident48 Ų4859.2 Ų59.226%0.25733%0.327SS..Hα-helixtrans-63.8-30.8-178.6-73-16.6000112.3Q25 D26 V27 Y32 S36 Y75Q25-D29 PolarHBondContact NE2-OD1 2.77Å; Q25-D29 WeakPolarHBondContact O-CB 3.12Å; Q25-D29 VanDerWaalsContact O-CG 3.25Å; Q25-D29 PolarHBondContact O-N 2.95Å; D26-D29 PolarHBondContact O-N 3.38Å; V27-D29 PolarHBondContact O-N 2.96Å; D29-Y32 CarbonylContact O-C 3.56Å; D29-S36 PolarHBondContact O-OG 3.19Å; D29-S36 WeakPolarHBondContact OD1-CB 3.34Å; D29-Y75 VanDerWaalsContact OD1-CE2 3.28Å; D29-Y75 WeakPolarHBondContact OD1-CE2 3.49Å; D29-Y75 PolarHBondContact OD1-OH 2.93Å
30S86.3Confident80.3Confident48 Ų4854.8 Ų54.834%0.33629%0.29SS..Hα-helixtrans-70.4-32.5173.471.90000113.6D26 V27 I28 L405D26-S30 WeakPolarHBondContact O-CB 3.2Å; D26-S30 PolarHBondContact O-N 3.13Å; D26-S30 PolarHBondContact O-OG 2.84Å; V27-S30 PolarHBondContact O-N 3.43Å; V27-S30 PolarHBondContact O-OG 3.48Å; I28-S30 PolarHBondContact O-N 3.37Å; S30-L405 VanDerWaalsContact O-CD2 3.23Å; S30-L405 WeakPolarHBondContact O-CD2 3.11Å
31D89.2Confident82.5Confident91 Ų9150.5 Ų50.549%0.48727%0.271SS..Hα-helixtrans-76.7-23.2177.1-73.3-19000112.5V27 I28 P33V27-D31 PolarHBondContact O-N 3.32Å; V27-D31 VanDerWaalsContact O-N 3.16Å; I28-D31 PolarHBondContact O-N 3.48Å; I28-D31 VanDerWaalsContact O-N 3.07Å; D31-P33 VanDerWaalsContact C-CD 3.45Å
32Y90.7Very high84.7Confident22 Ų2243.5 Ų43.59%0.08624%0.239CC..  trans-12954.9-176.1-58.6-98000112.6I28 D29 D34 I35 S36 H71 M74 Y75 K78I28-Y32 HydrophobicContact CG2-CD2 4.05Å; I28-Y32 HydrophobicContact CG2-CE2 4.38Å; I28-Y32 VanDerWaalsContact O-CD2 3.27Å; I28-Y32 WeakPolarHBondContact O-CD2 3.5Å; I28-Y32 PolarHBondContact O-N 2.78Å; I28-Y32 VanDerWaalsContact O-N 3.15Å; D29-Y32 CarbonylContact O-C 3.56Å; Y32-D34 PolarHBondContact O-N 3.4Å; Y32-I35 PolarHBondContact O-N 2.97Å; Y32-I35 VanDerWaalsContact O-N 3.1Å; Y32-S36 WeakPolarHBondContact O-CB 3.41Å; Y32-S36 PolarHBondContact O-N 3.33Å; Y32-S36 PolarHBondContact O-OG 3.48Å; Y32-S36 VanDerWaalsContact O-OG 3.13Å; Y32-H71 AromaticContact CD1-CD2 3.4Å; Y32-H71 VanDerWaalsContact CD1-CD2 3.4Å; Y32-H71 WeakPolarHBondContact CD1-CD2 3.48Å; Y32-H71 AromaticContact CD1-CE1 3.54Å; Y32-H71 AromaticContact CD1-CG 3.94Å; Y32-H71 AromaticContact CD1-NE2 3.12Å; Y32-H71 WeakPolarHBondContact CD1-NE2 3.03Å; Y32-H71 AromaticContact CE1-CD2 3.39Å; Y32-H71 WeakPolarHBondContact CE1-CD2 3.45Å; Y32-H71 AromaticContact CE1-NE2 3.36Å; Y32-H71 WeakPolarHBondContact CE1-NE2 3.08Å; Y32-M74 HydrophobicContact CE1-CB 3.77Å; Y32-Y75 VanDerWaalsContact CB-CD2 3.45Å; Y32-Y75 HydrophobicContact CD1-CD2 4.39Å; Y32-Y75 AromaticContact CD2-CD2 3.92Å; Y32-Y75 HydrophobicContact CD2-CD2 3.92Å; Y32-Y75 AromaticContact CG-CD2 3.68Å; Y32-Y75 HydrophobicContact CG-CD2 3.68Å; Y32-Y75 HydrophobicContact CG-CG 4.27Å; Y32-K78 HydrophobicContact CE2-CG 4.38Å
33P85.8Confident86.2Confident11 Ų1140.8 Ų40.87%0.07123%0.232CC..Hα-helixtrans-65.1-26.7-171.127.6-35.4000113.4D31 S36 R37D31-P33 VanDerWaalsContact C-CD 3.45Å; P33-S36 WeakPolarHBondContact CA-OG 3.44Å; P33-R37 WeakPolarHBondContact O-CB 3.45Å; P33-R37 WeakPolarHBondContact O-CD 3.4Å; P33-R37 WeakPolarHBondContact O-CG 3.32Å
34D82.1Confident86.6Confident24 Ų2438.6 Ų38.613%0.12822%0.218CC..Hα-helixtrans-69.4-34.2175.661.2-52000113.2Y32 L38 H71 Q402Y32-D34 PolarHBondContact O-N 3.4Å; D34-L38 WeakPolarHBondContact O-CG 3.37Å; D34-H71 IonicContact OD1-CE1 3.12Å; D34-H71 PolarHBondContact OD1-CE1 3.41Å; D34-H71 IonicContact OD1-ND1 3.13Å; D34-H71 PolarHBondContact OD1-ND1 3.16Å; D34-H71 VanDerWaalsContact OD1-ND1 3.13Å; D34-H71 IonicContact OD2-CE1 3.8Å; D34-H71 IonicContact OD2-ND1 2.99Å; D34-H71 PolarHBondContact OD2-ND1 3.07Å; D34-Q402 HydrophobicContact CB-CB 3.82Å; D34-Q402 HydrophobicContact CB-CG 3.51Å; D34-Q402 PolarHBondContact OD2-NE2 2.78Å
35I87Confident86.8Confident1 Ų135.8 Ų35.81%0.00521%0.208CC..Hα-helixtrans-90.9-43.5-179.5-51.7-58000111Y32 R37 L38 I67 L72 Y75Y32-I35 PolarHBondContact O-N 2.97Å; Y32-I35 VanDerWaalsContact O-N 3.1Å; I35-R37 VanDerWaalsContact C-N 3.32Å; I35-R37 PolarHBondContact O-N 3.07Å; I35-L38 WeakPolarHBondContact O-CB 3.42Å; I35-L38 PolarHBondContact O-N 3.33Å; I35-I67 HydrophobicContact CD1-CD1 3.86Å; I35-I67 HydrophobicContact CD1-CG1 3.77Å; I35-L72 HydrophobicContact CD1-CB 4.24Å; I35-L72 HydrophobicContact CG2-CD1 3.63Å; I35-Y75 HydrophobicContact CB-CD1 4.17Å; I35-Y75 HydrophobicContact CB-CG 4.1Å; I35-Y75 HydrophobicContact CG2-CD1 3.38Å; I35-Y75 HydrophobicContact CG2-CE1 3.99Å; I35-Y75 HydrophobicContact CG2-CG 3.76Å
36S85.5Confident86.8Confident25 Ų2536.8 Ų36.818%0.17521%0.214CC..Hα-helixtrans-61.2-39.8-175.363.90000112.1D29 Y32 P33 L38 G39D29-S36 PolarHBondContact O-OG 3.19Å; D29-S36 WeakPolarHBondContact OD1-CB 3.34Å; Y32-S36 WeakPolarHBondContact O-CB 3.41Å; Y32-S36 PolarHBondContact O-N 3.33Å; Y32-S36 PolarHBondContact O-OG 3.48Å; Y32-S36 VanDerWaalsContact O-OG 3.13Å; P33-S36 WeakPolarHBondContact CA-OG 3.44Å; S36-L38 VanDerWaalsContact C-N 3.27Å; S36-L38 PolarHBondContact O-N 3.41Å; S36-G39 PolarHBondContact O-N 3.26Å
37R80.9Confident87Confident91 Ų9133.4 Ų33.434%0.34320%0.196SC..THydrogen-bonded Turntrans-61.8-30.6177.7-74176-174.9160.81.7114.2P33 I35 G39P33-R37 WeakPolarHBondContact O-CB 3.45Å; P33-R37 WeakPolarHBondContact O-CD 3.4Å; P33-R37 WeakPolarHBondContact O-CG 3.32Å; I35-R37 VanDerWaalsContact C-N 3.32Å; I35-R37 PolarHBondContact O-N 3.07Å; R37-G39 PolarHBondContact O-N 2.63Å
38L84.9Confident87.2Confident59 Ų5935.2 Ų35.231%0.30920%0.199SC..THydrogen-bonded Turntrans-65.3-20.7177.3-61172000111.4D34 I35 S36 V40 R60 P62 I67D34-L38 WeakPolarHBondContact O-CG 3.37Å; I35-L38 WeakPolarHBondContact O-CB 3.42Å; I35-L38 PolarHBondContact O-N 3.33Å; S36-L38 VanDerWaalsContact C-N 3.27Å; S36-L38 PolarHBondContact O-N 3.41Å; L38-V40 HydrophobicContact CB-CG2 3.66Å; L38-V40 HydrophobicContact CD1-CG2 4.23Å; L38-V40 PolarHBondContact O-N 2.87Å; L38-R60 WeakPolarHBondContact O-CB 3.3Å; L38-R60 WeakPolarHBondContact O-CD 3.43Å; L38-P62 HydrophobicContact CD1-CG 4.16Å; L38-I67 HydrophobicContact CD1-CD1 3.83Å
39G86.2Confident87.3Confident9 Ų941 Ų419%0.09323%0.229CC..THydrogen-bonded Turntrans64.525.5-177.500000112.8S36 R37 L41 R60S36-G39 PolarHBondContact O-N 3.26Å; R37-G39 PolarHBondContact O-N 2.63Å; G39-L41 VanDerWaalsContact C-N 3.29Å; G39-L41 PolarHBondContact O-N 3.07Å; G39-R60 WeakPolarHBondContact O-CD 3.47Å; G39-R60 PolarHBondContact O-NH1 2.88Å
40V88.6Confident87.2Confident1 Ų141.3 Ų41.31%0.00624%0.244CC..  trans-63.1-38-177.7-179.70000110.9L38 F56 S57 R60 L61L38-V40 HydrophobicContact CB-CG2 3.66Å; L38-V40 HydrophobicContact CD1-CG2 4.23Å; L38-V40 PolarHBondContact O-N 2.87Å; V40-F56 HydrophobicContact CG1-CD1 4.13Å; V40-F56 HydrophobicContact CG1-CD2 3.95Å; V40-F56 HydrophobicContact CG1-CE1 3.63Å; V40-F56 HydrophobicContact CG1-CE2 3.41Å; V40-F56 VanDerWaalsContact CG1-CE2 3.41Å; V40-F56 HydrophobicContact CG1-CG 4.29Å; V40-F56 HydrophobicContact CG1-CZ 3.25Å; V40-F56 CarbonylContact O-C 3.57Å; V40-F56 VanDerWaalsContact O-CA 3.22Å; V40-F56 WeakPolarHBondContact O-CA 3.36Å; V40-S57 PolarHBondContact O-N 3.48Å; V40-R60 HydrophobicContact CG2-CB 4.1Å; V40-L61 HydrophobicContact CG1-CD2 3.93Å; V40-L61 HydrophobicContact CG1-CG 4.17Å; V40-L61 HydrophobicContact CG2-CD2 4.03Å; V40-L61 HydrophobicContact CG2-CG 4.42Å
41L92.8Very high87.5Confident7 Ų741.3 Ų41.34%0.03724%0.237CC..EExtended strand (participates in β ladder)trans-122.3128.3179.8-167.871.2000109.8G39 I54 V55 F56 Y75 I76 T79 L90G39-L41 VanDerWaalsContact C-N 3.29Å; G39-L41 PolarHBondContact O-N 3.07Å; L41-I54 HydrophobicContact CD1-CG2 3.44Å; L41-I54 VanDerWaalsContact CD1-CG2 3.44Å; L41-I54 HydrophobicContact CG-CG2 3.89Å; L41-V55 CarbonylContact C-O 3.55Å; L41-V55 VanDerWaalsContact CA-O 3.26Å; L41-V55 WeakPolarHBondContact CA-O 3.49Å; L41-F56 HydrophobicContact CD1-CB 4.12Å; L41-F56 HydrophobicContact CD1-CD2 4.02Å; L41-Y75 HydrophobicContact CB-CE1 4.1Å; L41-I76 HydrophobicContact CD2-CB 4.28Å; L41-I76 HydrophobicContact CD2-CG1 4.26Å; L41-I76 HydrophobicContact CD2-CG2 4.13Å; L41-T79 HydrophobicContact CD2-CG2 3.41Å; L41-T79 VanDerWaalsContact CD2-CG2 3.41Å; L41-T79 HydrophobicContact CG-CG2 4.11Å; L41-L90 HydrophobicContact CD1-CD1 4.48Å
42Q89.6Confident87.6Confident48 Ų4840.4 Ų40.422%0.22423%0.228CC..EExtended strand (participates in β ladder)trans-142.2141.1-177.7-64.8-176.1-44.600111.5I54 V55 P173Q42-I54 WeakPolarHBondContact O-CA 3.5Å; Q42-V55 PolarHBondContact N-O 3.1Å; Q42-V55 PolarHBondContact O-N 3.27Å; Q42-P173 HydrophobicContact CB-CG 4.08Å; Q42-P173 VanDerWaalsContact OE1-CB 3.28Å
43G88.2Confident87.8Confident31 Ų3139.5 Ų39.532%0.3223%0.225SC..EExtended strand (participates in β ladder)trans-73.9133.8165.600000110.5
44A87.7Confident88.2Confident9 Ų939 Ų397%0.07422%0.222CC..EExtended strand (participates in β ladder)trans-124.227.5-171.100000113.4I53 V55 L172 P173A44-I53 HydrophobicContact CB-CB 4.07Å; A44-I53 HydrophobicContact CB-CG2 3.87Å; A44-I53 PolarHBondContact N-O 3.11Å; A44-V55 HydrophobicContact CB-CG2 3.73Å; A44-L172 HydrophobicContact CB-CD2 3.76Å; A44-P173 HydrophobicContact CB-CG 4.08Å
45G85.8Confident88.8Confident38 Ų3838 Ų3839%0.39222%0.216SC..EExtended strand (participates in β ladder)trans80.4-139.8-178.600000112.8K52 I53G45-K52 WeakPolarHBondContact O-CA 3.36Å; G45-I53 PolarHBondContact O-N 2.76Å
46D88.1Confident89.2Confident56 Ų5639.1 Ų39.130%0.29922%0.221SC..EExtended strand (participates in β ladder)trans-124149.3-175.5-62.5-56.3000111R51 K52D46-R51 CarbonylContact C-O 3.53Å; D46-R51 VanDerWaalsContact CA-O 3.29Å; D46-R51 WeakPolarHBondContact CA-O 3.35Å; D46-K52 WeakPolarHBondContact OD1-CD 3.47Å; D46-K52 WeakPolarHBondContact OD1-CE 3.22Å; D46-K52 IonicContact OD1-NZ 2.66Å; D46-K52 PolarHBondContact OD1-NZ 2.94Å; D46-K52 IonicContact OD2-NZ 3.85Å; D46-K52 PolarHBondContact OD2-NZ 3.33Å
47D88.7Confident89.5Confident4 Ų438 Ų382%0.02121%0.213CC..  trans-78.8-179.3171.2744.9000112.8L49 G50 R51 I53 L167D47-L49 PolarHBondContact O-N 2.81Å; D47-L49 WeakPolarHBondContact OD1-CA 3.44Å; D47-L49 WeakPolarHBondContact OD1-CB 3.41Å; D47-L49 PolarHBondContact OD1-N 3.32Å; D47-G50 PolarHBondContact O-N 3.47Å; D47-G50 PolarHBondContact OD1-N 3.08Å; D47-G50 VanDerWaalsContact OD1-N 3.09Å; D47-R51 PolarHBondContact N-O 3.34Å; D47-R51 WeakPolarHBondContact OD1-CB 3.38Å; D47-R51 PolarHBondContact OD1-N 3.45Å; D47-R51 IonicContact OD1-NE 2.75Å; D47-R51 IonicContact OD2-CZ 2.59Å; D47-R51 IonicContact OD2-NE 3.12Å; D47-R51 PolarHBondContact OD2-NE 3.35Å; D47-R51 IonicContact OD2-NH2 3.4Å; D47-R51 PolarHBondContact OD2-NH2 2.94Å; D47-I53 HydrophobicContact CB-CD1 3.85Å; D47-I53 HydrophobicContact CB-CG1 4.02Å; D47-L167 HydrophobicContact CB-CD2 3.59Å
48K88.5Confident89.8Confident104 Ų10433.6 Ų33.645%0.45220%0.197SC..THydrogen-bonded Turntrans-61.1-13.9179.6-67.3-175.7173.2-176.50114.1E164 T166 L167 F168K48-E164 WeakPolarHBondContact CE-O 3.38Å; K48-E164 PolarHBondContact NZ-O 3.21Å; K48-T166 WeakPolarHBondContact CB-O 3.42Å; K48-T166 WeakPolarHBondContact CG-O 3.43Å; K48-T166 PolarHBondContact N-O 3.3Å; K48-L167 WeakPolarHBondContact CE-O 3.38Å; K48-F168 HydrophobicContact CB-CE2 4.4Å; K48-F168 HydrophobicContact CB-CZ 4.41Å; K48-F168 HydrophobicContact CD-CE1 4.48Å; K48-F168 HydrophobicContact CG-CD1 4.34Å; K48-F168 HydrophobicContact CG-CD2 4.2Å; K48-F168 HydrophobicContact CG-CE1 3.94Å; K48-F168 HydrophobicContact CG-CE2 3.77Å; K48-F168 HydrophobicContact CG-CG 4.47Å; K48-F168 HydrophobicContact CG-CZ 3.64Å
49L90.1Very high89.9Confident134 Ų13431.3 Ų31.370%0.70219%0.185SC*.THydrogen-bonded Turntrans-105.36.7177.4-61.3177.7000112.6D47 R51D47-L49 PolarHBondContact O-N 2.81Å; D47-L49 WeakPolarHBondContact OD1-CA 3.44Å; D47-L49 WeakPolarHBondContact OD1-CB 3.41Å; D47-L49 PolarHBondContact OD1-N 3.32Å; L49-R51 HydrophobicContact CB-CG 4.38Å
50G85.6Confident89.9Confident55 Ų5533.5 Ų33.557%0.56719%0.191SC*.SBendtrans78.918.5179.200000114.7D47D47-G50 PolarHBondContact O-N 3.47Å; D47-G50 PolarHBondContact OD1-N 3.08Å; D47-G50 VanDerWaalsContact OD1-N 3.09Å
51R91.6Very high89.6Confident48 Ų4834 Ų3418%0.18119%0.194CC..PPolyproline II helixtrans-92.6138.3179.2-54.6177.2-66.6-1715.1110D46 D47 L49 I53 D87D46-R51 CarbonylContact C-O 3.53Å; D46-R51 VanDerWaalsContact CA-O 3.29Å; D46-R51 WeakPolarHBondContact CA-O 3.35Å; D47-R51 PolarHBondContact N-O 3.34Å; D47-R51 WeakPolarHBondContact OD1-CB 3.38Å; D47-R51 PolarHBondContact OD1-N 3.45Å; D47-R51 IonicContact OD1-NE 2.75Å; D47-R51 IonicContact OD2-CZ 2.59Å; D47-R51 IonicContact OD2-NE 3.12Å; D47-R51 PolarHBondContact OD2-NE 3.35Å; D47-R51 IonicContact OD2-NH2 3.4Å; D47-R51 PolarHBondContact OD2-NH2 2.94Å; L49-R51 HydrophobicContact CB-CG 4.38Å; R51-I53 PolarHBondContact O-N 3.04Å; R51-D87 WeakPolarHBondContact CB-O 3.14Å; R51-D87 HydrophobicContact CG-CB 4.08Å
52K92.1Very high88.9Confident71 Ų7135.2 Ų35.231%0.30920%0.202SC..EExtended strand (participates in β ladder)trans-63.1135.1-178.3-70.5-71.2164.5-147.30111.4G45 D46 Y83 I86 D87 Y88 V89G45-K52 WeakPolarHBondContact O-CA 3.36Å; D46-K52 WeakPolarHBondContact OD1-CD 3.47Å; D46-K52 WeakPolarHBondContact OD1-CE 3.22Å; D46-K52 IonicContact OD1-NZ 2.66Å; D46-K52 PolarHBondContact OD1-NZ 2.94Å; D46-K52 IonicContact OD2-NZ 3.85Å; D46-K52 PolarHBondContact OD2-NZ 3.33Å; K52-Y83 HydrophobicContact CB-CD1 3.93Å; K52-Y83 HydrophobicContact CB-CE1 4.17Å; K52-Y83 HydrophobicContact CD-CE1 4.41Å; K52-Y83 HydrophobicContact CG-CD1 4.09Å; K52-Y83 HydrophobicContact CG-CE1 4.21Å; K52-I86 HydrophobicContact CB-CD1 4.33Å; K52-I86 HydrophobicContact CG-CD1 3.54Å; K52-D87 PolarHBondContact N-O 2.96Å; K52-Y88 CarbonylContact O-C 3.6Å; K52-Y88 WeakPolarHBondContact O-CA 3.47Å; K52-Y88 WeakPolarHBondContact O-CB 3.47Å; K52-V89 PolarHBondContact O-N 3.02Å
53I93.3Very high88.3Confident4 Ų434.5 Ų34.52%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-103.3130.7176.8-56.5169000109.4A44 G45 D47 R51 V55 V89 I91 L167 L172A44-I53 HydrophobicContact CB-CB 4.07Å; A44-I53 HydrophobicContact CB-CG2 3.87Å; A44-I53 PolarHBondContact N-O 3.11Å; G45-I53 PolarHBondContact O-N 2.76Å; D47-I53 HydrophobicContact CB-CD1 3.85Å; D47-I53 HydrophobicContact CB-CG1 4.02Å; R51-I53 PolarHBondContact O-N 3.04Å; I53-V55 HydrophobicContact CG2-CG2 4.25Å; I53-V89 WeakPolarHBondContact CA-O 3.3Å; I53-I91 HydrophobicContact CG2-CD1 3.53Å; I53-I91 HydrophobicContact CG2-CG1 4.01Å; I53-L167 HydrophobicContact CD1-CD2 3.65Å; I53-L167 HydrophobicContact CG1-CD2 4.21Å; I53-L172 HydrophobicContact CD1-CD2 3.94Å; I53-L172 HydrophobicContact CG2-CD2 3.87Å
54I94.3Very high87.9Confident1 Ų134.7 Ų34.71%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-118.4133.8169.6-56.794.1000108L41 Q42 L80 Y83 Y88 V89 L90 I91L41-I54 HydrophobicContact CD1-CG2 3.44Å; L41-I54 VanDerWaalsContact CD1-CG2 3.44Å; L41-I54 HydrophobicContact CG-CG2 3.89Å; Q42-I54 WeakPolarHBondContact O-CA 3.5Å; I54-L80 HydrophobicContact CB-CD2 4.39Å; I54-L80 HydrophobicContact CG1-CD2 4.3Å; I54-L80 HydrophobicContact CG2-CD2 4.05Å; I54-Y83 HydrophobicContact CD1-CD1 4.23Å; I54-Y83 HydrophobicContact CD1-CD2 3.7Å; I54-Y83 HydrophobicContact CD1-CE2 4.06Å; I54-Y83 HydrophobicContact CD1-CG 3.78Å; I54-Y83 HydrophobicContact CG1-CD2 3.67Å; I54-Y83 HydrophobicContact CG1-CE2 3.57Å; I54-Y83 HydrophobicContact CG1-CG 4.23Å; I54-Y88 HydrophobicContact CD1-CD2 3.6Å; I54-Y88 HydrophobicContact CD1-CE2 4.47Å; I54-Y88 HydrophobicContact CD1-CG 4.05Å; I54-V89 PolarHBondContact N-O 3.07Å; I54-L90 HydrophobicContact CB-CD1 4.01Å; I54-L90 HydrophobicContact CG2-CD1 3.95Å; I54-L90 CarbonylContact O-C 3.49Å; I54-L90 WeakPolarHBondContact O-CA 3.42Å; I54-L90 WeakPolarHBondContact O-CD1 3.22Å; I54-I91 PolarHBondContact O-N 3Å
55V94.7Very high87.6Confident1 Ų140.9 Ų40.91%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-112.4128.6-178.7171.20000109.6L41 Q42 A44 I53 I91 F93 L172 P173L41-V55 CarbonylContact C-O 3.55Å; L41-V55 VanDerWaalsContact CA-O 3.26Å; L41-V55 WeakPolarHBondContact CA-O 3.49Å; Q42-V55 PolarHBondContact N-O 3.1Å; Q42-V55 PolarHBondContact O-N 3.27Å; A44-V55 HydrophobicContact CB-CG2 3.73Å; I53-V55 HydrophobicContact CG2-CG2 4.25Å; V55-I91 CarbonylContact C-O 3.52Å; V55-I91 WeakPolarHBondContact CA-O 3.26Å; V55-I91 HydrophobicContact CG2-CB 4.24Å; V55-I91 HydrophobicContact CG2-CD1 4.4Å; V55-F93 HydrophobicContact CG1-CD2 3.53Å; V55-F93 HydrophobicContact CG1-CE2 3.4Å; V55-F93 HydrophobicContact CG2-CE2 4.38Å; V55-L172 HydrophobicContact CG2-CD2 4.42Å; V55-P173 HydrophobicContact CB-CG 4.38Å; V55-P173 HydrophobicContact CG2-CG 4.3Å
56F95.3Very high87.5Confident25 Ų2544.9 Ų44.911%0.1125%0.246CC..EExtended strand (participates in β ladder)trans-110.3124167.1-170.5-71.7000110V40 L41 L61 I76 I91 Y92 F93V40-F56 HydrophobicContact CG1-CD1 4.13Å; V40-F56 HydrophobicContact CG1-CD2 3.95Å; V40-F56 HydrophobicContact CG1-CE1 3.63Å; V40-F56 HydrophobicContact CG1-CE2 3.41Å; V40-F56 VanDerWaalsContact CG1-CE2 3.41Å; V40-F56 HydrophobicContact CG1-CG 4.29Å; V40-F56 HydrophobicContact CG1-CZ 3.25Å; V40-F56 CarbonylContact O-C 3.57Å; V40-F56 VanDerWaalsContact O-CA 3.22Å; V40-F56 WeakPolarHBondContact O-CA 3.36Å; L41-F56 HydrophobicContact CD1-CB 4.12Å; L41-F56 HydrophobicContact CD1-CD2 4.02Å; F56-L61 HydrophobicContact CE1-CD1 3.97Å; F56-L61 HydrophobicContact CE1-CG 4.44Å; F56-L61 HydrophobicContact CZ-CD1 4.07Å; F56-L61 HydrophobicContact CZ-CD2 4.33Å; F56-L61 HydrophobicContact CZ-CG 4.4Å; F56-I76 HydrophobicContact CD2-CD1 4.43Å; F56-I76 HydrophobicContact CE2-CD1 3.68Å; F56-I76 HydrophobicContact CE2-CG1 4.24Å; F56-I91 PolarHBondContact N-O 3.25Å; F56-Y92 HydrophobicContact CB-CD2 4.15Å; F56-Y92 AromaticContact CD1-CD2 3.51Å; F56-Y92 HydrophobicContact CD1-CD2 3.51Å; F56-Y92 AromaticContact CD1-CE2 3.54Å; F56-Y92 HydrophobicContact CD1-CE2 3.54Å; F56-Y92 HydrophobicContact CE1-CD2 4.31Å; F56-Y92 AromaticContact CE1-CE2 3.89Å; F56-Y92 HydrophobicContact CE1-CE2 3.89Å; F56-Y92 HydrophobicContact CG-CD2 4.14Å; F56-Y92 WeakPolarHBondContact O-CA 3.46Å; F56-F93 PolarHBondContact O-N 3Å
57S91.7Very high87.3Confident1 Ų142.9 Ų42.91%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-111.7107.1-177.3-67.10000112.4V40 C59 R60 P175V40-S57 PolarHBondContact O-N 3.48Å; S57-C59 VanDerWaalsContact C-N 3.33Å; S57-C59 PolarHBondContact O-N 3.36Å; S57-R60 PolarHBondContact O-N 3.24Å; S57-P175 VanDerWaalsContact OG-CG 3.32Å; S57-P175 WeakPolarHBondContact OG-CG 3.45Å
58A88.7Confident87.5Confident0 Ų046.5 Ų46.50%026%0.255CS..G310 helixtrans-63.7-35.7-17900000113.5R60 L61 Y92 F93 L97A58-R60 PolarHBondContact O-N 3.14Å; A58-L61 WeakPolarHBondContact O-CB 3.25Å; A58-L61 PolarHBondContact O-N 3.24Å; A58-Y92 HydrophobicContact CB-CE2 3.91Å; A58-F93 VanDerWaalsContact CB-O 3.22Å; A58-F93 WeakPolarHBondContact CB-O 3.25Å; A58-F93 PolarHBondContact N-O 3.49Å; A58-L97 HydrophobicContact CB-CB 3.91Å; A58-L97 HydrophobicContact CB-CD1 4.06Å
59C86Confident87.6Confident10 Ų1043.1 Ų43.17%0.06824%0.24CC..G310 helixtrans-64.1-9.2178.2660000115.1S57 F95 P175 R177S57-C59 VanDerWaalsContact C-N 3.33Å; S57-C59 PolarHBondContact O-N 3.36Å; C59-F95 WeakPolarHBondContact CB-O 3.5Å; C59-F95 PolarHBondContact N-O 2.82Å; C59-F95 VanDerWaalsContact N-O 3.16Å; C59-P175 VanDerWaalsContact SG-CB 3.53Å; C59-R177 PolarHBondContact O-NH1 3.42Å; C59-R177 VanDerWaalsContact O-NH1 3.12Å
60R86.8Confident87.8Confident55 Ų5540.6 Ų40.621%0.20823%0.225CC..G310 helixtrans-96.6-5.1175-68-177.5175.9164.82.8113.2L38 G39 V40 S57 A58L38-R60 WeakPolarHBondContact O-CB 3.3Å; L38-R60 WeakPolarHBondContact O-CD 3.43Å; G39-R60 WeakPolarHBondContact O-CD 3.47Å; G39-R60 PolarHBondContact O-NH1 2.88Å; V40-R60 HydrophobicContact CG2-CB 4.1Å; S57-R60 PolarHBondContact O-N 3.24Å; A58-R60 PolarHBondContact O-N 3.14Å
61L81.4Confident88.2Confident12 Ų1240.1 Ų40.16%0.06321%0.208CC..  trans-73.9125.7172-72.3167.4000109.9V40 F56 A58 I67 L72 L97 N101V40-L61 HydrophobicContact CG1-CD2 3.93Å; V40-L61 HydrophobicContact CG1-CG 4.17Å; V40-L61 HydrophobicContact CG2-CD2 4.03Å; V40-L61 HydrophobicContact CG2-CG 4.42Å; F56-L61 HydrophobicContact CE1-CD1 3.97Å; F56-L61 HydrophobicContact CE1-CG 4.44Å; F56-L61 HydrophobicContact CZ-CD1 4.07Å; F56-L61 HydrophobicContact CZ-CD2 4.33Å; F56-L61 HydrophobicContact CZ-CG 4.4Å; A58-L61 WeakPolarHBondContact O-CB 3.25Å; A58-L61 PolarHBondContact O-N 3.24Å; L61-I67 HydrophobicContact CD2-CD1 4.16Å; L61-L72 HydrophobicContact CD2-CD2 3.74Å; L61-L97 HydrophobicContact CD1-CD1 4.04Å; L61-N101 HydrophobicContact CB-CB 4.25Å; L61-N101 PolarHBondContact O-ND2 2.91Å
62P78.8Confident88.3Confident33 Ų3337.9 Ų37.921%0.21420%0.2CC..  trans-71.2178.4171.735.2-38.9000110.2L38 L66 I67 N101L38-P62 HydrophobicContact CD1-CG 4.16Å; P62-L66 HydrophobicContact CB-CB 4.18Å; P62-I67 HydrophobicContact CG-CB 3.74Å; P62-I67 HydrophobicContact CG-CD1 4.14Å; P62-I67 HydrophobicContact CG-CG1 4.48Å; P62-I67 HydrophobicContact CG-CG2 4.03Å; P62-N101 WeakPolarHBondContact O-CB 3.41Å
63A77.4Confident88.5Confident32 Ų3234.7 Ų34.726%0.26419%0.186SC..  trans-56.6149173.800000111.3D65 L66 K100A63-D65 WeakPolarHBondContact CB-OD1 3.27Å; A63-D65 PolarHBondContact O-N 2.99Å; A63-D65 VanDerWaalsContact O-N 3.12Å; A63-L66 HydrophobicContact CB-CD1 4.07Å; A63-L66 HydrophobicContact CB-CG 4.24Å; A63-L66 WeakPolarHBondContact O-CB 3.48Å; A63-L66 PolarHBondContact O-N 3.13Å; A63-K100 WeakPolarHBondContact CA-O 3.29Å
64A79.6Confident88.6Confident36 Ų3638.5 Ų38.530%0.29821%0.205SC..THydrogen-bonded Turntrans-66.4-19.3-166.900000114H69 K100A64-H69 PolarHBondContact O-CE1 3.12Å; A64-K100 WeakPolarHBondContact CB-O 3.39Å; A64-K100 PolarHBondContact N-O 3.38Å
65D81.5Confident88.6Confident138 Ų13838.7 Ų38.774%0.73821%0.205SC*.THydrogen-bonded Turntrans-84-19.3173.857.9-37.5000113.5A63A63-D65 WeakPolarHBondContact CB-OD1 3.27Å; A63-D65 PolarHBondContact O-N 2.99Å; A63-D65 VanDerWaalsContact O-N 3.12Å
66L82.8Confident88.6Confident122 Ų12239 Ų3964%0.63921%0.207SC*.SBendtrans-91.7-1.3179.3-61178000113.5P62 A63P62-L66 HydrophobicContact CB-CB 4.18Å; A63-L66 HydrophobicContact CB-CD1 4.07Å; A63-L66 HydrophobicContact CB-CG 4.24Å; A63-L66 WeakPolarHBondContact O-CB 3.48Å; A63-L66 PolarHBondContact O-N 3.13Å
67I85.5Confident88.6Confident14 Ų1438.7 Ų38.77%0.07221%0.207CC..SBendtrans-134.4129-177.7-172.2167000112I35 L38 L61 P62 H69 L72I35-I67 HydrophobicContact CD1-CD1 3.86Å; I35-I67 HydrophobicContact CD1-CG1 3.77Å; L38-I67 HydrophobicContact CD1-CD1 3.83Å; L61-I67 HydrophobicContact CD2-CD1 4.16Å; P62-I67 HydrophobicContact CG-CB 3.74Å; P62-I67 HydrophobicContact CG-CD1 4.14Å; P62-I67 HydrophobicContact CG-CG1 4.48Å; P62-I67 HydrophobicContact CG-CG2 4.03Å; I67-H69 PolarHBondContact O-N 3.49Å; I67-H69 VanDerWaalsContact O-N 3.09Å; I67-H69 PolarHBondContact O-ND1 3.41Å; I67-L72 HydrophobicContact CD1-CB 4.25Å; I67-L72 HydrophobicContact CD1-CD1 4.34Å; I67-L72 HydrophobicContact CD1-CD2 4.02Å; I67-L72 HydrophobicContact CD1-CG 4.42Å; I67-L72 HydrophobicContact CG1-CB 4.47Å
68D91.7Very high88.7Confident80 Ų8042.9 Ų42.943%0.42823%0.225SC..  trans-71.2105.3167.3-174.1-15.8000109.3Q70 H71 L72D68-Q70 VanDerWaalsContact C-N 3.27Å; D68-Q70 PolarHBondContact O-N 2.73Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.33Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.41Å; D68-Q70 PolarHBondContact OD1-N 3.37Å; D68-H71 HydrophobicContact CB-CB 3.77Å; D68-H71 PolarHBondContact O-N 3.22Å; D68-H71 PolarHBondContact OD1-N 2.96Å; D68-L72 WeakPolarHBondContact O-CB 3.48Å; D68-L72 PolarHBondContact O-N 2.96Å
69H91.6Very high89Confident33 Ų3343 Ų4315%0.15323%0.226CC..Hα-helixtrans-64.5-31179.1-75.674.2000112.9A64 I67 L73 P103 W107A64-H69 PolarHBondContact O-CE1 3.12Å; I67-H69 PolarHBondContact O-N 3.49Å; I67-H69 VanDerWaalsContact O-N 3.09Å; I67-H69 PolarHBondContact O-ND1 3.41Å; H69-L73 WeakPolarHBondContact O-CB 3.47Å; H69-L73 PolarHBondContact O-N 3.28Å; H69-P103 WeakPolarHBondContact NE2-CA 3.06Å; H69-W107 HydrophobicContact CB-CG 4.3Å; H69-W107 PolarHBondContact O-NE1 3.25Å
70Q93.9Very high89.3Confident81 Ų8142.8 Ų42.838%0.37922%0.224SC..Hα-helixtrans-70.1-41.9176.2-177.160.321.100110.1D68 L73 M74D68-Q70 VanDerWaalsContact C-N 3.27Å; D68-Q70 PolarHBondContact O-N 2.73Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.33Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.41Å; D68-Q70 PolarHBondContact OD1-N 3.37Å; Q70-L73 PolarHBondContact O-N 3.08Å; Q70-M74 WeakPolarHBondContact O-CG 3.15Å; Q70-M74 PolarHBondContact O-N 2.98Å
71H93.8Very high89.7Confident46 Ų4644 Ų4421%0.21323%0.232CC..Hα-helixtrans-63.4-44.1174.8-154.6-145.2000111.6Y32 D34 D68 L73 M74 Y75Y32-H71 AromaticContact CD1-CD2 3.4Å; Y32-H71 VanDerWaalsContact CD1-CD2 3.4Å; Y32-H71 WeakPolarHBondContact CD1-CD2 3.48Å; Y32-H71 AromaticContact CD1-CE1 3.54Å; Y32-H71 AromaticContact CD1-CG 3.94Å; Y32-H71 AromaticContact CD1-NE2 3.12Å; Y32-H71 WeakPolarHBondContact CD1-NE2 3.03Å; Y32-H71 AromaticContact CE1-CD2 3.39Å; Y32-H71 WeakPolarHBondContact CE1-CD2 3.45Å; Y32-H71 AromaticContact CE1-NE2 3.36Å; Y32-H71 WeakPolarHBondContact CE1-NE2 3.08Å; D34-H71 IonicContact OD1-CE1 3.12Å; D34-H71 PolarHBondContact OD1-CE1 3.41Å; D34-H71 IonicContact OD1-ND1 3.13Å; D34-H71 PolarHBondContact OD1-ND1 3.16Å; D34-H71 VanDerWaalsContact OD1-ND1 3.13Å; D34-H71 IonicContact OD2-CE1 3.8Å; D34-H71 IonicContact OD2-ND1 2.99Å; D34-H71 PolarHBondContact OD2-ND1 3.07Å; D68-H71 HydrophobicContact CB-CB 3.77Å; D68-H71 PolarHBondContact O-N 3.22Å; D68-H71 PolarHBondContact OD1-N 2.96Å; H71-L73 VanDerWaalsContact C-N 3.32Å; H71-L73 PolarHBondContact O-N 3.47Å; H71-M74 PolarHBondContact O-N 2.88Å; H71-M74 VanDerWaalsContact O-N 3.16Å; H71-Y75 PolarHBondContact O-N 3.33Å
72L93.8Very high90.2Very high1 Ų145.9 Ų45.91%0.00524%0.24CC..Hα-helixtrans-54.9-45.8171.2174.464.3000111.9I35 L61 I67 D68 M74 Y75 I76 W107I35-L72 HydrophobicContact CD1-CB 4.24Å; I35-L72 HydrophobicContact CG2-CD1 3.63Å; L61-L72 HydrophobicContact CD2-CD2 3.74Å; I67-L72 HydrophobicContact CD1-CB 4.25Å; I67-L72 HydrophobicContact CD1-CD1 4.34Å; I67-L72 HydrophobicContact CD1-CD2 4.02Å; I67-L72 HydrophobicContact CD1-CG 4.42Å; I67-L72 HydrophobicContact CG1-CB 4.47Å; D68-L72 WeakPolarHBondContact O-CB 3.48Å; D68-L72 PolarHBondContact O-N 2.96Å; L72-M74 VanDerWaalsContact C-N 3.34Å; L72-M74 PolarHBondContact O-N 3.32Å; L72-Y75 PolarHBondContact O-N 3.1Å; L72-I76 HydrophobicContact CD1-CD1 3.84Å; L72-I76 HydrophobicContact CD1-CG1 4.15Å; L72-I76 HydrophobicContact CG-CD1 3.8Å; L72-I76 WeakPolarHBondContact O-CD1 3.47Å; L72-I76 WeakPolarHBondContact O-CG1 3.26Å; L72-I76 PolarHBondContact O-N 2.89Å; L72-W107 HydrophobicContact CD2-CH2 4.45Å; L72-W107 HydrophobicContact CD2-CZ2 4.21Å; L72-W107 HydrophobicContact CG-CZ2 4.37Å
73L95.6Very high90.8Very high3 Ų345.9 Ų45.92%0.01624%0.237CC..Hα-helixtrans-64.2-39.8178.8-179.856.3000112H69 Q70 H71 T77 W107 Q110 A111 F115H69-L73 WeakPolarHBondContact O-CB 3.47Å; H69-L73 PolarHBondContact O-N 3.28Å; Q70-L73 PolarHBondContact O-N 3.08Å; H71-L73 VanDerWaalsContact C-N 3.32Å; H71-L73 PolarHBondContact O-N 3.47Å; L73-T77 VanDerWaalsContact O-CB 3.31Å; L73-T77 WeakPolarHBondContact O-CB 3.23Å; L73-T77 PolarHBondContact O-N 2.97Å; L73-T77 PolarHBondContact O-OG1 2.69Å; L73-W107 HydrophobicContact CB-CZ2 3.86Å; L73-W107 HydrophobicContact CD1-CZ2 4.26Å; L73-Q110 HydrophobicContact CD2-CG 4Å; L73-A111 HydrophobicContact CD1-CB 3.61Å; L73-A111 HydrophobicContact CD2-CB 4.36Å; L73-F115 HydrophobicContact CD1-CE2 4.19Å; L73-F115 HydrophobicContact CD1-CZ 3.83Å
74M95.4Very high91.5Very high84 Ų8445.9 Ų45.941%0.41423%0.233SC..Hα-helixtrans-65.4-45176.4-71179.167.100111.5Y32 Q70 H71 L72 T77 K78Y32-M74 HydrophobicContact CE1-CB 3.77Å; Q70-M74 WeakPolarHBondContact O-CG 3.15Å; Q70-M74 PolarHBondContact O-N 2.98Å; H71-M74 PolarHBondContact O-N 2.88Å; H71-M74 VanDerWaalsContact O-N 3.16Å; L72-M74 VanDerWaalsContact C-N 3.34Å; L72-M74 PolarHBondContact O-N 3.32Å; M74-T77 WeakPolarHBondContact O-CB 3.39Å; M74-T77 PolarHBondContact O-N 3.02Å; M74-K78 WeakPolarHBondContact O-CG 3.39Å; M74-K78 PolarHBondContact O-N 3.46Å
75Y94.9Very high91.9Very high5 Ų548.6 Ų48.62%0.0225%0.25CC..Hα-helixtrans-56.7-52.6174.1178.1-107.7000111.6Q25 I28 D29 Y32 I35 L41 H71 L72 T77 K78 T79Q25-Y75 PolarHBondContact NE2-OH 2.66Å; I28-Y75 HydrophobicContact CG2-CD2 3.77Å; I28-Y75 HydrophobicContact CG2-CE2 3.77Å; D29-Y75 VanDerWaalsContact OD1-CE2 3.28Å; D29-Y75 WeakPolarHBondContact OD1-CE2 3.49Å; D29-Y75 PolarHBondContact OD1-OH 2.93Å; Y32-Y75 VanDerWaalsContact CB-CD2 3.45Å; Y32-Y75 HydrophobicContact CD1-CD2 4.39Å; Y32-Y75 AromaticContact CD2-CD2 3.92Å; Y32-Y75 HydrophobicContact CD2-CD2 3.92Å; Y32-Y75 AromaticContact CG-CD2 3.68Å; Y32-Y75 HydrophobicContact CG-CD2 3.68Å; Y32-Y75 HydrophobicContact CG-CG 4.27Å; I35-Y75 HydrophobicContact CB-CD1 4.17Å; I35-Y75 HydrophobicContact CB-CG 4.1Å; I35-Y75 HydrophobicContact CG2-CD1 3.38Å; I35-Y75 HydrophobicContact CG2-CE1 3.99Å; I35-Y75 HydrophobicContact CG2-CG 3.76Å; L41-Y75 HydrophobicContact CB-CE1 4.1Å; H71-Y75 PolarHBondContact O-N 3.33Å; L72-Y75 PolarHBondContact O-N 3.1Å; Y75-T77 PolarHBondContact O-N 2.91Å; Y75-K78 PolarHBondContact O-N 3.49Å; Y75-T79 WeakPolarHBondContact O-CB 3.32Å; Y75-T79 PolarHBondContact O-N 3.09Å; Y75-T79 PolarHBondContact O-OG1 3.23Å
76I95.4Very high92.4Very high9 Ų945.5 Ų45.55%0.04623%0.233CC..Hα-helixtrans-58.3-41.1177.8-62159.5000110.7L41 F56 L72 L80 W107 F115L41-I76 HydrophobicContact CD2-CB 4.28Å; L41-I76 HydrophobicContact CD2-CG1 4.26Å; L41-I76 HydrophobicContact CD2-CG2 4.13Å; F56-I76 HydrophobicContact CD2-CD1 4.43Å; F56-I76 HydrophobicContact CE2-CD1 3.68Å; F56-I76 HydrophobicContact CE2-CG1 4.24Å; L72-I76 HydrophobicContact CD1-CD1 3.84Å; L72-I76 HydrophobicContact CD1-CG1 4.15Å; L72-I76 HydrophobicContact CG-CD1 3.8Å; L72-I76 WeakPolarHBondContact O-CD1 3.47Å; L72-I76 WeakPolarHBondContact O-CG1 3.26Å; L72-I76 PolarHBondContact O-N 2.89Å; I76-L80 HydrophobicContact CG2-CD1 3.79Å; I76-L80 HydrophobicContact CG2-CG 4.21Å; I76-L80 VanDerWaalsContact O-CB 3.32Å; I76-L80 WeakPolarHBondContact O-CB 3.39Å; I76-L80 VanDerWaalsContact O-CG 3.26Å; I76-L80 WeakPolarHBondContact O-CG 3.19Å; I76-L80 PolarHBondContact O-N 3.05Å; I76-W107 HydrophobicContact CD1-CH2 4.34Å; I76-F115 HydrophobicContact CB-CZ 4.29Å; I76-F115 HydrophobicContact CG2-CE1 4.22Å; I76-F115 HydrophobicContact CG2-CE2 4.43Å; I76-F115 HydrophobicContact CG2-CZ 3.57Å
77T95.1Very high92.9Very high18 Ų1842.9 Ų42.911%0.1122%0.219CC..Hα-helixtrans-61.9-50.7178.8-580000110.9L73 M74 Y75 L80 E81 T114 F119L73-T77 VanDerWaalsContact O-CB 3.31Å; L73-T77 WeakPolarHBondContact O-CB 3.23Å; L73-T77 PolarHBondContact O-N 2.97Å; L73-T77 PolarHBondContact O-OG1 2.69Å; M74-T77 WeakPolarHBondContact O-CB 3.39Å; M74-T77 PolarHBondContact O-N 3.02Å; Y75-T77 PolarHBondContact O-N 2.91Å; T77-L80 PolarHBondContact O-N 3.34Å; T77-E81 VanDerWaalsContact O-CG 3.3Å; T77-E81 WeakPolarHBondContact O-CG 3.44Å; T77-E81 PolarHBondContact O-N 3Å; T77-T114 HydrophobicContact CG2-CG2 4.13Å; T77-F119 HydrophobicContact CG2-CE1 4.39Å; T77-F119 HydrophobicContact CG2-CZ 3.77Å
78K94.3Very high93.4Very high89 Ų8942.4 Ų42.439%0.38722%0.217SC..Hα-helixtrans-62.9-44.6179.9-72.4-75.2158.5-149.90112.1I28 Y32 M74 Y75 L80 E81I28-K78 HydrophobicContact CD1-CB 4.19Å; I28-K78 WeakPolarHBondContact CD1-O 3.36Å; I28-K78 HydrophobicContact CG1-CB 4.22Å; I28-K78 HydrophobicContact CG2-CB 3.99Å; Y32-K78 HydrophobicContact CE2-CG 4.38Å; M74-K78 WeakPolarHBondContact O-CG 3.39Å; M74-K78 PolarHBondContact O-N 3.46Å; Y75-K78 PolarHBondContact O-N 3.49Å; K78-L80 PolarHBondContact O-N 2.86Å; K78-E81 IonicContact NZ-OE1 3.53Å; K78-E81 IonicContact NZ-OE2 2.85Å; K78-E81 PolarHBondContact NZ-OE2 3.35Å; K78-E81 WeakPolarHBondContact O-CB 3.12Å; K78-E81 PolarHBondContact O-N 2.99Å
79T93.1Very high93.5Very high1 Ų138.8 Ų38.81%0.00620%0.197CC..Hα-helixtrans-63.8-40.1175.7-65.10000112.1Q25 L41 Y75 Q82 Y83Q25-T79 PolarHBondContact NE2-OG1 2.83Å; Q25-T79 VanDerWaalsContact OE1-CG2 3.24Å; L41-T79 HydrophobicContact CD2-CG2 3.41Å; L41-T79 VanDerWaalsContact CD2-CG2 3.41Å; L41-T79 HydrophobicContact CG-CG2 4.11Å; Y75-T79 WeakPolarHBondContact O-CB 3.32Å; Y75-T79 PolarHBondContact O-N 3.09Å; Y75-T79 PolarHBondContact O-OG1 3.23Å; T79-Q82 WeakPolarHBondContact O-CG 3.4Å; T79-Y83 HydrophobicContact CG2-CE2 4.41Å; T79-Y83 VanDerWaalsContact O-CD2 3.29Å; T79-Y83 WeakPolarHBondContact O-CD2 3.42Å; T79-Y83 WeakPolarHBondContact O-CE2 3.23Å
80L94.2Very high93.7Very high6 Ų638.7 Ų38.73%0.03120%0.198CC..Hα-helixtrans-73.5-29.4178.1-69.8-179.6000112.9I54 I76 T77 K78 Q82 Y83 V84 Y88 F115 F119I54-L80 HydrophobicContact CB-CD2 4.39Å; I54-L80 HydrophobicContact CG1-CD2 4.3Å; I54-L80 HydrophobicContact CG2-CD2 4.05Å; I76-L80 HydrophobicContact CG2-CD1 3.79Å; I76-L80 HydrophobicContact CG2-CG 4.21Å; I76-L80 VanDerWaalsContact O-CB 3.32Å; I76-L80 WeakPolarHBondContact O-CB 3.39Å; I76-L80 VanDerWaalsContact O-CG 3.26Å; I76-L80 WeakPolarHBondContact O-CG 3.19Å; I76-L80 PolarHBondContact O-N 3.05Å; T77-L80 PolarHBondContact O-N 3.34Å; K78-L80 PolarHBondContact O-N 2.86Å; L80-Q82 PolarHBondContact O-N 3.15Å; L80-Q82 VanDerWaalsContact O-N 3.16Å; L80-Y83 PolarHBondContact O-N 3.25Å; L80-V84 VanDerWaalsContact O-CG1 3.27Å; L80-V84 WeakPolarHBondContact O-CG1 3.34Å; L80-V84 PolarHBondContact O-N 3.15Å; L80-Y88 HydrophobicContact CD2-CE2 4.47Å; L80-F115 HydrophobicContact CD1-CE1 4.09Å; L80-F115 HydrophobicContact CD1-CZ 4.34Å; L80-F119 HydrophobicContact CB-CD1 3.87Å; L80-F119 HydrophobicContact CB-CE1 3.82Å
81E94Very high93.8Very high82 Ų8234.8 Ų34.838%0.38318%0.18SC..Hα-helixtrans-53.3-33.1176.6-84173178.600112.5T77 K78 Y83 V84 F119T77-E81 VanDerWaalsContact O-CG 3.3Å; T77-E81 WeakPolarHBondContact O-CG 3.44Å; T77-E81 PolarHBondContact O-N 3Å; K78-E81 IonicContact NZ-OE1 3.53Å; K78-E81 IonicContact NZ-OE2 2.85Å; K78-E81 PolarHBondContact NZ-OE2 3.35Å; K78-E81 WeakPolarHBondContact O-CB 3.12Å; K78-E81 PolarHBondContact O-N 2.99Å; E81-Y83 PolarHBondContact O-N 2.8Å; E81-V84 WeakPolarHBondContact O-CG2 3.46Å; E81-F119 HydrophobicContact CG-CE1 3.99Å; E81-F119 HydrophobicContact CG-CZ 3.7Å
82Q91.3Very high94Very high50 Ų5034.2 Ų34.223%0.23418%0.176CC..THydrogen-bonded Turntrans-69.6-16.5178.183.1-157.23.400113.9V24 T79 L80V24-Q82 HydrophobicContact CG1-CB 4.23Å; T79-Q82 WeakPolarHBondContact O-CG 3.4Å; L80-Q82 PolarHBondContact O-N 3.15Å; L80-Q82 VanDerWaalsContact O-N 3.16Å
83Y92Very high94Very high34 Ų3434.2 Ų34.213%0.13318%0.175CC..THydrogen-bonded Turntrans-108.9-12.7-178.3-56.3-71.7000113.6K52 I54 T79 L80 E81 S85 I86K52-Y83 HydrophobicContact CB-CD1 3.93Å; K52-Y83 HydrophobicContact CB-CE1 4.17Å; K52-Y83 HydrophobicContact CD-CE1 4.41Å; K52-Y83 HydrophobicContact CG-CD1 4.09Å; K52-Y83 HydrophobicContact CG-CE1 4.21Å; I54-Y83 HydrophobicContact CD1-CD1 4.23Å; I54-Y83 HydrophobicContact CD1-CD2 3.7Å; I54-Y83 HydrophobicContact CD1-CE2 4.06Å; I54-Y83 HydrophobicContact CD1-CG 3.78Å; I54-Y83 HydrophobicContact CG1-CD2 3.67Å; I54-Y83 HydrophobicContact CG1-CE2 3.57Å; I54-Y83 HydrophobicContact CG1-CG 4.23Å; T79-Y83 HydrophobicContact CG2-CE2 4.41Å; T79-Y83 VanDerWaalsContact O-CD2 3.29Å; T79-Y83 WeakPolarHBondContact O-CD2 3.42Å; T79-Y83 WeakPolarHBondContact O-CE2 3.23Å; L80-Y83 PolarHBondContact O-N 3.25Å; E81-Y83 PolarHBondContact O-N 2.8Å; Y83-S85 PolarHBondContact O-N 3Å; Y83-I86 HydrophobicContact CD1-CD1 4.27Å; Y83-I86 VanDerWaalsContact O-CG1 3.3Å; Y83-I86 WeakPolarHBondContact O-CG1 3.42Å; Y83-I86 PolarHBondContact O-N 3.12Å
84V91.3Very high93.8Very high31 Ų3134.6 Ų34.619%0.18818%0.177CC..THydrogen-bonded Turntrans-63.5-19.7-171.6-57.10000114L80 E81 F119 N122L80-V84 VanDerWaalsContact O-CG1 3.27Å; L80-V84 WeakPolarHBondContact O-CG1 3.34Å; L80-V84 PolarHBondContact O-N 3.15Å; E81-V84 WeakPolarHBondContact O-CG2 3.46Å; V84-F119 HydrophobicContact CG1-CB 4.26Å; V84-F119 HydrophobicContact CG1-CD1 3.32Å; V84-F119 HydrophobicContact CG1-CE1 3.66Å; V84-F119 HydrophobicContact CG1-CG 3.82Å; V84-F119 HydrophobicContact CG1-CZ 4.4Å; V84-N122 PolarHBondContact O-ND2 2.95Å
85S89Confident93.4Very high93 Ų9333.6 Ų33.665%0.6517%0.171SC*.THydrogen-bonded Turntrans-82.6-17.2178.258.30000113.8Y83 N122Y83-S85 PolarHBondContact O-N 3Å; S85-N122 VanDerWaalsContact C-ND2 3.3Å; S85-N122 PolarHBondContact O-ND2 2.98Å
86I91.2Very high92.6Very high74 Ų7434.5 Ų34.538%0.37918%0.181SC..SBendtrans-119.8163.7-177.558.6175.3000111.3K52 Y83 Y88 N122K52-I86 HydrophobicContact CB-CD1 4.33Å; K52-I86 HydrophobicContact CG-CD1 3.54Å; Y83-I86 HydrophobicContact CD1-CD1 4.27Å; Y83-I86 VanDerWaalsContact O-CG1 3.3Å; Y83-I86 WeakPolarHBondContact O-CG1 3.42Å; Y83-I86 PolarHBondContact O-N 3.12Å; I86-Y88 WeakPolarHBondContact O-CD1 3.31Å; I86-Y88 PolarHBondContact O-N 3.25Å; I86-N122 WeakPolarHBondContact O-CB 3.5Å
87D94.1Very high91.9Very high66 Ų6635.9 Ų35.935%0.35319%0.189SC..  trans-71.8126.4177.6-73.4-15.1000110.7R51 K52 N122 K124R51-D87 WeakPolarHBondContact CB-O 3.14Å; R51-D87 HydrophobicContact CG-CB 4.08Å; K52-D87 PolarHBondContact N-O 2.96Å; D87-N122 WeakPolarHBondContact CA-O 3.16Å; D87-K124 HydrophobicContact CB-CG 4.27Å; D87-K124 WeakPolarHBondContact OD1-CE 3.36Å; D87-K124 IonicContact OD1-NZ 3.21Å; D87-K124 PolarHBondContact OD1-NZ 3.46Å; D87-K124 WeakPolarHBondContact OD2-CE 3.39Å; D87-K124 IonicContact OD2-NZ 3.96Å; D87-K124 PolarHBondContact OD2-NZ 3.46Å
88Y94.9Very high90.9Very high5 Ų538.4 Ų38.42%0.0220%0.204CC..EExtended strand (participates in β ladder)trans-141.3159.4-175.973.7-85.9000113.6K52 I54 L80 I86 F119 N122 L123 K124K52-Y88 CarbonylContact O-C 3.6Å; K52-Y88 WeakPolarHBondContact O-CA 3.47Å; K52-Y88 WeakPolarHBondContact O-CB 3.47Å; I54-Y88 HydrophobicContact CD1-CD2 3.6Å; I54-Y88 HydrophobicContact CD1-CE2 4.47Å; I54-Y88 HydrophobicContact CD1-CG 4.05Å; L80-Y88 HydrophobicContact CD2-CE2 4.47Å; I86-Y88 WeakPolarHBondContact O-CD1 3.31Å; I86-Y88 PolarHBondContact O-N 3.25Å; Y88-F119 PolarHBondContact OH-O 3.37Å; Y88-N122 HydrophobicContact CD1-CB 4.46Å; Y88-N122 PolarHBondContact N-O 2.87Å; Y88-N122 VanDerWaalsContact N-O 3.13Å; Y88-L123 HydrophobicContact CD2-CD1 3.88Å; Y88-L123 HydrophobicContact CE1-CB 4Å; Y88-L123 HydrophobicContact CE2-CB 4.05Å; Y88-L123 HydrophobicContact CE2-CD1 3.57Å; Y88-L123 HydrophobicContact CE2-CG 4.31Å; Y88-L123 CarbonylContact O-C 3.51Å; Y88-L123 WeakPolarHBondContact O-CA 3.44Å; Y88-K124 PolarHBondContact O-N 3.26Å
89V94.8Very high89.7Confident4 Ų441.4 Ų41.42%0.02423%0.225CC..EExtended strand (participates in β ladder)trans-121.2133.8177.7173.90000108.7K52 I53 I54 I91 T125K52-V89 PolarHBondContact O-N 3.02Å; I53-V89 WeakPolarHBondContact CA-O 3.3Å; I54-V89 PolarHBondContact N-O 3.07Å; V89-I91 HydrophobicContact CG1-CG1 4.25Å; V89-T125 WeakPolarHBondContact CA-O 3.48Å
90L96.1Very high88.7Confident30 Ų3049 Ų4916%0.15726%0.258CS..EExtended strand (participates in β ladder)trans-108.9120.5174.9-177.858.7000109.1L41 I54 L123 T125 L126 C127L41-L90 HydrophobicContact CD1-CD1 4.48Å; I54-L90 HydrophobicContact CB-CD1 4.01Å; I54-L90 HydrophobicContact CG2-CD1 3.95Å; I54-L90 CarbonylContact O-C 3.49Å; I54-L90 WeakPolarHBondContact O-CA 3.42Å; I54-L90 WeakPolarHBondContact O-CD1 3.22Å; L90-L123 HydrophobicContact CB-CD1 3.94Å; L90-T125 PolarHBondContact N-O 2.87Å; L90-L126 HydrophobicContact CB-CD1 3.93Å; L90-L126 HydrophobicContact CD2-CD1 3.81Å; L90-L126 HydrophobicContact CG-CD1 3.75Å; L90-L126 CarbonylContact O-C 3.47Å; L90-L126 WeakPolarHBondContact O-CA 3.42Å; L90-C127 PolarHBondContact O-N 3.42Å
91I96.4Very high87.8Confident0 Ų049.5 Ų49.50%026%0.26CS..EExtended strand (participates in β ladder)trans-103.1121.8175.7-56.7176.3000107.8I53 I54 V55 F56 V89 F93 C127 V129 L167 L172I53-I91 HydrophobicContact CG2-CD1 3.53Å; I53-I91 HydrophobicContact CG2-CG1 4.01Å; I54-I91 PolarHBondContact O-N 3Å; V55-I91 CarbonylContact C-O 3.52Å; V55-I91 WeakPolarHBondContact CA-O 3.26Å; V55-I91 HydrophobicContact CG2-CB 4.24Å; V55-I91 HydrophobicContact CG2-CD1 4.4Å; F56-I91 PolarHBondContact N-O 3.25Å; V89-I91 HydrophobicContact CG1-CG1 4.25Å; I91-F93 HydrophobicContact CG2-CD1 4.41Å; I91-F93 HydrophobicContact CG2-CE1 3.97Å; I91-F93 HydrophobicContact CG2-CE2 4.17Å; I91-F93 HydrophobicContact CG2-CZ 3.82Å; I91-C127 CarbonylContact C-O 3.58Å; I91-C127 WeakPolarHBondContact CA-O 3.19Å; I91-V129 HydrophobicContact CG2-CG2 3.81Å; I91-L167 HydrophobicContact CD1-CD1 3.5Å; I91-L167 VanDerWaalsContact CD1-CD1 3.5Å; I91-L167 HydrophobicContact CD1-CD2 4.44Å; I91-L167 HydrophobicContact CG1-CD1 4.26Å; I91-L172 HydrophobicContact CD1-CD1 3.6Å; I91-L172 HydrophobicContact CD1-CD2 3.91Å; I91-L172 HydrophobicContact CD1-CG 4.43Å
92Y96.5Very high87.2Confident34 Ų3449.9 Ų49.913%0.13326%0.258CS..EExtended strand (participates in β ladder)trans-109103.6176.2175.6-129.3000109.6F56 A58 H94 C127 I128 V129F56-Y92 HydrophobicContact CB-CD2 4.15Å; F56-Y92 AromaticContact CD1-CD2 3.51Å; F56-Y92 HydrophobicContact CD1-CD2 3.51Å; F56-Y92 AromaticContact CD1-CE2 3.54Å; F56-Y92 HydrophobicContact CD1-CE2 3.54Å; F56-Y92 HydrophobicContact CE1-CD2 4.31Å; F56-Y92 AromaticContact CE1-CE2 3.89Å; F56-Y92 HydrophobicContact CE1-CE2 3.89Å; F56-Y92 HydrophobicContact CG-CD2 4.14Å; F56-Y92 WeakPolarHBondContact O-CA 3.46Å; A58-Y92 HydrophobicContact CB-CE2 3.91Å; Y92-H94 HydrophobicContact CD1-CB 4.22Å; Y92-H94 HydrophobicContact CE1-CB 3.78Å; Y92-H94 AromaticContact CE1-CG 3.92Å; Y92-H94 AromaticContact CE1-ND1 3.38Å; Y92-H94 WeakPolarHBondContact CE1-ND1 3.32Å; Y92-H94 AromaticContact CZ-ND1 3.56Å; Y92-H94 PolarHBondContact O-N 2.9Å; Y92-H94 VanDerWaalsContact O-N 3.16Å; Y92-H94 PolarHBondContact OH-ND1 3.34Å; Y92-H94 VanDerWaalsContact OH-ND1 3.08Å; Y92-C127 PolarHBondContact N-O 3.27Å; Y92-I128 HydrophobicContact CD1-CB 4.42Å; Y92-I128 HydrophobicContact CD1-CG1 4.08Å; Y92-I128 HydrophobicContact CD1-CG2 3.89Å; Y92-I128 HydrophobicContact CE1-CG2 4.43Å; Y92-V129 PolarHBondContact O-N 3.26Å
93F93.8Very high86.9Confident0 Ų048 Ų480%025%0.25CS..EExtended strand (participates in β ladder)trans-75.6101.2169.2-64.8-60.3000108.6V55 F56 A58 I91 V129 L160 I174 V178V55-F93 HydrophobicContact CG1-CD2 3.53Å; V55-F93 HydrophobicContact CG1-CE2 3.4Å; V55-F93 HydrophobicContact CG2-CE2 4.38Å; F56-F93 PolarHBondContact O-N 3Å; A58-F93 VanDerWaalsContact CB-O 3.22Å; A58-F93 WeakPolarHBondContact CB-O 3.25Å; A58-F93 PolarHBondContact N-O 3.49Å; I91-F93 HydrophobicContact CG2-CD1 4.41Å; I91-F93 HydrophobicContact CG2-CE1 3.97Å; I91-F93 HydrophobicContact CG2-CE2 4.17Å; I91-F93 HydrophobicContact CG2-CZ 3.82Å; F93-V129 HydrophobicContact CD1-CB 3.69Å; F93-V129 HydrophobicContact CD1-CG1 3.88Å; F93-V129 HydrophobicContact CD1-CG2 3.93Å; F93-V129 HydrophobicContact CE1-CB 4.06Å; F93-V129 HydrophobicContact CE1-CG1 4.03Å; F93-V129 HydrophobicContact CE1-CG2 3.88Å; F93-L160 HydrophobicContact CE1-CD2 3.71Å; F93-I174 HydrophobicContact CE1-CG2 4.34Å; F93-I174 HydrophobicContact CE2-CB 4.49Å; F93-I174 HydrophobicContact CE2-CG1 4.18Å; F93-I174 HydrophobicContact CE2-CG2 4.36Å; F93-I174 HydrophobicContact CZ-CB 4.36Å; F93-I174 HydrophobicContact CZ-CD1 4.21Å; F93-I174 HydrophobicContact CZ-CG1 3.75Å; F93-I174 HydrophobicContact CZ-CG2 4.11Å; F93-V178 HydrophobicContact CB-CG1 4.5Å; F93-V178 HydrophobicContact CB-CG2 4.04Å; F93-V178 HydrophobicContact CD1-CG1 3.76Å; F93-V178 HydrophobicContact CE1-CG1 4.3Å; F93-V178 HydrophobicContact CG-CG1 4.24Å; F93-V178 HydrophobicContact CG-CG2 4.35Å
94H92Very high86.7Confident11 Ų1154.6 Ų54.65%0.05128%0.28CS..  trans-75.5-26.7-174.2-177.558.4000112.9Y92 G96 L97 I128 V129 H130 T132Y92-H94 HydrophobicContact CD1-CB 4.22Å; Y92-H94 HydrophobicContact CE1-CB 3.78Å; Y92-H94 AromaticContact CE1-CG 3.92Å; Y92-H94 AromaticContact CE1-ND1 3.38Å; Y92-H94 WeakPolarHBondContact CE1-ND1 3.32Å; Y92-H94 AromaticContact CZ-ND1 3.56Å; Y92-H94 PolarHBondContact O-N 2.9Å; Y92-H94 VanDerWaalsContact O-N 3.16Å; Y92-H94 PolarHBondContact OH-ND1 3.34Å; Y92-H94 VanDerWaalsContact OH-ND1 3.08Å; H94-G96 PolarHBondContact O-N 2.91Å; H94-L97 WeakPolarHBondContact O-CB 3.22Å; H94-L97 PolarHBondContact O-N 3.4Å; H94-L97 VanDerWaalsContact O-N 3.15Å; H94-I128 HydrophobicContact CB-CG2 4.17Å; H94-V129 WeakPolarHBondContact CB-O 3.48Å; H94-V129 PolarHBondContact N-O 2.93Å; H94-V129 VanDerWaalsContact N-O 3.08Å; H94-H130 PolarHBondContact CD2-O 3.18Å; H94-T132 WeakPolarHBondContact NE2-CG2 3.5Å; H94-T132 PolarHBondContact NE2-OG1 2.78Å
95F87.7Confident86.3Confident63 Ų6358.1 Ų58.128%0.27629%0.293SS..THydrogen-bonded Turntrans-54.2136.7179.3-178.7-104.9000111.9C59 H130 R177 V178 Y181C59-F95 WeakPolarHBondContact CB-O 3.5Å; C59-F95 PolarHBondContact N-O 2.82Å; C59-F95 VanDerWaalsContact N-O 3.16Å; F95-H130 HydrophobicContact CB-CB 4.47Å; F95-R177 HydrophobicContact CD1-CB 4.48Å; F95-R177 HydrophobicContact CE1-CB 4.09Å; F95-R177 VanDerWaalsContact CE1-O 3.27Å; F95-R177 WeakPolarHBondContact CE1-O 3.44Å; F95-V178 HydrophobicContact CB-CG2 4.41Å; F95-V178 HydrophobicContact CD1-CG2 4.31Å; F95-Y181 HydrophobicContact CB-CD1 4.31Å; F95-Y181 HydrophobicContact CD1-CG 4.23Å; F95-Y181 AromaticContact CD2-CD1 3.66Å; F95-Y181 HydrophobicContact CD2-CD1 3.66Å; F95-Y181 AromaticContact CD2-CD2 3.44Å; F95-Y181 HydrophobicContact CD2-CD2 3.44Å; F95-Y181 VanDerWaalsContact CD2-CD2 3.44Å; F95-Y181 AromaticContact CD2-CE1 3.99Å; F95-Y181 HydrophobicContact CD2-CE1 3.99Å; F95-Y181 AromaticContact CD2-CE2 3.76Å; F95-Y181 HydrophobicContact CD2-CE2 3.76Å; F95-Y181 AromaticContact CD2-CG 3.35Å; F95-Y181 HydrophobicContact CD2-CG 3.35Å; F95-Y181 HydrophobicContact CE1-CG 4.26Å; F95-Y181 HydrophobicContact CE2-CD1 4.18Å; F95-Y181 AromaticContact CE2-CD2 3.08Å; F95-Y181 HydrophobicContact CE2-CD2 3.08Å; F95-Y181 AromaticContact CE2-CE2 3.58Å; F95-Y181 HydrophobicContact CE2-CE2 3.58Å; F95-Y181 AromaticContact CE2-CG 3.41Å; F95-Y181 HydrophobicContact CE2-CG 3.41Å; F95-Y181 VanDerWaalsContact CE2-CG 3.41Å; F95-Y181 AromaticContact CG-CD1 3.97Å; F95-Y181 HydrophobicContact CG-CD1 3.97Å; F95-Y181 HydrophobicContact CG-CD2 4.32Å; F95-Y181 AromaticContact CG-CG 3.8Å; F95-Y181 HydrophobicContact CG-CG 3.8Å; F95-Y181 AromaticContact CZ-CD2 3.71Å; F95-Y181 HydrophobicContact CZ-CD2 3.71Å; F95-Y181 AromaticContact CZ-CG 3.88Å; F95-Y181 HydrophobicContact CZ-CG 3.88Å
96G78.2Confident86.3Confident24 Ų2462 Ų6225%0.24730%0.298CS..THydrogen-bonded Turntrans90.4-5.2-175.300000115.2H94 T98 N101H94-G96 PolarHBondContact O-N 2.91Å; G96-T98 PolarHBondContact O-N 2.87Å; G96-N101 PolarHBondContact O-ND2 3.39Å
97L79.1Confident86.3Confident39 Ų3960 Ų6020%0.20429%0.285CS..  trans-73.5123.3168.3-158.778.8000110.2A58 L61 H94 N101 R102A58-L97 HydrophobicContact CB-CB 3.91Å; A58-L97 HydrophobicContact CB-CD1 4.06Å; L61-L97 HydrophobicContact CD1-CD1 4.04Å; H94-L97 WeakPolarHBondContact O-CB 3.22Å; H94-L97 PolarHBondContact O-N 3.4Å; H94-L97 VanDerWaalsContact O-N 3.15Å; L97-N101 WeakPolarHBondContact CA-OD1 3.33Å; L97-R102 HydrophobicContact CD1-CB 4.34Å; L97-R102 HydrophobicContact CD2-CB 4.32Å; L97-R102 HydrophobicContact CD2-CG 4.11Å; L97-R102 HydrophobicContact CG-CB 4.14Å; L97-R102 HydrophobicContact CG-CG 4.48Å
98T74.2Confident86Confident71 Ų7158.7 Ų58.744%0.43628%0.278SS..  trans-132.3170.4179.568.50000109.9G96 K100 N101 R102G96-T98 PolarHBondContact O-N 2.87Å; T98-K100 PolarHBondContact O-N 3.46Å; T98-K100 VanDerWaalsContact O-N 3.1Å; T98-K100 PolarHBondContact OG1-N 3.32Å; T98-N101 PolarHBondContact N-OD1 3.31Å; T98-N101 PolarHBondContact O-N 2.83Å; T98-N101 PolarHBondContact O-OD1 2.92Å; T98-N101 PolarHBondContact OG1-OD1 2.89Å; T98-R102 WeakPolarHBondContact O-CB 3.33Å; T98-R102 PolarHBondContact O-N 2.85Å
99N69.8Low85.7Confident151 Ų15160 Ų6081%0.80729%0.286SS*.THydrogen-bonded Turntrans-60.9-19.8174.7-69.2-27.8000113.4
100K71.6Confident85.5Confident161 Ų16163.4 Ų63.470%0.730%0.301SS*.THydrogen-bonded Turntrans-76.9-33.9179.3-63.9-174.8178.8-177.20113.2A63 A64 T98A63-K100 WeakPolarHBondContact CA-O 3.29Å; A64-K100 WeakPolarHBondContact CB-O 3.39Å; A64-K100 PolarHBondContact N-O 3.38Å; T98-K100 PolarHBondContact O-N 3.46Å; T98-K100 VanDerWaalsContact O-N 3.1Å; T98-K100 PolarHBondContact OG1-N 3.32Å
101N76.4Confident85.3Confident16 Ų1662.3 Ų62.39%0.08630%0.296CS..THydrogen-bonded Turntrans-113.3-4.9-176.96411.4000114L61 P62 G96 L97 T98 P103L61-N101 HydrophobicContact CB-CB 4.25Å; L61-N101 PolarHBondContact O-ND2 2.91Å; P62-N101 WeakPolarHBondContact O-CB 3.41Å; G96-N101 PolarHBondContact O-ND2 3.39Å; L97-N101 WeakPolarHBondContact CA-OD1 3.33Å; T98-N101 PolarHBondContact N-OD1 3.31Å; T98-N101 PolarHBondContact O-N 2.83Å; T98-N101 PolarHBondContact O-OD1 2.92Å; T98-N101 PolarHBondContact OG1-OD1 2.89Å; N101-P103 WeakPolarHBondContact O-CD 3.42Å
102R81.3Confident84.8Confident91 Ų9164 Ų6434%0.34330%0.303SS..PPolyproline II helixtrans-70.5128.9-177.1175.1176.8178.5-171.12.7111.7L97 T98L97-R102 HydrophobicContact CD1-CB 4.34Å; L97-R102 HydrophobicContact CD2-CB 4.32Å; L97-R102 HydrophobicContact CD2-CG 4.11Å; L97-R102 HydrophobicContact CG-CB 4.14Å; L97-R102 HydrophobicContact CG-CG 4.48Å; T98-R102 WeakPolarHBondContact O-CB 3.33Å; T98-R102 PolarHBondContact O-N 2.85Å
103P84.7Confident84.5Confident10 Ų1070.2 Ų70.27%0.06533%0.326CS..PPolyproline II helixtrans-58.4143.2169.6-27.135.9000113.4H69 N101 W107 L108H69-P103 WeakPolarHBondContact NE2-CA 3.06Å; N101-P103 WeakPolarHBondContact O-CD 3.42Å; P103-W107 HydrophobicContact CB-CB 4.38Å; P103-W107 HydrophobicContact CB-CD2 3.78Å; P103-W107 HydrophobicContact CB-CE3 3.25Å; P103-W107 HydrophobicContact CB-CG 4.27Å; P103-W107 HydrophobicContact CB-CZ3 3.77Å; P103-W107 HydrophobicContact CG-CD2 4.45Å; P103-W107 HydrophobicContact CG-CE3 3.8Å; P103-W107 HydrophobicContact CG-CH2 4.39Å; P103-W107 HydrophobicContact CG-CZ3 3.77Å; P103-L108 HydrophobicContact CB-CG 4.44Å
104K87.4Confident84.3Confident173 Ų17373 Ų7375%0.75234%0.343SS*.PPolyproline II helixtrans-58.9149.3175.8-65.7-179.4-179.3175.30111K106 W107 L108K104-K106 PolarHBondContact O-N 3.41Å; K104-W107 WeakPolarHBondContact O-CA 3.39Å; K104-W107 VanDerWaalsContact O-CB 3.32Å; K104-W107 WeakPolarHBondContact O-CB 3.45Å; K104-W107 PolarHBondContact O-N 3.35Å; K104-L108 PolarHBondContact O-N 3.46Å; K104-L108 VanDerWaalsContact O-N 3.08Å
105F84.2Confident84.3Confident105 Ų10574.4 Ų74.446%0.46135%0.349SS..Hα-helixtrans-54.6-39.1178.3-177.3-96.8000113.3W107 L108 L109 L138 F142F105-W107 VanDerWaalsContact C-N 3.28Å; F105-W107 PolarHBondContact O-N 3.34Å; F105-L108 WeakPolarHBondContact O-CB 3.35Å; F105-L108 PolarHBondContact O-N 2.85Å; F105-L108 VanDerWaalsContact O-N 3.16Å; F105-L109 PolarHBondContact O-N 3.4Å; F105-L138 HydrophobicContact CD2-CD1 3.97Å; F105-L138 HydrophobicContact CE2-CD1 3.88Å; F105-F142 HydrophobicContact CE2-CE2 4.1Å; F105-F142 AromaticContact CE2-CZ 4Å; F105-F142 HydrophobicContact CE2-CZ 4Å; F105-F142 HydrophobicContact CZ-CZ 4.35Å
106K88Confident84.2Confident175 Ų17572.5 Ų72.576%0.76135%0.348SS*.Hα-helixtrans-58.1-40.7175.2-172.5-178.4178.7-1760112K104 L109 Q110K104-K106 PolarHBondContact O-N 3.41Å; K106-L109 PolarHBondContact O-N 3.15Å; K106-Q110 WeakPolarHBondContact O-CB 3.45Å; K106-Q110 PolarHBondContact O-N 3.29Å
107W92.2Very high84.6Confident30 Ų3081.2 Ų81.211%0.11437%0.373CS..Hα-helixtrans-67.1-42.7175.8-178.190.9000111.4H69 L72 L73 I76 P103 K104 F105 L109 Q110 A111H69-W107 HydrophobicContact CB-CG 4.3Å; H69-W107 PolarHBondContact O-NE1 3.25Å; L72-W107 HydrophobicContact CD2-CH2 4.45Å; L72-W107 HydrophobicContact CD2-CZ2 4.21Å; L72-W107 HydrophobicContact CG-CZ2 4.37Å; L73-W107 HydrophobicContact CB-CZ2 3.86Å; L73-W107 HydrophobicContact CD1-CZ2 4.26Å; I76-W107 HydrophobicContact CD1-CH2 4.34Å; P103-W107 HydrophobicContact CB-CB 4.38Å; P103-W107 HydrophobicContact CB-CD2 3.78Å; P103-W107 HydrophobicContact CB-CE3 3.25Å; P103-W107 HydrophobicContact CB-CG 4.27Å; P103-W107 HydrophobicContact CB-CZ3 3.77Å; P103-W107 HydrophobicContact CG-CD2 4.45Å; P103-W107 HydrophobicContact CG-CE3 3.8Å; P103-W107 HydrophobicContact CG-CH2 4.39Å; P103-W107 HydrophobicContact CG-CZ3 3.77Å; K104-W107 WeakPolarHBondContact O-CA 3.39Å; K104-W107 VanDerWaalsContact O-CB 3.32Å; K104-W107 WeakPolarHBondContact O-CB 3.45Å; K104-W107 PolarHBondContact O-N 3.35Å; F105-W107 VanDerWaalsContact C-N 3.28Å; F105-W107 PolarHBondContact O-N 3.34Å; W107-L109 VanDerWaalsContact C-N 3.31Å; W107-L109 PolarHBondContact O-N 3.01Å; W107-Q110 CarbonylContact O-C 3.54Å; W107-Q110 WeakPolarHBondContact O-CB 3.29Å; W107-Q110 PolarHBondContact O-N 3.17Å; W107-Q110 VanDerWaalsContact O-N 3.16Å; W107-A111 HydrophobicContact CE3-CB 4.28Å; W107-A111 HydrophobicContact CH2-CB 4.3Å; W107-A111 HydrophobicContact CZ3-CB 4.15Å; W107-A111 WeakPolarHBondContact O-CB 3.35Å; W107-A111 PolarHBondContact O-N 2.91Å
108L87.9Confident85Confident40 Ų4085.1 Ų85.121%0.20939%0.394CS..Hα-helixtrans-60.3-41.7176.7-68.8164.6000111.9P103 K104 F105 Y112 L138 F142P103-L108 HydrophobicContact CB-CG 4.44Å; K104-L108 PolarHBondContact O-N 3.46Å; K104-L108 VanDerWaalsContact O-N 3.08Å; F105-L108 WeakPolarHBondContact O-CB 3.35Å; F105-L108 PolarHBondContact O-N 2.85Å; F105-L108 VanDerWaalsContact O-N 3.16Å; L108-Y112 WeakPolarHBondContact O-CB 3.36Å; L108-Y112 PolarHBondContact O-N 3.45Å; L108-L138 HydrophobicContact CD1-CD2 3.93Å; L108-F142 HydrophobicContact CB-CZ 4.06Å
109L86.8Confident85.8Confident33 Ų3382.6 Ų82.617%0.17338%0.377CS..Hα-helixtrans-67.2-38.6175.3-176.263000112.3F105 K106 W107 R113 F142F105-L109 PolarHBondContact O-N 3.4Å; K106-L109 PolarHBondContact O-N 3.15Å; W107-L109 VanDerWaalsContact C-N 3.31Å; W107-L109 PolarHBondContact O-N 3.01Å; L109-R113 WeakPolarHBondContact O-CG 3.32Å; L109-R113 PolarHBondContact O-N 3.06Å; L109-R113 VanDerWaalsContact O-N 3.13Å; L109-F142 HydrophobicContact CB-CE1 4.33Å; L109-F142 HydrophobicContact CD1-CE1 3.83Å
110Q91.7Very high86.8Confident74 Ų7477.9 Ų77.935%0.34635%0.348SS..Hα-helixtrans-62.5-51.5173.4-179.4-174-8.700110.8L73 K106 W107 Y112 R113 T114L73-Q110 HydrophobicContact CD2-CG 4Å; K106-Q110 WeakPolarHBondContact O-CB 3.45Å; K106-Q110 PolarHBondContact O-N 3.29Å; W107-Q110 CarbonylContact O-C 3.54Å; W107-Q110 WeakPolarHBondContact O-CB 3.29Å; W107-Q110 PolarHBondContact O-N 3.17Å; W107-Q110 VanDerWaalsContact O-N 3.16Å; Q110-Y112 VanDerWaalsContact C-N 3.29Å; Q110-Y112 PolarHBondContact O-N 3.47Å; Q110-R113 WeakPolarHBondContact O-CA 3.41Å; Q110-R113 WeakPolarHBondContact O-CB 3.42Å; Q110-R113 PolarHBondContact O-N 3.28Å; Q110-T114 PolarHBondContact O-N 3.08Å; Q110-T114 PolarHBondContact O-OG1 3.13Å; Q110-T114 VanDerWaalsContact O-OG1 3.09Å
111A91.5Very high87.7Confident7 Ų777 Ų776%0.05834%0.344CS..Hα-helixtrans-54.8-46.4177.800000111.3L73 W107 R113 T114 F115L73-A111 HydrophobicContact CD1-CB 3.61Å; L73-A111 HydrophobicContact CD2-CB 4.36Å; W107-A111 HydrophobicContact CE3-CB 4.28Å; W107-A111 HydrophobicContact CH2-CB 4.3Å; W107-A111 HydrophobicContact CZ3-CB 4.15Å; W107-A111 WeakPolarHBondContact O-CB 3.35Å; W107-A111 PolarHBondContact O-N 2.91Å; A111-R113 VanDerWaalsContact C-N 3.31Å; A111-R113 PolarHBondContact O-N 2.82Å; A111-T114 WeakPolarHBondContact O-CB 3.39Å; A111-T114 PolarHBondContact O-N 2.88Å; A111-F115 HydrophobicContact CB-CE2 4.17Å; A111-F115 WeakPolarHBondContact O-CD2 3.34Å; A111-F115 WeakPolarHBondContact O-CG 3.29Å; A111-F115 PolarHBondContact O-N 3.19Å
112Y86.6Confident88.5Confident36 Ų3677.5 Ų77.514%0.14135%0.347CS..Hα-helixtrans-55.3-45.8174.7178.3-103000112.5L108 Q110 F115 R120 F145 I146L108-Y112 WeakPolarHBondContact O-CB 3.36Å; L108-Y112 PolarHBondContact O-N 3.45Å; Q110-Y112 VanDerWaalsContact C-N 3.29Å; Q110-Y112 PolarHBondContact O-N 3.47Å; Y112-F115 PolarHBondContact O-N 3.4Å; Y112-R120 VanDerWaalsContact CE1-NH2 3.31Å; Y112-R120 VanDerWaalsContact CE2-NH2 3.31Å; Y112-R120 PolarHBondContact O-NH2 3.19Å; Y112-R120 PolarHBondContact OH-NH1 3.15Å; Y112-R120 PolarHBondContact OH-NH2 3.07Å; Y112-F145 HydrophobicContact CD1-CB 4.5Å; Y112-F145 HydrophobicContact CE1-CB 3.99Å; Y112-F145 VanDerWaalsContact CE1-O 3.32Å; Y112-F145 WeakPolarHBondContact CE1-O 3.3Å; Y112-F145 PolarHBondContact OH-O 3.29Å; Y112-I146 HydrophobicContact CD2-CG1 4.34Å; Y112-I146 HydrophobicContact CE1-CG1 4.41Å; Y112-I146 HydrophobicContact CE2-CD1 4.2Å; Y112-I146 HydrophobicContact CE2-CG1 3.49Å; Y112-I146 VanDerWaalsContact CE2-CG1 3.49Å; Y112-I146 VanDerWaalsContact OH-CA 3.23Å; Y112-I146 WeakPolarHBondContact OH-CA 3.3Å; Y112-I146 WeakPolarHBondContact OH-CG1 3.45Å
113R88.8Confident89.1Confident165 Ų16573.7 Ų73.762%0.62333%0.333SS*.Hα-helixtrans-68.6-38.4179.1-71.5174.2179.9175.60112.4L109 Q110 A111 F115L109-R113 WeakPolarHBondContact O-CG 3.32Å; L109-R113 PolarHBondContact O-N 3.06Å; L109-R113 VanDerWaalsContact O-N 3.13Å; Q110-R113 WeakPolarHBondContact O-CA 3.41Å; Q110-R113 WeakPolarHBondContact O-CB 3.42Å; Q110-R113 PolarHBondContact O-N 3.28Å; A111-R113 VanDerWaalsContact C-N 3.31Å; A111-R113 PolarHBondContact O-N 2.82Å; R113-F115 VanDerWaalsContact C-N 3.32Å; R113-F115 PolarHBondContact O-N 3.21Å
114T91.3Very high89.6Confident57 Ų5776.7 Ų76.735%0.3535%0.345SS..Hα-helixtrans-59.1-44.2174.7-58.80000111T77 Q110 A111 G116T77-T114 HydrophobicContact CG2-CG2 4.13Å; Q110-T114 PolarHBondContact O-N 3.08Å; Q110-T114 PolarHBondContact O-OG1 3.13Å; Q110-T114 VanDerWaalsContact O-OG1 3.09Å; A111-T114 WeakPolarHBondContact O-CB 3.39Å; A111-T114 PolarHBondContact O-N 2.88Å; T114-G116 PolarHBondContact O-N 3.1Å
115F90.2Very high89.9Confident41 Ų4170.1 Ų70.118%0.1832%0.32CS..SBendtrans-77.369.8175.3-56.3-46.3000111.3L73 I76 L80 A111 Y112 R113 F119 R120L73-F115 HydrophobicContact CD1-CE2 4.19Å; L73-F115 HydrophobicContact CD1-CZ 3.83Å; I76-F115 HydrophobicContact CB-CZ 4.29Å; I76-F115 HydrophobicContact CG2-CE1 4.22Å; I76-F115 HydrophobicContact CG2-CE2 4.43Å; I76-F115 HydrophobicContact CG2-CZ 3.57Å; L80-F115 HydrophobicContact CD1-CE1 4.09Å; L80-F115 HydrophobicContact CD1-CZ 4.34Å; A111-F115 HydrophobicContact CB-CE2 4.17Å; A111-F115 WeakPolarHBondContact O-CD2 3.34Å; A111-F115 WeakPolarHBondContact O-CG 3.29Å; A111-F115 PolarHBondContact O-N 3.19Å; Y112-F115 PolarHBondContact O-N 3.4Å; R113-F115 VanDerWaalsContact C-N 3.32Å; R113-F115 PolarHBondContact O-N 3.21Å; F115-F119 HydrophobicContact CB-CB 4.12Å; F115-F119 HydrophobicContact CB-CD2 4.37Å; F115-F119 HydrophobicContact CB-CG 4.22Å; F115-F119 AromaticContact CD1-CD1 3.87Å; F115-F119 HydrophobicContact CD1-CD1 3.87Å; F115-F119 HydrophobicContact CD1-CD2 4.22Å; F115-F119 HydrophobicContact CD1-CE1 4.08Å; F115-F119 HydrophobicContact CD1-CE2 4.41Å; F115-F119 AromaticContact CD1-CG 3.95Å; F115-F119 HydrophobicContact CD1-CG 3.95Å; F115-F119 HydrophobicContact CD1-CZ 4.35Å; F115-F119 HydrophobicContact CE1-CE1 4.45Å; F115-R120 PolarHBondContact O-NE 2.9Å; F115-R120 PolarHBondContact O-NH2 3.43Å
116G86.6Confident90.4Very high24 Ų2466.8 Ų66.825%0.24731%0.306CS..  trans-69.5-158.1-179.400000114.4T114 N118 F119 R120T114-G116 PolarHBondContact O-N 3.1Å; G116-N118 VanDerWaalsContact C-N 3.25Å; G116-N118 PolarHBondContact O-N 2.92Å; G116-F119 PolarHBondContact O-N 3.46Å; G116-R120 WeakPolarHBondContact O-CG 3.35Å; G116-R120 PolarHBondContact O-N 3.22Å
117R86.4Confident90.7Very high207 Ų20758.7 Ų58.778%0.78127%0.272SS*.Hα-helixtrans-56.1-37.6-175.5-173.1-179.5-179.2-155.81.5113.3R120 K121R117-R120 PolarHBondContact O-N 2.85Å; R117-K121 WeakPolarHBondContact O-CB 3.37Å; R117-K121 PolarHBondContact O-N 3.16Å
118N87.2Confident90.9Very high120 Ų12057.5 Ų57.564%0.64227%0.268SS*.Hα-helixtrans-63-46.8-174.8-64-10000111.6G116G116-N118 VanDerWaalsContact C-N 3.25Å; G116-N118 PolarHBondContact O-N 2.92Å
119F91.5Very high91.2Very high19 Ų1955.6 Ų55.68%0.08326%0.258CS..Hα-helixtrans-64.2-45.2175.3-62.4-91.7000111.6T77 L80 E81 V84 Y88 F115 G116 K121T77-F119 HydrophobicContact CG2-CE1 4.39Å; T77-F119 HydrophobicContact CG2-CZ 3.77Å; L80-F119 HydrophobicContact CB-CD1 3.87Å; L80-F119 HydrophobicContact CB-CE1 3.82Å; E81-F119 HydrophobicContact CG-CE1 3.99Å; E81-F119 HydrophobicContact CG-CZ 3.7Å; V84-F119 HydrophobicContact CG1-CB 4.26Å; V84-F119 HydrophobicContact CG1-CD1 3.32Å; V84-F119 HydrophobicContact CG1-CE1 3.66Å; V84-F119 HydrophobicContact CG1-CG 3.82Å; V84-F119 HydrophobicContact CG1-CZ 4.4Å; Y88-F119 PolarHBondContact OH-O 3.37Å; F115-F119 HydrophobicContact CB-CB 4.12Å; F115-F119 HydrophobicContact CB-CD2 4.37Å; F115-F119 HydrophobicContact CB-CG 4.22Å; F115-F119 AromaticContact CD1-CD1 3.87Å; F115-F119 HydrophobicContact CD1-CD1 3.87Å; F115-F119 HydrophobicContact CD1-CD2 4.22Å; F115-F119 HydrophobicContact CD1-CE1 4.08Å; F115-F119 HydrophobicContact CD1-CE2 4.41Å; F115-F119 AromaticContact CD1-CG 3.95Å; F115-F119 HydrophobicContact CD1-CG 3.95Å; F115-F119 HydrophobicContact CD1-CZ 4.35Å; F115-F119 HydrophobicContact CE1-CE1 4.45Å; G116-F119 PolarHBondContact O-N 3.46Å; F119-K121 PolarHBondContact O-N 3.26Å
120R91.1Very high91.4Very high51 Ų5154.4 Ų54.419%0.19225%0.251CS..Hα-helixtrans-75.7-19-172.1-61.1175-162.11674.7114.4Y112 F115 G116 R117 M150 K153Y112-R120 VanDerWaalsContact CE1-NH2 3.31Å; Y112-R120 VanDerWaalsContact CE2-NH2 3.31Å; Y112-R120 PolarHBondContact O-NH2 3.19Å; Y112-R120 PolarHBondContact OH-NH1 3.15Å; Y112-R120 PolarHBondContact OH-NH2 3.07Å; F115-R120 PolarHBondContact O-NE 2.9Å; F115-R120 PolarHBondContact O-NH2 3.43Å; G116-R120 WeakPolarHBondContact O-CG 3.35Å; G116-R120 PolarHBondContact O-N 3.22Å; R117-R120 PolarHBondContact O-N 2.85Å; R120-M150 HydrophobicContact CB-SD 4.06Å; R120-M150 HydrophobicContact CG-CG 4.46Å; R120-M150 HydrophobicContact CG-SD 3.94Å; R120-K153 PolarHBondContact O-NZ 3.35Å
121K90.4Very high91.2Very high144 Ų14451.5 Ų51.563%0.62624%0.239SC*.Hα-helixtrans-63-54.4-174.6-174.4-173.7173.4-170.90110.9R117 F119 K153R117-K121 WeakPolarHBondContact O-CB 3.37Å; R117-K121 PolarHBondContact O-N 3.16Å; F119-K121 PolarHBondContact O-N 3.26Å; K121-K153 PolarHBondContact O-NZ 2.84Å
122N92.6Very high90.7Very high26 Ų2654.3 Ų54.314%0.13926%0.255CS..Hα-helixtrans-98.8-6.2-172.2-62.1-25.7000114.4V84 S85 I86 D87 Y88 K124V84-N122 PolarHBondContact O-ND2 2.95Å; S85-N122 VanDerWaalsContact C-ND2 3.3Å; S85-N122 PolarHBondContact O-ND2 2.98Å; I86-N122 WeakPolarHBondContact O-CB 3.5Å; D87-N122 WeakPolarHBondContact CA-O 3.16Å; Y88-N122 HydrophobicContact CD1-CB 4.46Å; Y88-N122 PolarHBondContact N-O 2.87Å; Y88-N122 VanDerWaalsContact N-O 3.13Å; N122-K124 PolarHBondContact O-N 2.68Å
123L94.6Very high89.9Confident10 Ų1058.5 Ų58.55%0.05229%0.285CS..EExtended strand (participates in β ladder)trans-57.5119.8163.1178.358.2000109Y88 L90 T125 M150 K153Y88-L123 HydrophobicContact CD2-CD1 3.88Å; Y88-L123 HydrophobicContact CE1-CB 4Å; Y88-L123 HydrophobicContact CE2-CB 4.05Å; Y88-L123 HydrophobicContact CE2-CD1 3.57Å; Y88-L123 HydrophobicContact CE2-CG 4.31Å; Y88-L123 CarbonylContact O-C 3.51Å; Y88-L123 WeakPolarHBondContact O-CA 3.44Å; L90-L123 HydrophobicContact CB-CD1 3.94Å; L123-T125 VanDerWaalsContact CD1-O 3.31Å; L123-T125 WeakPolarHBondContact CD1-O 3.38Å; L123-M150 HydrophobicContact CD2-CE 3.51Å; L123-M150 HydrophobicContact CD2-SD 4.08Å; L123-K153 WeakPolarHBondContact O-CD 3.49Å; L123-K153 WeakPolarHBondContact O-CE 3.23Å; L123-K153 PolarHBondContact O-NZ 3.13Å
124K94.5Very high89.1Confident73 Ų7352.6 Ų52.632%0.31728%0.275SS..EExtended strand (participates in β ladder)trans-92.7-43178.1-62.2-56.8176.6172.10112.5D87 Y88 N122 K153D87-K124 HydrophobicContact CB-CG 4.27Å; D87-K124 WeakPolarHBondContact OD1-CE 3.36Å; D87-K124 IonicContact OD1-NZ 3.21Å; D87-K124 PolarHBondContact OD1-NZ 3.46Å; D87-K124 WeakPolarHBondContact OD2-CE 3.39Å; D87-K124 IonicContact OD2-NZ 3.96Å; D87-K124 PolarHBondContact OD2-NZ 3.46Å; Y88-K124 PolarHBondContact O-N 3.26Å; N122-K124 PolarHBondContact O-N 2.68Å; K124-K153 WeakPolarHBondContact O-CG 3.4Å
125T93.8Very high88.7Confident35 Ų3550.8 Ų50.822%0.21526%0.263CS..EExtended strand (participates in β ladder)trans-141.3131.8-178.1-550000109.6V89 L90 L123 C127 K153 V155V89-T125 WeakPolarHBondContact CA-O 3.48Å; L90-T125 PolarHBondContact N-O 2.87Å; L123-T125 VanDerWaalsContact CD1-O 3.31Å; L123-T125 WeakPolarHBondContact CD1-O 3.38Å; T125-C127 HydrophobicContact CG2-CB 4.3Å; T125-K153 CarbonylContact C-O 3.53Å; T125-K153 WeakPolarHBondContact CA-O 3.48Å; T125-V155 HydrophobicContact CG2-CB 4.07Å; T125-V155 HydrophobicContact CG2-CG2 3.79Å
126L94.8Very high88.3Confident35 Ų3552.2 Ų52.218%0.18327%0.269CS..EExtended strand (participates in β ladder)trans-103.999.7161.8173.157.1000107.2L90 I128 K153 V154 V155L90-L126 HydrophobicContact CB-CD1 3.93Å; L90-L126 HydrophobicContact CD2-CD1 3.81Å; L90-L126 HydrophobicContact CG-CD1 3.75Å; L90-L126 CarbonylContact O-C 3.47Å; L90-L126 WeakPolarHBondContact O-CA 3.42Å; L126-I128 HydrophobicContact CG-CG1 4.45Å; L126-K153 PolarHBondContact N-O 3.09Å; L126-V154 HydrophobicContact CD2-CG2 4.28Å; L126-V154 WeakPolarHBondContact O-CA 3.39Å; L126-V155 PolarHBondContact O-N 3.23Å
127C95.4Very high87.7Confident6 Ų657.2 Ų57.24%0.04129%0.285CS..EExtended strand (participates in β ladder)trans-91.8118.8-179.4-169.70000110.1L90 I91 Y92 T125 V155 L163L90-C127 PolarHBondContact O-N 3.42Å; I91-C127 CarbonylContact C-O 3.58Å; I91-C127 WeakPolarHBondContact CA-O 3.19Å; Y92-C127 PolarHBondContact N-O 3.27Å; T125-C127 HydrophobicContact CG2-CB 4.3Å; C127-V155 CarbonylContact C-O 3.57Å; C127-V155 WeakPolarHBondContact CA-O 3.49Å; C127-L163 WeakPolarHBondContact SG-CD2 3.11Å
128I95.4Very high87.2Confident5 Ų548.1 Ų48.13%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-100.9110.5175.5-58.1-179.8000107.8Y92 H94 L126 P131 I135 V154 V155 Y156 A157Y92-I128 HydrophobicContact CD1-CB 4.42Å; Y92-I128 HydrophobicContact CD1-CG1 4.08Å; Y92-I128 HydrophobicContact CD1-CG2 3.89Å; Y92-I128 HydrophobicContact CE1-CG2 4.43Å; H94-I128 HydrophobicContact CB-CG2 4.17Å; L126-I128 HydrophobicContact CG-CG1 4.45Å; I128-P131 HydrophobicContact CG2-CB 4.04Å; I128-I135 HydrophobicContact CD1-CG1 4.13Å; I128-I135 HydrophobicContact CG2-CG1 4.33Å; I128-I135 HydrophobicContact CG2-CG2 4.3Å; I128-V154 HydrophobicContact CD1-CG1 3.9Å; I128-V154 HydrophobicContact CG1-CG1 4.4Å; I128-V155 PolarHBondContact N-O 2.89Å; I128-Y156 HydrophobicContact CB-CD1 3.91Å; I128-Y156 HydrophobicContact CB-CE1 4.17Å; I128-Y156 HydrophobicContact CD1-CD1 4.47Å; I128-Y156 HydrophobicContact CD1-CE1 3.86Å; I128-Y156 HydrophobicContact CG1-CE1 4.47Å; I128-Y156 HydrophobicContact CG2-CD1 4.3Å; I128-Y156 HydrophobicContact CG2-CE1 4.47Å; I128-Y156 WeakPolarHBondContact O-CA 3.44Å; I128-A157 PolarHBondContact O-N 3.11Å
129V95.1Very high86.7Confident0 Ų043.9 Ų43.90%023%0.231CC..EExtended strand (participates in β ladder)trans-95.3134.5-176.2-1740000109.7I91 Y92 F93 H94 A157 L160 L163I91-V129 HydrophobicContact CG2-CG2 3.81Å; Y92-V129 PolarHBondContact O-N 3.26Å; F93-V129 HydrophobicContact CD1-CB 3.69Å; F93-V129 HydrophobicContact CD1-CG1 3.88Å; F93-V129 HydrophobicContact CD1-CG2 3.93Å; F93-V129 HydrophobicContact CE1-CB 4.06Å; F93-V129 HydrophobicContact CE1-CG1 4.03Å; F93-V129 HydrophobicContact CE1-CG2 3.88Å; H94-V129 WeakPolarHBondContact CB-O 3.48Å; H94-V129 PolarHBondContact N-O 2.93Å; H94-V129 VanDerWaalsContact N-O 3.08Å; V129-A157 CarbonylContact C-O 3.48Å; V129-A157 WeakPolarHBondContact CA-O 3.49Å; V129-A157 HydrophobicContact CG2-CB 4.48Å; V129-L160 HydrophobicContact CG1-CD2 3.85Å; V129-L163 HydrophobicContact CG2-CD1 3.77Å; V129-L163 HydrophobicContact CG2-CD2 4.36Å
130H89.5Confident85.8Confident8 Ų846 Ų464%0.03725%0.246CC..SBendtrans5656.6-172.4-50.7-40.7000113H94 F95 T132 A157 E158 Y181 D182 I185H94-H130 PolarHBondContact CD2-O 3.18Å; F95-H130 HydrophobicContact CB-CB 4.47Å; H130-T132 PolarHBondContact O-N 2.87Å; H130-A157 PolarHBondContact N-O 2.97Å; H130-E158 PolarHBondContact CE1-O 2.88Å; H130-E158 PolarHBondContact ND1-O 2.9Å; H130-Y181 HydrophobicContact CB-CD1 4.19Å; H130-Y181 HydrophobicContact CB-CE1 3.76Å; H130-Y181 AromaticContact CD2-CD1 3.66Å; H130-Y181 AromaticContact CG-CD1 3.73Å; H130-Y181 AromaticContact CG-CE1 3.69Å; H130-D182 IonicContact CE1-OD1 3.89Å; H130-D182 PolarHBondContact CE1-OD1 3.21Å; H130-D182 IonicContact NE2-OD1 2.78Å; H130-I185 WeakPolarHBondContact ND1-CD1 3.08Å
131P88.5Confident84.9Confident12 Ų1247.6 Ų47.68%0.07826%0.257CS..  trans-69130.4-17732.1-37.7000111.9I128 I135 K136 Y156 A157I128-P131 HydrophobicContact CG2-CB 4.04Å; P131-I135 HydrophobicContact CB-CG2 3.81Å; P131-K136 HydrophobicContact CB-CG 4.22Å; P131-K136 VanDerWaalsContact CG-CE 3.41Å; P131-Y156 HydrophobicContact CB-CD1 3.69Å; P131-Y156 HydrophobicContact CB-CE1 4.3Å; P131-Y156 HydrophobicContact CB-CG 4.49Å; P131-Y156 HydrophobicContact CG-CD1 4.02Å; P131-Y156 HydrophobicContact CG-CG 4.38Å; P131-A157 WeakPolarHBondContact CD-O 3.41Å
132T80.7Confident84Confident67 Ų6741.5 Ų41.541%0.41123%0.231SC..  trans-79.8161.5166.361.40000111.8H94 H130 G134 I135 K136H94-T132 WeakPolarHBondContact NE2-CG2 3.5Å; H94-T132 PolarHBondContact NE2-OG1 2.78Å; H130-T132 PolarHBondContact O-N 2.87Å; T132-G134 PolarHBondContact O-N 3.14Å; T132-I135 WeakPolarHBondContact O-CG2 3.47Å; T132-I135 PolarHBondContact O-N 2.68Å; T132-I135 PolarHBondContact OG1-N 3.46Å; T132-K136 PolarHBondContact O-N 3.04Å; T132-K136 VanDerWaalsContact O-N 3.16Å
133T70.3Confident83.2Confident123 Ų12347.6 Ų47.676%0.75525%0.252SS*.Hα-helixtrans-54.7-34.9168.8-49.20000111.4K136 F137T133-K136 PolarHBondContact O-N 2.98Å; T133-F137 WeakPolarHBondContact O-CB 3.38Å; T133-F137 PolarHBondContact O-N 2.86Å
134G72Confident82.2Confident41 Ų4152.4 Ų52.442%0.42328%0.283SS..Hα-helixtrans-61.9-44.6177.700000113.7T132 L138T132-G134 PolarHBondContact O-N 3.14Å; G134-L138 VanDerWaalsContact O-CB 3.32Å; G134-L138 WeakPolarHBondContact O-CB 3.43Å; G134-L138 PolarHBondContact O-N 3.36Å
135I83Confident81.1Confident19 Ų1954.3 Ų54.310%0.09729%0.292CS..Hα-helixtrans-72.2-37.7177.6-170.860.6000111.7I128 P131 T132 F137 L138 C139I128-I135 HydrophobicContact CD1-CG1 4.13Å; I128-I135 HydrophobicContact CG2-CG1 4.33Å; I128-I135 HydrophobicContact CG2-CG2 4.3Å; P131-I135 HydrophobicContact CB-CG2 3.81Å; T132-I135 WeakPolarHBondContact O-CG2 3.47Å; T132-I135 PolarHBondContact O-N 2.68Å; T132-I135 PolarHBondContact OG1-N 3.46Å; I135-F137 VanDerWaalsContact C-N 3.34Å; I135-F137 PolarHBondContact O-N 3.2Å; I135-L138 HydrophobicContact CD1-CB 4.42Å; I135-L138 HydrophobicContact CD1-CD2 3.91Å; I135-L138 PolarHBondContact O-N 3.17Å; I135-C139 WeakPolarHBondContact O-CB 3.48Å; I135-C139 PolarHBondContact O-N 2.79Å; I135-C139 PolarHBondContact O-SG 3.38Å; I135-C139 VanDerWaalsContact O-SG 3.35Å
136K80.5Confident80.1Confident72 Ų7254.1 Ų54.131%0.31329%0.29SS..Hα-helixtrans-61.2-43.3174.7-67-179.7-176.4176.70111.3P131 T132 T133 T140 Y156 E158P131-K136 HydrophobicContact CB-CG 4.22Å; P131-K136 VanDerWaalsContact CG-CE 3.41Å; T132-K136 PolarHBondContact O-N 3.04Å; T132-K136 VanDerWaalsContact O-N 3.16Å; T133-K136 PolarHBondContact O-N 2.98Å; K136-T140 PolarHBondContact O-N 2.91Å; K136-T140 VanDerWaalsContact O-N 3.09Å; K136-T140 PolarHBondContact O-OG1 3.16Å; K136-Y156 HydrophobicContact CG-CD1 4.37Å; K136-Y156 HydrophobicContact CG-CE1 4.01Å; K136-Y156 HydrophobicContact CG-CE2 4.48Å; K136-E158 IonicContact NZ-OE1 2.77Å; K136-E158 PolarHBondContact NZ-OE1 2.83Å
137F74.6Confident79.4Confident129 Ų12955.4 Ų55.457%0.56630%0.301SS*.Hα-helixtrans-63.5-45.6173.5179.4-106000111.7T133 I135 C139 T140 L141T133-F137 WeakPolarHBondContact O-CB 3.38Å; T133-F137 PolarHBondContact O-N 2.86Å; I135-F137 VanDerWaalsContact C-N 3.34Å; I135-F137 PolarHBondContact O-N 3.2Å; F137-C139 PolarHBondContact O-N 3.28Å; F137-T140 WeakPolarHBondContact O-CA 3.43Å; F137-T140 WeakPolarHBondContact O-CB 3.44Å; F137-T140 PolarHBondContact O-N 3.26Å; F137-T140 VanDerWaalsContact O-N 3.08Å; F137-L141 HydrophobicContact CD1-CD1 3.86Å; F137-L141 HydrophobicContact CD1-CG 4.24Å; F137-L141 HydrophobicContact CE1-CD1 3.36Å; F137-L141 HydrophobicContact CE1-CD2 4.3Å; F137-L141 HydrophobicContact CE1-CG 3.85Å; F137-L141 HydrophobicContact CE2-CD2 4.48Å; F137-L141 HydrophobicContact CE2-CG 4.46Å; F137-L141 HydrophobicContact CZ-CD1 3.9Å; F137-L141 HydrophobicContact CZ-CD2 3.96Å; F137-L141 HydrophobicContact CZ-CG 3.96Å; F137-L141 PolarHBondContact O-N 3.03Å
138L76.1Confident78.7Confident16 Ų1659.5 Ų59.58%0.08433%0.33CS..Hα-helixtrans-59-48.2177.3-174.468.8000111.8F105 L108 G134 I135 T140 L141 F142F105-L138 HydrophobicContact CD2-CD1 3.97Å; F105-L138 HydrophobicContact CE2-CD1 3.88Å; L108-L138 HydrophobicContact CD1-CD2 3.93Å; G134-L138 VanDerWaalsContact O-CB 3.32Å; G134-L138 WeakPolarHBondContact O-CB 3.43Å; G134-L138 PolarHBondContact O-N 3.36Å; I135-L138 HydrophobicContact CD1-CB 4.42Å; I135-L138 HydrophobicContact CD1-CD2 3.91Å; I135-L138 PolarHBondContact O-N 3.17Å; L138-T140 PolarHBondContact O-N 2.84Å; L138-L141 WeakPolarHBondContact O-CB 3.27Å; L138-L141 PolarHBondContact O-N 2.84Å; L138-L141 VanDerWaalsContact O-N 3.1Å; L138-F142 HydrophobicContact CD1-CD2 4.17Å; L138-F142 HydrophobicContact CD1-CE2 3.65Å; L138-F142 HydrophobicContact CD2-CE2 4.31Å; L138-F142 HydrophobicContact CG-CD2 3.99Å; L138-F142 HydrophobicContact CG-CE2 3.74Å; L138-F142 VanDerWaalsContact O-CD2 3.23Å; L138-F142 WeakPolarHBondContact O-CD2 3.32Å; L138-F142 PolarHBondContact O-N 2.83Å
139C77.5Confident78.2Confident30 Ų3067.1 Ų67.120%0.20336%0.363CS..Hα-helixtrans-59-34.3175.4-71.10000112.1I135 F137 F142 R143 Y156I135-C139 WeakPolarHBondContact O-CB 3.48Å; I135-C139 PolarHBondContact O-N 2.79Å; I135-C139 PolarHBondContact O-SG 3.38Å; I135-C139 VanDerWaalsContact O-SG 3.35Å; F137-C139 PolarHBondContact O-N 3.28Å; C139-F142 PolarHBondContact O-N 3.08Å; C139-R143 PolarHBondContact O-N 3.11Å; C139-Y156 WeakPolarHBondContact CB-OH 3.47Å
140T72.6Confident77.7Confident65 Ų6568 Ų6840%0.39937%0.367SS..Hα-helixtrans-68.5-42.1174.5-57.20000111.7K136 F137 L138 F142 R143K136-T140 PolarHBondContact O-N 2.91Å; K136-T140 VanDerWaalsContact O-N 3.09Å; K136-T140 PolarHBondContact O-OG1 3.16Å; F137-T140 WeakPolarHBondContact O-CA 3.43Å; F137-T140 WeakPolarHBondContact O-CB 3.44Å; F137-T140 PolarHBondContact O-N 3.26Å; F137-T140 VanDerWaalsContact O-N 3.08Å; L138-T140 PolarHBondContact O-N 2.84Å; T140-F142 PolarHBondContact O-N 2.78Å; T140-R143 VanDerWaalsContact O-CB 3.26Å; T140-R143 WeakPolarHBondContact O-CB 3.28Å; T140-R143 PolarHBondContact O-N 3.05Å
141L71.2Confident77.3Confident83 Ų8369.3 Ų69.344%0.43538%0.377SS..Hα-helixtrans-61.5-30.5174.3-73.4177.9000113F137 L138 R143 P144F137-L141 HydrophobicContact CD1-CD1 3.86Å; F137-L141 HydrophobicContact CD1-CG 4.24Å; F137-L141 HydrophobicContact CE1-CD1 3.36Å; F137-L141 HydrophobicContact CE1-CD2 4.3Å; F137-L141 HydrophobicContact CE1-CG 3.85Å; F137-L141 HydrophobicContact CE2-CD2 4.48Å; F137-L141 HydrophobicContact CE2-CG 4.46Å; F137-L141 HydrophobicContact CZ-CD1 3.9Å; F137-L141 HydrophobicContact CZ-CD2 3.96Å; F137-L141 HydrophobicContact CZ-CG 3.96Å; F137-L141 PolarHBondContact O-N 3.03Å; L138-L141 WeakPolarHBondContact O-CB 3.27Å; L138-L141 PolarHBondContact O-N 2.84Å; L138-L141 VanDerWaalsContact O-N 3.1Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-P144 VanDerWaalsContact O-CD 3.3Å; L141-P144 WeakPolarHBondContact O-CD 3.05Å
142F72.4Confident77.3Confident16 Ų1675.1 Ų75.17%0.0741%0.408CS..THydrogen-bonded Turntrans-79.2-11175.6-79.5-79.7000113.9F105 L108 L109 L138 C139 T140 P144 F145 I146F105-F142 HydrophobicContact CE2-CE2 4.1Å; F105-F142 AromaticContact CE2-CZ 4Å; F105-F142 HydrophobicContact CE2-CZ 4Å; F105-F142 HydrophobicContact CZ-CZ 4.35Å; L108-F142 HydrophobicContact CB-CZ 4.06Å; L109-F142 HydrophobicContact CB-CE1 4.33Å; L109-F142 HydrophobicContact CD1-CE1 3.83Å; L138-F142 HydrophobicContact CD1-CD2 4.17Å; L138-F142 HydrophobicContact CD1-CE2 3.65Å; L138-F142 HydrophobicContact CD2-CE2 4.31Å; L138-F142 HydrophobicContact CG-CD2 3.99Å; L138-F142 HydrophobicContact CG-CE2 3.74Å; L138-F142 VanDerWaalsContact O-CD2 3.23Å; L138-F142 WeakPolarHBondContact O-CD2 3.32Å; L138-F142 PolarHBondContact O-N 2.83Å; C139-F142 PolarHBondContact O-N 3.08Å; T140-F142 PolarHBondContact O-N 2.78Å; F142-P144 VanDerWaalsContact C-CD 3.42Å; F142-P144 VanDerWaalsContact C-N 3.35Å; F142-F145 HydrophobicContact CD1-CD2 4.48Å; F142-F145 WeakPolarHBondContact O-CA 3.47Å; F142-F145 PolarHBondContact O-N 2.82Å; F142-I146 HydrophobicContact CB-CD1 3.4Å; F142-I146 HydrophobicContact CB-CG1 4.02Å; F142-I146 HydrophobicContact CG-CD1 4.45Å; F142-I146 VanDerWaalsContact O-CG1 3.25Å; F142-I146 WeakPolarHBondContact O-CG1 3.21Å; F142-I146 PolarHBondContact O-N 3.24Å
143R74.7Confident77.9Confident154 Ų15473.7 Ų73.758%0.58140%0.396SS*.G310 helixtrans-49.2-43.5-179.2-82.9-178172164.2-0.9114.5C139 T140 L141 F145 I146C139-R143 PolarHBondContact O-N 3.11Å; T140-R143 VanDerWaalsContact O-CB 3.26Å; T140-R143 WeakPolarHBondContact O-CB 3.28Å; T140-R143 PolarHBondContact O-N 3.05Å; L141-R143 VanDerWaalsContact C-N 3.33Å; R143-F145 PolarHBondContact O-N 3.29Å; R143-I146 PolarHBondContact O-N 3.2Å; R143-I146 VanDerWaalsContact O-N 3.15Å
144P73Confident78.8Confident111 Ų11169.4 Ų69.472%0.72137%0.369SS*.G310 helixtrans-64.1-25.6178.8-22.334.7000113.8L141 F142L141-P144 VanDerWaalsContact O-CD 3.3Å; L141-P144 WeakPolarHBondContact O-CD 3.05Å; F142-P144 VanDerWaalsContact C-CD 3.42Å; F142-P144 VanDerWaalsContact C-N 3.35Å
145F71.8Confident79.8Confident113 Ų11370.8 Ų70.850%0.49637%0.37SS..G310 helixtrans-92.1-15.6179-54.2-75.3000112.2Y112 F142 R143Y112-F145 HydrophobicContact CD1-CB 4.5Å; Y112-F145 HydrophobicContact CE1-CB 3.99Å; Y112-F145 VanDerWaalsContact CE1-O 3.32Å; Y112-F145 WeakPolarHBondContact CE1-O 3.3Å; Y112-F145 PolarHBondContact OH-O 3.29Å; F142-F145 HydrophobicContact CD1-CD2 4.48Å; F142-F145 WeakPolarHBondContact O-CA 3.47Å; F142-F145 PolarHBondContact O-N 2.82Å; R143-F145 PolarHBondContact O-N 3.29Å
146I73.4Confident80.3Confident32 Ų3273.6 Ų73.616%0.16438%0.379CS..SBendtrans-101.3127.7-175.5-61.7171.4000111.4Y112 F142 R143 M150Y112-I146 HydrophobicContact CD2-CG1 4.34Å; Y112-I146 HydrophobicContact CE1-CG1 4.41Å; Y112-I146 HydrophobicContact CE2-CD1 4.2Å; Y112-I146 HydrophobicContact CE2-CG1 3.49Å; Y112-I146 VanDerWaalsContact CE2-CG1 3.49Å; Y112-I146 VanDerWaalsContact OH-CA 3.23Å; Y112-I146 WeakPolarHBondContact OH-CA 3.3Å; Y112-I146 WeakPolarHBondContact OH-CG1 3.45Å; F142-I146 HydrophobicContact CB-CD1 3.4Å; F142-I146 HydrophobicContact CB-CG1 4.02Å; F142-I146 HydrophobicContact CG-CD1 4.45Å; F142-I146 VanDerWaalsContact O-CG1 3.25Å; F142-I146 WeakPolarHBondContact O-CG1 3.21Å; F142-I146 PolarHBondContact O-N 3.24Å; R143-I146 PolarHBondContact O-N 3.2Å; R143-I146 VanDerWaalsContact O-N 3.15Å; I146-M150 HydrophobicContact CG2-CB 3.64Å; I146-M150 HydrophobicContact CG2-CG 3.71Å
147S79.9Confident80.9Confident62 Ų6270.2 Ų70.243%0.43437%0.365SS..  trans-62145.1172.367.70000111.1K149 M150 S151S147-K149 PolarHBondContact O-N 3.2Å; S147-K149 VanDerWaalsContact O-N 3.14Å; S147-M150 WeakPolarHBondContact O-CA 3.26Å; S147-M150 PolarHBondContact O-N 3.3Å; S147-M150 PolarHBondContact OG-N 3.46Å; S147-S151 PolarHBondContact O-N 3.06Å
148S79.6Confident81.6Confident91 Ų9167.9 Ų67.964%0.63636%0.356SS*.Hα-helixtrans-50.9-41.5177.855.60000112.6M150 S151 N152S148-M150 VanDerWaalsContact C-N 3.27Å; S148-M150 PolarHBondContact O-N 3.47Å; S148-S151 PolarHBondContact O-N 3.13Å; S148-N152 VanDerWaalsContact O-CG 3.27Å; S148-N152 PolarHBondContact O-N 3.01Å; S148-N152 PolarHBondContact O-OD1 3.39Å
149K84.8Confident82.4Confident165 Ų16567.5 Ų67.572%0.71735%0.354SS*.Hα-helixtrans-58.5-34.3175.5-65.3-175.2-177.5179.80113.7S147 K153S147-K149 PolarHBondContact O-N 3.2Å; S147-K149 VanDerWaalsContact O-N 3.14Å; K149-K153 WeakPolarHBondContact O-CE 3.39Å; K149-K153 WeakPolarHBondContact O-CG 3.32Å
150M86Confident83.1Confident18 Ų1866.4 Ų66.49%0.08935%0.347CS..Hα-helixtrans-83.2-38.1178.5179.563-151.900111.2R120 L123 I146 S147 S148 N152 K153R120-M150 HydrophobicContact CB-SD 4.06Å; R120-M150 HydrophobicContact CG-CG 4.46Å; R120-M150 HydrophobicContact CG-SD 3.94Å; L123-M150 HydrophobicContact CD2-CE 3.51Å; L123-M150 HydrophobicContact CD2-SD 4.08Å; I146-M150 HydrophobicContact CG2-CB 3.64Å; I146-M150 HydrophobicContact CG2-CG 3.71Å; S147-M150 WeakPolarHBondContact O-CA 3.26Å; S147-M150 PolarHBondContact O-N 3.3Å; S147-M150 PolarHBondContact OG-N 3.46Å; S148-M150 VanDerWaalsContact C-N 3.27Å; S148-M150 PolarHBondContact O-N 3.47Å; M150-N152 PolarHBondContact O-N 3.23Å; M150-K153 WeakPolarHBondContact O-CB 3.46Å; M150-K153 PolarHBondContact O-N 3.41Å; M150-K153 HydrophobicContact SD-CD 3.93Å
151S81.6Confident84Confident36 Ų3666.2 Ų66.225%0.25235%0.348SS..Hα-helixtrans-60.1-36.2175.3-172.20000112S147 S148 K153 V154S147-S151 PolarHBondContact O-N 3.06Å; S148-S151 PolarHBondContact O-N 3.13Å; S151-K153 PolarHBondContact O-N 2.91Å; S151-V154 PolarHBondContact O-N 3.46Å
152N88.4Confident84.9Confident134 Ų13467.2 Ų67.272%0.71735%0.35SS*.THydrogen-bonded Turntrans-69.2-8.9177.8-68.7-6.6000113.9S148 M150S148-N152 VanDerWaalsContact O-CG 3.27Å; S148-N152 PolarHBondContact O-N 3.01Å; S148-N152 PolarHBondContact O-OD1 3.39Å; M150-N152 PolarHBondContact O-N 3.23Å
153K91.8Very high85.7Confident37 Ų3766.8 Ų66.816%0.16135%0.349CS..THydrogen-bonded Turntrans-89.8-13.4177.2-60.2174.4177.2-163.70112.2R120 K121 L123 K124 T125 L126 K149 M150 S151 V155R120-K153 PolarHBondContact O-NZ 3.35Å; K121-K153 PolarHBondContact O-NZ 2.84Å; L123-K153 WeakPolarHBondContact O-CD 3.49Å; L123-K153 WeakPolarHBondContact O-CE 3.23Å; L123-K153 PolarHBondContact O-NZ 3.13Å; K124-K153 WeakPolarHBondContact O-CG 3.4Å; T125-K153 CarbonylContact C-O 3.53Å; T125-K153 WeakPolarHBondContact CA-O 3.48Å; L126-K153 PolarHBondContact N-O 3.09Å; K149-K153 WeakPolarHBondContact O-CE 3.39Å; K149-K153 WeakPolarHBondContact O-CG 3.32Å; M150-K153 WeakPolarHBondContact O-CB 3.46Å; M150-K153 PolarHBondContact O-N 3.41Å; M150-K153 HydrophobicContact SD-CD 3.93Å; S151-K153 PolarHBondContact O-N 2.91Å; K153-V155 PolarHBondContact O-N 3.12Å
154V90.9Very high86.3Confident33 Ų3364.9 Ų64.920%0.235%0.346CS..EExtended strand (participates in β ladder)trans-81.3116.7180-174.10000108.9L126 I128 S151 Y156L126-V154 HydrophobicContact CD2-CG2 4.28Å; L126-V154 WeakPolarHBondContact O-CA 3.39Å; I128-V154 HydrophobicContact CD1-CG1 3.9Å; I128-V154 HydrophobicContact CG1-CG1 4.4Å; S151-V154 PolarHBondContact O-N 3.46Å; V154-Y156 HydrophobicContact CG1-CE1 4.19Å; V154-Y156 HydrophobicContact CG1-CE2 4.45Å
155V92.5Very high86.8Confident71 Ų7162.7 Ų62.743%0.4334%0.344SS..EExtended strand (participates in β ladder)trans-116.6140176.4177.90000108T125 L126 C127 I128 K153T125-V155 HydrophobicContact CG2-CB 4.07Å; T125-V155 HydrophobicContact CG2-CG2 3.79Å; L126-V155 PolarHBondContact O-N 3.23Å; C127-V155 CarbonylContact C-O 3.57Å; C127-V155 WeakPolarHBondContact CA-O 3.49Å; I128-V155 PolarHBondContact N-O 2.89Å; K153-V155 PolarHBondContact O-N 3.12Å
156Y92.6Very high87.3Confident77 Ų7761 Ų6130%0.30234%0.343SS..EExtended strand (participates in β ladder)trans-106.3132.1176.7-65.8-63.7000108.4I128 P131 K136 C139 V154I128-Y156 HydrophobicContact CB-CD1 3.91Å; I128-Y156 HydrophobicContact CB-CE1 4.17Å; I128-Y156 HydrophobicContact CD1-CD1 4.47Å; I128-Y156 HydrophobicContact CD1-CE1 3.86Å; I128-Y156 HydrophobicContact CG1-CE1 4.47Å; I128-Y156 HydrophobicContact CG2-CD1 4.3Å; I128-Y156 HydrophobicContact CG2-CE1 4.47Å; I128-Y156 WeakPolarHBondContact O-CA 3.44Å; P131-Y156 HydrophobicContact CB-CD1 3.69Å; P131-Y156 HydrophobicContact CB-CE1 4.3Å; P131-Y156 HydrophobicContact CB-CG 4.49Å; P131-Y156 HydrophobicContact CG-CD1 4.02Å; P131-Y156 HydrophobicContact CG-CG 4.38Å; K136-Y156 HydrophobicContact CG-CD1 4.37Å; K136-Y156 HydrophobicContact CG-CE1 4.01Å; K136-Y156 HydrophobicContact CG-CE2 4.48Å; C139-Y156 WeakPolarHBondContact CB-OH 3.47Å; V154-Y156 HydrophobicContact CG1-CE1 4.19Å; V154-Y156 HydrophobicContact CG1-CE2 4.45Å
157A93.1Very high87.9Confident2 Ų259.8 Ų59.82%0.01734%0.337CS..EExtended strand (participates in β ladder)trans-120.9119.3173.400000109I128 V129 H130 P131 E162 L163I128-A157 PolarHBondContact O-N 3.11Å; V129-A157 CarbonylContact C-O 3.48Å; V129-A157 WeakPolarHBondContact CA-O 3.49Å; V129-A157 HydrophobicContact CG2-CB 4.48Å; H130-A157 PolarHBondContact N-O 2.97Å; P131-A157 WeakPolarHBondContact CD-O 3.41Å; A157-E162 VanDerWaalsContact CA-OE2 3.31Å; A157-E162 WeakPolarHBondContact CA-OE2 3.37Å; A157-E162 HydrophobicContact CB-CB 4.25Å; A157-L163 HydrophobicContact CB-CD2 3.61Å; A157-L163 HydrophobicContact CB-CG 4.28Å
158E89.6Confident88.1Confident79 Ų7960.6 Ų60.637%0.36933%0.333SS..SBendtrans-75.8-35.8-179.3-61.7-62.2163.800111H130 K136 E162 I185H130-E158 PolarHBondContact CE1-O 2.88Å; H130-E158 PolarHBondContact ND1-O 2.9Å; K136-E158 IonicContact NZ-OE1 2.77Å; K136-E158 PolarHBondContact NZ-OE1 2.83Å; E158-E162 PolarHBondContact N-OE2 3.15Å; E158-I185 WeakPolarHBondContact O-CD1 3.45Å
159T92.6Very high88.4Confident8 Ų857.2 Ų57.25%0.04931%0.308CS..SBendtrans-123.9163.4176.963.50000111.8S161 E162 D182 I185 V186 L189T159-S161 VanDerWaalsContact C-N 3.28Å; T159-S161 PolarHBondContact O-N 2.82Å; T159-S161 PolarHBondContact OG1-OG 3.36Å; T159-E162 PolarHBondContact O-N 3.46Å; T159-D182 VanDerWaalsContact CA-OD1 3.23Å; T159-D182 WeakPolarHBondContact CA-OD1 3.32Å; T159-D182 WeakPolarHBondContact CB-OD1 3.24Å; T159-I185 HydrophobicContact CG2-CD1 4.07Å; T159-V186 HydrophobicContact CG2-CG2 3.86Å; T159-L189 HydrophobicContact CG2-CD1 4.09Å
160L92.5Very high88.2Confident8 Ų853.6 Ų53.64%0.04230%0.296CS..SBendtrans-67.1-29.2173.5-68.5174.9000112.6F93 V129 E162 L163 V169 I174 L179 D182F93-L160 HydrophobicContact CE1-CD2 3.71Å; V129-L160 HydrophobicContact CG1-CD2 3.85Å; L160-E162 VanDerWaalsContact C-N 3.26Å; L160-E162 PolarHBondContact O-N 2.88Å; L160-L163 HydrophobicContact CD2-CD1 4.06Å; L160-L163 VanDerWaalsContact O-CB 3.23Å; L160-L163 WeakPolarHBondContact O-CB 3.47Å; L160-L163 PolarHBondContact O-N 3.47Å; L160-V169 HydrophobicContact CB-CG1 4.44Å; L160-I174 HydrophobicContact CD1-CD1 4.15Å; L160-I174 HydrophobicContact CD1-CG2 4.4Å; L160-I174 HydrophobicContact CD2-CD1 4.07Å; L160-L179 HydrophobicContact CD1-CD2 3.67Å; L160-D182 HydrophobicContact CD1-CB 3.75Å; L160-D182 HydrophobicContact CG-CB 3.99Å; L160-D182 PolarHBondContact N-OD1 3.07Å
161S90.7Very high87.8Confident61 Ų6156.2 Ų56.243%0.42731%0.309SS..G310 helixtrans-63.3-29.4178.8560000113.4T159 L163 E164T159-S161 VanDerWaalsContact C-N 3.28Å; T159-S161 PolarHBondContact O-N 2.82Å; T159-S161 PolarHBondContact OG1-OG 3.36Å; S161-L163 PolarHBondContact O-N 3.25Å; S161-E164 WeakPolarHBondContact O-CB 3.35Å; S161-E164 PolarHBondContact O-N 3.37Å
162E90.2Very high88Confident104 Ų10455 Ų5549%0.48630%0.299SS..G310 helixtrans-63.2-21.7174.5-70.7177-155.400112.6A157 E158 T159 L160A157-E162 VanDerWaalsContact CA-OE2 3.31Å; A157-E162 WeakPolarHBondContact CA-OE2 3.37Å; A157-E162 HydrophobicContact CB-CB 4.25Å; E158-E162 PolarHBondContact N-OE2 3.15Å; T159-E162 PolarHBondContact O-N 3.46Å; L160-E162 VanDerWaalsContact C-N 3.26Å; L160-E162 PolarHBondContact O-N 2.88Å
163L89.3Confident87.8Confident6 Ų649 Ų493%0.03127%0.268CS..G310 helixtrans-80.1-26.2179-56.3-176.9000112.8C127 V129 A157 L160 S161 G165 T166 L167 V169C127-L163 WeakPolarHBondContact SG-CD2 3.11Å; V129-L163 HydrophobicContact CG2-CD1 3.77Å; V129-L163 HydrophobicContact CG2-CD2 4.36Å; A157-L163 HydrophobicContact CB-CD2 3.61Å; A157-L163 HydrophobicContact CB-CG 4.28Å; L160-L163 HydrophobicContact CD2-CD1 4.06Å; L160-L163 VanDerWaalsContact O-CB 3.23Å; L160-L163 WeakPolarHBondContact O-CB 3.47Å; L160-L163 PolarHBondContact O-N 3.47Å; S161-L163 PolarHBondContact O-N 3.25Å; L163-G165 PolarHBondContact O-N 3.21Å; L163-G165 VanDerWaalsContact O-N 3.08Å; L163-T166 PolarHBondContact O-N 3.19Å; L163-T166 PolarHBondContact O-OG1 3.43Å; L163-L167 HydrophobicContact CB-CD1 3.99Å; L163-L167 HydrophobicContact CD1-CD1 4.4Å; L163-L167 HydrophobicContact CD2-CD1 4.23Å; L163-L167 HydrophobicContact CG-CD1 4.43Å; L163-L167 WeakPolarHBondContact O-CB 3.31Å; L163-L167 PolarHBondContact O-N 3.16Å; L163-V169 HydrophobicContact CB-CG2 3.65Å
164E87.4Confident87.6Confident114 Ų11448.4 Ų48.453%0.53327%0.266SS..THydrogen-bonded Turntrans-58.6-27.2-174.5-66.3176.4-17400113K48 S161 T166 V169K48-E164 WeakPolarHBondContact CE-O 3.38Å; K48-E164 PolarHBondContact NZ-O 3.21Å; S161-E164 WeakPolarHBondContact O-CB 3.35Å; S161-E164 PolarHBondContact O-N 3.37Å; E164-T166 PolarHBondContact O-N 3.02Å; E164-V169 HydrophobicContact CB-CG2 4.37Å; E164-V169 HydrophobicContact CG-CB 4.31Å; E164-V169 HydrophobicContact CG-CG2 3.72Å
165G83.6Confident87.4Confident65 Ų6547.2 Ų47.267%0.6726%0.259SS*.THydrogen-bonded Turntrans-62.7-29.6175.600000113.4L163L163-G165 PolarHBondContact O-N 3.21Å; L163-G165 VanDerWaalsContact O-N 3.08Å
166T81.9Confident87Confident78 Ų7847.3 Ų47.348%0.47926%0.255SS..THydrogen-bonded Turntrans-120.9-20.6-171.957.20000114.1K48 L163 E164K48-T166 WeakPolarHBondContact CB-O 3.42Å; K48-T166 WeakPolarHBondContact CG-O 3.43Å; K48-T166 PolarHBondContact N-O 3.3Å; L163-T166 PolarHBondContact O-N 3.19Å; L163-T166 PolarHBondContact O-OG1 3.43Å; E164-T166 PolarHBondContact O-N 3.02Å
167L86.7Confident86.5Confident6 Ų651.5 Ų51.53%0.03127%0.27CS..SBendtrans-126.4153.7-171.6-59.4169.7000110.4D47 K48 I53 I91 L163 V169 L172D47-L167 HydrophobicContact CB-CD2 3.59Å; K48-L167 WeakPolarHBondContact CE-O 3.38Å; I53-L167 HydrophobicContact CD1-CD2 3.65Å; I53-L167 HydrophobicContact CG1-CD2 4.21Å; I91-L167 HydrophobicContact CD1-CD1 3.5Å; I91-L167 VanDerWaalsContact CD1-CD1 3.5Å; I91-L167 HydrophobicContact CD1-CD2 4.44Å; I91-L167 HydrophobicContact CG1-CD1 4.26Å; L163-L167 HydrophobicContact CB-CD1 3.99Å; L163-L167 HydrophobicContact CD1-CD1 4.4Å; L163-L167 HydrophobicContact CD2-CD1 4.23Å; L163-L167 HydrophobicContact CG-CD1 4.43Å; L163-L167 WeakPolarHBondContact O-CB 3.31Å; L163-L167 PolarHBondContact O-N 3.16Å; L167-V169 HydrophobicContact CB-CG2 4.46Å; L167-V169 PolarHBondContact O-N 3.36Å; L167-L172 HydrophobicContact CD1-CD1 4.44Å
168F84.4Confident86.2Confident80 Ų8051.4 Ų51.435%0.35127%0.269SS..  trans-85.485164.2-59.3-69.8000107.6K48 D170 Q171K48-F168 HydrophobicContact CB-CE2 4.4Å; K48-F168 HydrophobicContact CB-CZ 4.41Å; K48-F168 HydrophobicContact CD-CE1 4.48Å; K48-F168 HydrophobicContact CG-CD1 4.34Å; K48-F168 HydrophobicContact CG-CD2 4.2Å; K48-F168 HydrophobicContact CG-CE1 3.94Å; K48-F168 HydrophobicContact CG-CE2 3.77Å; K48-F168 HydrophobicContact CG-CG 4.47Å; K48-F168 HydrophobicContact CG-CZ 3.64Å; F168-D170 PolarHBondContact O-N 3.13Å; F168-Q171 HydrophobicContact CB-CB 4.06Å; F168-Q171 HydrophobicContact CB-CG 3.9Å; F168-Q171 WeakPolarHBondContact O-CB 3.5Å; F168-Q171 PolarHBondContact O-N 3.2Å
169V84.8Confident86.1Confident20 Ų2050.1 Ų50.112%0.12126%0.264CS..G310 helixtrans-59.5-34-171.7178.90000111.7L160 L163 E164 L167 Q171 L172 I174L160-V169 HydrophobicContact CB-CG1 4.44Å; L163-V169 HydrophobicContact CB-CG2 3.65Å; E164-V169 HydrophobicContact CB-CG2 4.37Å; E164-V169 HydrophobicContact CG-CB 4.31Å; E164-V169 HydrophobicContact CG-CG2 3.72Å; L167-V169 HydrophobicContact CB-CG2 4.46Å; L167-V169 PolarHBondContact O-N 3.36Å; V169-Q171 PolarHBondContact O-N 3.45Å; V169-L172 WeakPolarHBondContact O-CB 3.48Å; V169-L172 PolarHBondContact O-N 3.44Å; V169-I174 HydrophobicContact CG1-CD1 3.76Å
170D80.7Confident85.8Confident88 Ų8852.6 Ų52.647%0.47128%0.278SS..G310 helixtrans-61.6-22.5173.761-40.3000113.8F168 K283F168-D170 PolarHBondContact O-N 3.13Å; D170-K283 WeakPolarHBondContact O-CG 3.1Å; D170-K283 WeakPolarHBondContact OD2-CE 3.45Å; D170-K283 IonicContact OD2-NZ 2.82Å; D170-K283 PolarHBondContact OD2-NZ 3.16Å
171Q78.3Confident85.4Confident73 Ų7356 Ų5634%0.34129%0.29SS..G310 helixtrans-91.7-8.5178.5-65.7177.929.200113.9F168 V169 K283F168-Q171 HydrophobicContact CB-CB 4.06Å; F168-Q171 HydrophobicContact CB-CG 3.9Å; F168-Q171 WeakPolarHBondContact O-CB 3.5Å; F168-Q171 PolarHBondContact O-N 3.2Å; V169-Q171 PolarHBondContact O-N 3.45Å; Q171-K283 HydrophobicContact CG-CB 4.34Å; Q171-K283 HydrophobicContact CG-CD 3.74Å; Q171-K283 HydrophobicContact CG-CG 3.99Å
172L85.1Confident85.4Confident11 Ų1154.1 Ų54.16%0.05828%0.276CS..SBendtrans-80.2141.2-177.8-60.4179.8000110.8A44 I53 V55 I91 L167 V169 I174A44-L172 HydrophobicContact CB-CD2 3.76Å; I53-L172 HydrophobicContact CD1-CD2 3.94Å; I53-L172 HydrophobicContact CG2-CD2 3.87Å; V55-L172 HydrophobicContact CG2-CD2 4.42Å; I91-L172 HydrophobicContact CD1-CD1 3.6Å; I91-L172 HydrophobicContact CD1-CD2 3.91Å; I91-L172 HydrophobicContact CD1-CG 4.43Å; L167-L172 HydrophobicContact CD1-CD1 4.44Å; V169-L172 WeakPolarHBondContact O-CB 3.48Å; V169-L172 PolarHBondContact O-N 3.44Å; L172-I174 HydrophobicContact CB-CD1 4.12Å; L172-I174 HydrophobicContact CB-CG1 3.66Å; L172-I174 PolarHBondContact O-N 3.16Å
173P85.5Confident85.3Confident8 Ų854.3 Ų54.35%0.05228%0.275CS..  trans-77.763.5174.734.3-37.7000111.4Q42 A44 V55 P175Q42-P173 HydrophobicContact CB-CG 4.08Å; Q42-P173 VanDerWaalsContact OE1-CB 3.28Å; A44-P173 HydrophobicContact CB-CG 4.08Å; V55-P173 HydrophobicContact CB-CG 4.38Å; V55-P173 HydrophobicContact CG2-CG 4.3Å; P173-P175 WeakPolarHBondContact O-CD 3.41Å
174I88.1Confident85.1Confident24 Ų2456.4 Ų56.412%0.12329%0.29CS..  trans-73.2124.7-176.3-49.1-177.4000109.6F93 L160 V169 L172 V178 L179F93-I174 HydrophobicContact CE1-CG2 4.34Å; F93-I174 HydrophobicContact CE2-CB 4.49Å; F93-I174 HydrophobicContact CE2-CG1 4.18Å; F93-I174 HydrophobicContact CE2-CG2 4.36Å; F93-I174 HydrophobicContact CZ-CB 4.36Å; F93-I174 HydrophobicContact CZ-CD1 4.21Å; F93-I174 HydrophobicContact CZ-CG1 3.75Å; F93-I174 HydrophobicContact CZ-CG2 4.11Å; L160-I174 HydrophobicContact CD1-CD1 4.15Å; L160-I174 HydrophobicContact CD1-CG2 4.4Å; L160-I174 HydrophobicContact CD2-CD1 4.07Å; V169-I174 HydrophobicContact CG1-CD1 3.76Å; L172-I174 HydrophobicContact CB-CD1 4.12Å; L172-I174 HydrophobicContact CB-CG1 3.66Å; L172-I174 PolarHBondContact O-N 3.16Å; I174-V178 HydrophobicContact CG2-CB 3.83Å; I174-V178 HydrophobicContact CG2-CG1 3.83Å; I174-L179 HydrophobicContact CB-CD2 4.29Å; I174-L179 HydrophobicContact CB-CG 4.23Å; I174-L179 HydrophobicContact CD1-CD2 4.29Å; I174-L179 HydrophobicContact CG2-CD2 3.98Å; I174-L179 HydrophobicContact CG2-CG 3.83Å
175P84.9Confident85Confident9 Ų952.5 Ų52.56%0.05827%0.272CS..  trans-61.8140174.4-20.531.2000111.8S57 C59 P173 R177 V178 L179S57-P175 VanDerWaalsContact OG-CG 3.32Å; S57-P175 WeakPolarHBondContact OG-CG 3.45Å; C59-P175 VanDerWaalsContact SG-CB 3.53Å; P173-P175 WeakPolarHBondContact O-CD 3.41Å; P175-R177 PolarHBondContact O-N 2.87Å; P175-R177 VanDerWaalsContact O-N 3.09Å; P175-V178 HydrophobicContact CB-CG2 4.15Å; P175-V178 HydrophobicContact CG-CG2 4.15Å; P175-V178 WeakPolarHBondContact O-CA 3.41Å; P175-V178 WeakPolarHBondContact O-CB 3.27Å; P175-V178 PolarHBondContact O-N 2.76Å; P175-L179 PolarHBondContact O-N 3.08Å
176Q84.8Confident85Confident72 Ų7252.4 Ų52.434%0.33626%0.259SS..Hα-helixtrans-54.8-35.1-179.8-168.160.839.400113.1V178 L179 N180Q176-V178 VanDerWaalsContact C-N 3.26Å; Q176-V178 PolarHBondContact O-N 2.95Å; Q176-L179 PolarHBondContact O-N 2.84Å; Q176-N180 PolarHBondContact NE2-OD1 2.77Å; Q176-N180 WeakPolarHBondContact O-CB 3.49Å; Q176-N180 VanDerWaalsContact O-CG 3.23Å; Q176-N180 PolarHBondContact O-N 3.25Å; Q176-N180 PolarHBondContact O-OD1 3.35Å
177R81.9Confident84.8Confident166 Ų16654.6 Ų54.663%0.62627%0.268SS*.Hα-helixtrans-57.9-37.9174.9-66.1-175.5-175.11500.9112.5C59 F95 P175 Y181C59-R177 PolarHBondContact O-NH1 3.42Å; C59-R177 VanDerWaalsContact O-NH1 3.12Å; F95-R177 HydrophobicContact CD1-CB 4.48Å; F95-R177 HydrophobicContact CE1-CB 4.09Å; F95-R177 VanDerWaalsContact CE1-O 3.27Å; F95-R177 WeakPolarHBondContact CE1-O 3.44Å; P175-R177 PolarHBondContact O-N 2.87Å; P175-R177 VanDerWaalsContact O-N 3.09Å; R177-Y181 WeakPolarHBondContact O-CB 3.4Å; R177-Y181 PolarHBondContact O-N 2.75Å
178V86.2Confident84.1Confident0 Ų061.2 Ų61.20%030%0.302CS..Hα-helixtrans-71.6-45.3177.2178.60000110.1F93 F95 I174 P175 Q176 N180 Y181 D182F93-V178 HydrophobicContact CB-CG1 4.5Å; F93-V178 HydrophobicContact CB-CG2 4.04Å; F93-V178 HydrophobicContact CD1-CG1 3.76Å; F93-V178 HydrophobicContact CE1-CG1 4.3Å; F93-V178 HydrophobicContact CG-CG1 4.24Å; F93-V178 HydrophobicContact CG-CG2 4.35Å; F95-V178 HydrophobicContact CB-CG2 4.41Å; F95-V178 HydrophobicContact CD1-CG2 4.31Å; I174-V178 HydrophobicContact CG2-CB 3.83Å; I174-V178 HydrophobicContact CG2-CG1 3.83Å; P175-V178 HydrophobicContact CB-CG2 4.15Å; P175-V178 HydrophobicContact CG-CG2 4.15Å; P175-V178 WeakPolarHBondContact O-CA 3.41Å; P175-V178 WeakPolarHBondContact O-CB 3.27Å; P175-V178 PolarHBondContact O-N 2.76Å; Q176-V178 VanDerWaalsContact C-N 3.26Å; Q176-V178 PolarHBondContact O-N 2.95Å; V178-N180 VanDerWaalsContact C-N 3.33Å; V178-N180 PolarHBondContact O-N 2.64Å; V178-Y181 PolarHBondContact O-N 3.41Å; V178-D182 PolarHBondContact O-N 3.26Å
179L88.4Confident83.2Confident51 Ų5162.1 Ų62.127%0.26731%0.31SS..Hα-helixtrans-58.1-44.2175.5-68.4169.7000112L160 I174 P175 Q176 D182 K183L160-L179 HydrophobicContact CD1-CD2 3.67Å; I174-L179 HydrophobicContact CB-CD2 4.29Å; I174-L179 HydrophobicContact CB-CG 4.23Å; I174-L179 HydrophobicContact CD1-CD2 4.29Å; I174-L179 HydrophobicContact CG2-CD2 3.98Å; I174-L179 HydrophobicContact CG2-CG 3.83Å; P175-L179 PolarHBondContact O-N 3.08Å; Q176-L179 PolarHBondContact O-N 2.84Å; L179-D182 PolarHBondContact O-N 3.29Å; L179-K183 WeakPolarHBondContact O-CG 3.39Å; L179-K183 PolarHBondContact O-N 3.1Å
180N85.8Confident81.7Confident61 Ų6166.6 Ų66.633%0.32634%0.34SS..Hα-helixtrans-66.1-39.6178.3-68.6-3.7000111.6Q176 V178 K183 S184Q176-N180 PolarHBondContact NE2-OD1 2.77Å; Q176-N180 WeakPolarHBondContact O-CB 3.49Å; Q176-N180 VanDerWaalsContact O-CG 3.23Å; Q176-N180 PolarHBondContact O-N 3.25Å; Q176-N180 PolarHBondContact O-OD1 3.35Å; V178-N180 VanDerWaalsContact C-N 3.33Å; V178-N180 PolarHBondContact O-N 2.64Å; N180-K183 PolarHBondContact O-N 2.91Å; N180-S184 PolarHBondContact O-N 3.44Å; N180-S184 VanDerWaalsContact O-N 3.07Å
181Y84.4Confident80.2Confident79 Ų7973.3 Ų73.331%0.3136%0.359SS..Hα-helixtrans-64.4-45174.6-179.9-100.5000111.7F95 H130 R177 V178 K183 S184 I185F95-Y181 HydrophobicContact CB-CD1 4.31Å; F95-Y181 HydrophobicContact CD1-CG 4.23Å; F95-Y181 AromaticContact CD2-CD1 3.66Å; F95-Y181 HydrophobicContact CD2-CD1 3.66Å; F95-Y181 AromaticContact CD2-CD2 3.44Å; F95-Y181 HydrophobicContact CD2-CD2 3.44Å; F95-Y181 VanDerWaalsContact CD2-CD2 3.44Å; F95-Y181 AromaticContact CD2-CE1 3.99Å; F95-Y181 HydrophobicContact CD2-CE1 3.99Å; F95-Y181 AromaticContact CD2-CE2 3.76Å; F95-Y181 HydrophobicContact CD2-CE2 3.76Å; F95-Y181 AromaticContact CD2-CG 3.35Å; F95-Y181 HydrophobicContact CD2-CG 3.35Å; F95-Y181 HydrophobicContact CE1-CG 4.26Å; F95-Y181 HydrophobicContact CE2-CD1 4.18Å; F95-Y181 AromaticContact CE2-CD2 3.08Å; F95-Y181 HydrophobicContact CE2-CD2 3.08Å; F95-Y181 AromaticContact CE2-CE2 3.58Å; F95-Y181 HydrophobicContact CE2-CE2 3.58Å; F95-Y181 AromaticContact CE2-CG 3.41Å; F95-Y181 HydrophobicContact CE2-CG 3.41Å; F95-Y181 VanDerWaalsContact CE2-CG 3.41Å; F95-Y181 AromaticContact CG-CD1 3.97Å; F95-Y181 HydrophobicContact CG-CD1 3.97Å; F95-Y181 HydrophobicContact CG-CD2 4.32Å; F95-Y181 AromaticContact CG-CG 3.8Å; F95-Y181 HydrophobicContact CG-CG 3.8Å; F95-Y181 AromaticContact CZ-CD2 3.71Å; F95-Y181 HydrophobicContact CZ-CD2 3.71Å; F95-Y181 AromaticContact CZ-CG 3.88Å; F95-Y181 HydrophobicContact CZ-CG 3.88Å; H130-Y181 HydrophobicContact CB-CD1 4.19Å; H130-Y181 HydrophobicContact CB-CE1 3.76Å; H130-Y181 AromaticContact CD2-CD1 3.66Å; H130-Y181 AromaticContact CG-CD1 3.73Å; H130-Y181 AromaticContact CG-CE1 3.69Å; R177-Y181 WeakPolarHBondContact O-CB 3.4Å; R177-Y181 PolarHBondContact O-N 2.75Å; V178-Y181 PolarHBondContact O-N 3.41Å; Y181-K183 VanDerWaalsContact C-N 3.34Å; Y181-K183 PolarHBondContact O-N 3.45Å; Y181-S184 WeakPolarHBondContact O-CA 3.36Å; Y181-S184 WeakPolarHBondContact O-CB 3.43Å; Y181-S184 PolarHBondContact O-N 3.48Å; Y181-S184 PolarHBondContact O-OG 3.12Å; Y181-I185 HydrophobicContact CD1-CD1 4.46Å; Y181-I185 HydrophobicContact CD1-CG2 4.24Å; Y181-I185 HydrophobicContact CE1-CD1 4.17Å; Y181-I185 HydrophobicContact CE1-CG2 3.67Å; Y181-I185 HydrophobicContact CE2-CG2 4.01Å; Y181-I185 PolarHBondContact O-N 3.24Å
182D90.1Very high78.4Confident22 Ų2275.4 Ų75.412%0.11838%0.381CS..Hα-helixtrans-56.8-46.5176-17372.6000111.5H130 T159 L160 V178 L179 S184 I185 V186H130-D182 IonicContact CE1-OD1 3.89Å; H130-D182 PolarHBondContact CE1-OD1 3.21Å; H130-D182 IonicContact NE2-OD1 2.78Å; T159-D182 VanDerWaalsContact CA-OD1 3.23Å; T159-D182 WeakPolarHBondContact CA-OD1 3.32Å; T159-D182 WeakPolarHBondContact CB-OD1 3.24Å; L160-D182 HydrophobicContact CD1-CB 3.75Å; L160-D182 HydrophobicContact CG-CB 3.99Å; L160-D182 PolarHBondContact N-OD1 3.07Å; V178-D182 PolarHBondContact O-N 3.26Å; L179-D182 PolarHBondContact O-N 3.29Å; D182-S184 VanDerWaalsContact C-N 3.28Å; D182-S184 PolarHBondContact O-N 3.33Å; D182-I185 WeakPolarHBondContact O-CG1 3.33Å; D182-I185 PolarHBondContact O-N 3.2Å; D182-V186 WeakPolarHBondContact O-CB 3.47Å; D182-V186 VanDerWaalsContact O-CG2 3.24Å; D182-V186 WeakPolarHBondContact O-CG2 3.48Å; D182-V186 PolarHBondContact O-N 3.05Å
183K89Confident76Confident107 Ų10782 Ų8247%0.46542%0.415SS..Hα-helixtrans-56.9-41.3172.9-69.9177.1-176.8-177.40112.1L179 N180 Y181 N187L179-K183 WeakPolarHBondContact O-CG 3.39Å; L179-K183 PolarHBondContact O-N 3.1Å; N180-K183 PolarHBondContact O-N 2.91Å; Y181-K183 VanDerWaalsContact C-N 3.34Å; Y181-K183 PolarHBondContact O-N 3.45Å; K183-N187 WeakPolarHBondContact O-CB 3.5Å; K183-N187 PolarHBondContact O-N 3.11Å; K183-N187 PolarHBondContact O-ND2 2.64Å; K183-N187 VanDerWaalsContact O-ND2 3.13Å
184S85.9Confident73.5Confident51 Ų5186.8 Ų86.836%0.35745%0.446SS..Hα-helixtrans-66.5-41-179.778.60000112.8N180 Y181 D182 L188N180-S184 PolarHBondContact O-N 3.44Å; N180-S184 VanDerWaalsContact O-N 3.07Å; Y181-S184 WeakPolarHBondContact O-CA 3.36Å; Y181-S184 WeakPolarHBondContact O-CB 3.43Å; Y181-S184 PolarHBondContact O-N 3.48Å; Y181-S184 PolarHBondContact O-OG 3.12Å; D182-S184 VanDerWaalsContact C-N 3.28Å; D182-S184 PolarHBondContact O-N 3.33Å; S184-L188 WeakPolarHBondContact O-CD1 3.37Å; S184-L188 VanDerWaalsContact O-CG 3.26Å; S184-L188 WeakPolarHBondContact O-CG 3.19Å; S184-L188 PolarHBondContact O-N 3.25Å
185I84.1Confident71Confident31 Ų3195.6 Ų95.616%0.15948%0.484CS..Hα-helixtrans-72.5-39.6177.961.4175.1000111.2H130 E158 T159 Y181 D182 N187 L188 L189H130-I185 WeakPolarHBondContact ND1-CD1 3.08Å; E158-I185 WeakPolarHBondContact O-CD1 3.45Å; T159-I185 HydrophobicContact CG2-CD1 4.07Å; Y181-I185 HydrophobicContact CD1-CD1 4.46Å; Y181-I185 HydrophobicContact CD1-CG2 4.24Å; Y181-I185 HydrophobicContact CE1-CD1 4.17Å; Y181-I185 HydrophobicContact CE1-CG2 3.67Å; Y181-I185 HydrophobicContact CE2-CG2 4.01Å; Y181-I185 PolarHBondContact O-N 3.24Å; D182-I185 WeakPolarHBondContact O-CG1 3.33Å; D182-I185 PolarHBondContact O-N 3.2Å; I185-N187 VanDerWaalsContact C-N 3.3Å; I185-N187 PolarHBondContact O-N 3.33Å; I185-L188 PolarHBondContact O-N 2.93Å; I185-L189 WeakPolarHBondContact O-CG 3.22Å; I185-L189 PolarHBondContact O-N 3.25Å
186V84.4Confident68.7Low63 Ų63102.9 Ų102.938%0.38252%0.52SS..Hα-helixtrans-64-37.3178.7171.20000111T159 D182 L188 L189T159-V186 HydrophobicContact CG2-CG2 3.86Å; D182-V186 WeakPolarHBondContact O-CB 3.47Å; D182-V186 VanDerWaalsContact O-CG2 3.24Å; D182-V186 WeakPolarHBondContact O-CG2 3.48Å; D182-V186 PolarHBondContact O-N 3.05Å; V186-L188 VanDerWaalsContact C-N 3.27Å; V186-L188 PolarHBondContact O-N 3.16Å; V186-L189 PolarHBondContact O-N 3.44Å
187N76.7Confident66.1Low125 Ų125107.9 Ų107.967%0.66854%0.544SS*.Hα-helixtrans-68.9-23.9175.1-73.3-25.3000113.6K183 I185K183-N187 WeakPolarHBondContact O-CB 3.5Å; K183-N187 PolarHBondContact O-N 3.11Å; K183-N187 PolarHBondContact O-ND2 2.64Å; K183-N187 VanDerWaalsContact O-ND2 3.13Å; I185-N187 VanDerWaalsContact C-N 3.3Å; I185-N187 PolarHBondContact O-N 3.33Å
188L73Confident64Low145 Ų145109.2 Ų109.276%0.75955%0.554SS**Hα-helixtrans-87.4-19.1177-68167.3000112.8S184 I185 V186S184-L188 WeakPolarHBondContact O-CD1 3.37Å; S184-L188 VanDerWaalsContact O-CG 3.26Å; S184-L188 WeakPolarHBondContact O-CG 3.19Å; S184-L188 PolarHBondContact O-N 3.25Å; I185-L188 PolarHBondContact O-N 2.93Å; V186-L188 VanDerWaalsContact C-N 3.27Å; V186-L188 PolarHBondContact O-N 3.16Å
189L65.3Low61.6Low98 Ų98116.4 Ų116.451%0.51359%0.592SS.*SBendtrans-71.3130.5174.3-71.4170.6000109.5T159 I185 V186 R191T159-L189 HydrophobicContact CG2-CD1 4.09Å; I185-L189 WeakPolarHBondContact O-CG 3.22Å; I185-L189 PolarHBondContact O-N 3.25Å; V186-L189 PolarHBondContact O-N 3.44Å; L189-R191 PolarHBondContact O-N 3.27Å; L189-R191 VanDerWaalsContact O-N 3.1Å
190P53Low59.2Low115 Ų115118.9 Ų118.975%0.74761%0.614SS**  trans-55.9121.7174.9-20.130000109.3S192P190-S192 PolarHBondContact O-N 3.05Å
191R48.7Very low57Low229 Ų229121.8 Ų121.886%0.86463%0.634SS**  trans-59.1101.6173-75.1-177.4178.8172.7-1.2108.3L189 I193L189-R191 PolarHBondContact O-N 3.27Å; L189-R191 VanDerWaalsContact O-N 3.1Å; R191-I193 PolarHBondContact O-N 3.29Å
192S42.1Very low54.6Low116 Ų116122.9 Ų122.981%0.81165%0.653SS**  trans-53.9112.1168.7-52.60000108.4P190P190-S192 PolarHBondContact O-N 3.05Å
193I33.5Very low52.1Low149 Ų149130.4 Ų130.476%0.76469%0.688SS**  trans-51133.7176.1-59.8165.7000108.6R191 K195R191-I193 PolarHBondContact O-N 3.29Å; I193-K195 PolarHBondContact O-N 2.69Å
194P33.9Very low49.3Very low110 Ų110131.7 Ų131.771%0.71470%0.704SS**  trans-59.5127.9176.316-21000109.9I196P194-I196 PolarHBondContact O-N 3.39Å
195K34.2Very low46.8Very low209 Ų209135 Ų13591%0.90973%0.727SS**  trans-54.7105.4178.6-73.3179.9176.21770110.3I193I193-K195 PolarHBondContact O-N 2.69Å
196I36.6Very low44.2Very low162 Ų162138 Ų13883%0.83176%0.757SS**  trans-78.1123.2160.3-66.2173.1000107.1P194P194-I196 PolarHBondContact O-N 3.39Å
197Q30.7Very low41.7Very low177 Ų177143.1 Ų143.183%0.82778%0.781SS**  trans-58.3131169.7-69.5168.6-12.700110.4
198K38.2Very low39.6Very low194 Ų194147.4 Ų147.484%0.84379%0.79SS**  trans175.5119.8130.9-96.9166.7-176.4-1760111.5
199D36.1Very low37.6Very low151 Ų151149 Ų14981%0.80780%0.795SS**  trans22135.7141.2-65.2-28.9000121.6
200S37.8Very low35.9Very low102 Ų102149.2 Ų149.271%0.71380%0.802SS**  trans87.3100.3145.3-54.20000119.5
201T38.7Very low34.9Very low123 Ų123149.1 Ų149.176%0.75581%0.805SS**  70.3102.9125-26.40000118.7
202S34.4Very low34.3Very low101 Ų101145.9 Ų145.971%0.70680%0.804SS**  trans79.9120.6134.8-65.30000120.8
203Q37.8Very low33.8Very low181 Ų181145.9 Ų145.985%0.84680%0.8SS**  trans10697.3145.5-65.9178.339.100119.2
204V30.6Very low33.4Very low134 Ų134146.6 Ų146.681%0.81281%0.806SS**  trans38.4111.9130.7-157.30000117.9
205S32.4Very low33.5Very low120 Ų120145.1 Ų145.184%0.83980%0.798SS**  trans-155.4130.6137-86.70000110.9
206A30.2Very low33.3Very low95 Ų95140.9 Ų140.979%0.78580%0.802SS**  trans-65134.6-177.600000111.8
207L32.3Very low32.9Very low170 Ų170137.9 Ų137.989%0.8980%0.796SS**  trans-135.398.7162.2-72.9175.7000109.7
208Y31.2Very low32.9Very low215 Ų215134.1 Ų134.184%0.84378%0.784SS**  trans42.297.8138.9-140-100.7000117.9
209M31.7Very low32.7Very low179 Ų179131 Ų13188%0.88277%0.771SS**  trans-86.4122.8158-80.4-77.7-156.300108.9S211M209-S211 PolarHBondContact O-N 3Å
210P30.5Very low32.5Very low102 Ų102130.2 Ų130.266%0.66278%0.777SS**  trans-74.5114.3158.76.110.4000107.7L212P210-L212 PolarHBondContact O-N 3.32Å
211S32Very low32Very low113 Ų113127.7 Ų127.779%0.7977%0.767SS**  trans-60112.7165.348.90000109.4M209M209-S211 PolarHBondContact O-N 3Å
212L35.2Very low31.6Very low161 Ų161127.1 Ų127.184%0.84376%0.764SS**  trans-64.5138.4161.6-87.5132.7000108.4P210 D214P210-L212 PolarHBondContact O-N 3.32Å; L212-D214 PolarHBondContact O-N 2.76Å
213P31.2Very low31.5Very low115 Ų115132 Ų13275%0.74777%0.768SS**  trans-69.1120.7-170.914.2-11.7000111.7S215P213-S215 PolarHBondContact O-N 2.72Å
214D26.3Very low31.1Very low164 Ų164132 Ų13288%0.87777%0.768SS**  trans-65.4111.2155.9-83.2-30.6000108.2L212L212-D214 PolarHBondContact O-N 2.76Å
215S34.8Very low31Very low80 Ų80134.2 Ų134.256%0.55977%0.769SS**  trans-163.795.1166.7-78.60000112.2P213 S217P213-S215 PolarHBondContact O-N 2.72Å; S215-S217 PolarHBondContact O-N 2.96Å
216A30.2Very low30.8Very low119 Ų119136.2 Ų136.298%0.98377%0.765SS**THydrogen-bonded Turntrans-73.738.5166.500000113.3
217S29.4Very low30.8Very low100 Ų100137.6 Ų137.670%0.69977%0.768SS**THydrogen-bonded Turntrans-146.112.1-171.6600000116.1S215S215-S217 PolarHBondContact O-N 2.96Å
218V30.7Very low30.7Very low97 Ų97137.6 Ų137.659%0.58876%0.761SS**  trans-106.7105.7-174.6178.90000110.4
219F32.9Very low31Very low129 Ų129134.2 Ų134.257%0.56676%0.758SS**  trans84.668.1145.4-73.2-128.2000116.5G221 V222F219-G221 WeakPolarHBondContact CB-O 3.45Å; F219-G221 WeakPolarHBondContact CD1-O 3.35Å; F219-G221 WeakPolarHBondContact CG-O 3.22Å; F219-V222 HydrophobicContact CD1-CB 4.05Å; F219-V222 HydrophobicContact CD1-CG2 4.4Å; F219-V222 HydrophobicContact CE1-CB 4.19Å; F219-V222 HydrophobicContact CE1-CG2 4.25Å
220S31.8Very low31.9Very low134 Ų134131.1 Ų131.194%0.93775%0.748SS**SBend-29.8109.995.2-1700000114.6
221G27.4Very low33.5Very low49 Ų49131.8 Ų131.851%0.50575%0.751SS.*SBendtrans91.6130.1177.900000112.8F219F219-G221 WeakPolarHBondContact CB-O 3.45Å; F219-G221 WeakPolarHBondContact CD1-O 3.35Å; F219-G221 WeakPolarHBondContact CG-O 3.22Å
222V31Very low35.3Very low111 Ų111128.9 Ų128.967%0.67373%0.729SS**  trans78.665.2175-153.30000116.8F219F219-V222 HydrophobicContact CD1-CB 4.05Å; F219-V222 HydrophobicContact CD1-CG2 4.4Å; F219-V222 HydrophobicContact CE1-CB 4.19Å; F219-V222 HydrophobicContact CE1-CG2 4.25Å
223Y32.8Very low37.5Very low205 Ų205125 Ų12580%0.80471%0.709SS**  trans-145.255.4142.2-72.8-70.4000108.6
224E28Very low40Very low179 Ų179123.2 Ų123.284%0.83670%0.698SS**  trans-88.3134.9140.9-79.5173.5161.500105.1
225E28.9Very low42.8Very low181 Ų181119.8 Ų119.885%0.84668%0.677SS**SBendtrans81.986.1-176.4-58.5-17215600118.5
226Q28.6Very low45.3Very low162 Ų162117.5 Ų117.576%0.75766%0.657SS**  154.371.1121.5-82.3-176.213.600109.5K228Q226-K228 PolarHBondContact O-N 2.9Å; Q226-K228 VanDerWaalsContact O-N 3.08Å
227C29.8Very low48.1Very low125 Ų125112.1 Ų112.185%0.84561%0.611SS**  trans-63.1102.2137.7-117.30000103.3D229C227-D229 VanDerWaalsContact C-N 3.27Å; C227-D229 PolarHBondContact O-N 2.59Å
228K31Very low51Low170 Ų170107.4 Ų107.474%0.73958%0.578SS**  trans-56.8109.4158.7-77.8-174.6176.9-178.20104.1Q226 V230Q226-K228 PolarHBondContact O-N 2.9Å; Q226-K228 VanDerWaalsContact O-N 3.08Å; K228-V230 VanDerWaalsContact C-N 3.3Å; K228-V230 PolarHBondContact O-N 3.22Å
229D36.6Very low53.6Low144 Ų144107.4 Ų107.477%0.7758%0.575SS**  trans-43.9107.5161.4-74.3-44.6000105.1C227 T231C227-D229 VanDerWaalsContact C-N 3.27Å; C227-D229 PolarHBondContact O-N 2.59Å; D229-T231 PolarHBondContact O-N 3.46Å
230V51.5Low56.2Low114 Ų114101.7 Ų101.769%0.69155%0.551SS**  trans-65.994.1165.5176.50000102.1K228 P232K228-V230 VanDerWaalsContact C-N 3.3Å; K228-V230 PolarHBondContact O-N 3.22Å; V230-P232 VanDerWaalsContact O-CD 3.24Å; V230-P232 WeakPolarHBondContact O-CD 3.26Å
231T63.5Low59Low116 Ų11697.4 Ų97.471%0.71252%0.521SS*.  trans-54.3115.5175.447.40000105.1D229 D233D229-T231 PolarHBondContact O-N 3.46Å; T231-D233 PolarHBondContact O-N 3.44Å
232P70.6Confident62Low52 Ų5296 Ų9634%0.33850%0.501SS..  trans-53.2143.7178.616.2-25.7000108.8V230 Q236 V240 F244V230-P232 VanDerWaalsContact O-CD 3.24Å; V230-P232 WeakPolarHBondContact O-CD 3.26Å; P232-Q236 HydrophobicContact CB-CB 4.12Å; P232-Q236 HydrophobicContact CB-CG 4.19Å; P232-V240 HydrophobicContact CB-CG1 3.82Å; P232-V240 HydrophobicContact CG-CG1 4.08Å; P232-F244 HydrophobicContact CB-CE1 4.19Å; P232-F244 HydrophobicContact CB-CE2 4.22Å; P232-F244 HydrophobicContact CB-CZ 3.77Å; P232-F244 HydrophobicContact CG-CD2 4.05Å; P232-F244 HydrophobicContact CG-CE1 4.23Å; P232-F244 HydrophobicContact CG-CE2 3.53Å; P232-F244 HydrophobicContact CG-CZ 3.61Å
233D79.7Confident64.9Low78 Ų7895.9 Ų95.942%0.41749%0.493SS..  trans-52.6136.7174.2-168.2-64.7000108.4T231 Q235 Q236 F244T231-D233 PolarHBondContact O-N 3.44Å; D233-Q235 PolarHBondContact O-N 2.81Å; D233-Q235 PolarHBondContact OD1-N 3.12Å; D233-Q236 HydrophobicContact CB-CB 4.42Å; D233-Q236 WeakPolarHBondContact O-CB 3.34Å; D233-Q236 PolarHBondContact O-N 3.49Å; D233-F244 WeakPolarHBondContact O-CZ 3.25Å
234P84.5Confident67.6Low79 Ų7988.3 Ų88.351%0.51347%0.465SS..THydrogen-bonded Turntrans-48.4-29.8176.4-29.535.7000113.7N248P234-N248 WeakPolarHBondContact O-CB 3.41Å
235Q84.9Confident70.5Confident92 Ų9279.9 Ų79.943%0.4343%0.425SS..THydrogen-bonded Turntrans-86.2-8-180-62.5176.5-26.800114.1D233 Q237 N293 N294D233-Q235 PolarHBondContact O-N 2.81Å; D233-Q235 PolarHBondContact OD1-N 3.12Å; Q235-Q237 WeakPolarHBondContact O-CG 3.37Å; Q235-Q237 PolarHBondContact O-N 3.24Å; Q235-Q237 PolarHBondContact O-NE2 3.35Å; Q235-N293 CarbonylContact C-O 3.58Å; Q235-N294 PolarHBondContact OE1-O 3.38Å
236Q88.4Confident73.3Confident31 Ų3173.9 Ų73.915%0.14540%0.397CS..  trans-57123.5-178-175.475.327.100111.4P232 D233 F238 V240 F244 N293P232-Q236 HydrophobicContact CB-CB 4.12Å; P232-Q236 HydrophobicContact CB-CG 4.19Å; D233-Q236 HydrophobicContact CB-CB 4.42Å; D233-Q236 WeakPolarHBondContact O-CB 3.34Å; D233-Q236 PolarHBondContact O-N 3.49Å; Q236-F238 WeakPolarHBondContact CG-O 3.19Å; Q236-F238 PolarHBondContact NE2-O 2.89Å; Q236-V240 HydrophobicContact CB-CG1 4.28Å; Q236-V240 HydrophobicContact CG-CG1 3.62Å; Q236-V240 HydrophobicContact CG-CG2 4.49Å; Q236-F244 HydrophobicContact CB-CE1 4.2Å; Q236-N293 VanDerWaalsContact CD-CG 3.47Å; Q236-N293 PolarHBondContact NE2-ND2 3.02Å; Q236-N293 VanDerWaalsContact NE2-ND2 3.19Å; Q236-N293 PolarHBondContact NE2-OD1 3.17Å; Q236-N293 VanDerWaalsContact NE2-OD1 3.14Å
237Q88.7Confident76.2Confident6 Ų670.6 Ų70.63%0.02839%0.388CS..  trans-106.3-28.8-179.3-59.3-58.4-64.300113.2Q235 I245 N249 I256 N293 F316Q235-Q237 WeakPolarHBondContact O-CG 3.37Å; Q235-Q237 PolarHBondContact O-N 3.24Å; Q235-Q237 PolarHBondContact O-NE2 3.35Å; Q237-I245 WeakPolarHBondContact O-CD1 3.37Å; Q237-N249 PolarHBondContact NE2-OD1 2.8Å; Q237-N249 PolarHBondContact OE1-ND2 3.08Å; Q237-I256 HydrophobicContact CG-CG2 4.35Å; Q237-N293 PolarHBondContact N-OD1 3.15Å; Q237-F316 VanDerWaalsContact O-CE2 3.28Å; Q237-F316 WeakPolarHBondContact O-CE2 3.26Å
238F90Very high78.7Confident2 Ų267.6 Ų67.61%0.00936%0.364CS..SBendtrans-104.4153.3-178.9-66.6-93000112Q236 V240 V257 Q289 Y292 N293 L312 F316 E319Q236-F238 WeakPolarHBondContact CG-O 3.19Å; Q236-F238 PolarHBondContact NE2-O 2.89Å; F238-V240 PolarHBondContact O-N 2.95Å; F238-V257 HydrophobicContact CE2-CG2 4.01Å; F238-V257 HydrophobicContact CZ-CG1 4.4Å; F238-V257 HydrophobicContact CZ-CG2 3.67Å; F238-Q289 HydrophobicContact CD1-CG 4.21Å; F238-Q289 HydrophobicContact CD2-CB 4.01Å; F238-Q289 HydrophobicContact CD2-CG 4.03Å; F238-Q289 HydrophobicContact CE1-CG 3.88Å; F238-Q289 HydrophobicContact CE2-CB 3.96Å; F238-Q289 HydrophobicContact CE2-CG 3.71Å; F238-Q289 HydrophobicContact CG-CG 4.29Å; F238-Q289 HydrophobicContact CZ-CB 4.4Å; F238-Q289 HydrophobicContact CZ-CG 3.64Å; F238-Y292 HydrophobicContact CE2-CD2 4.41Å; F238-Y292 HydrophobicContact CE2-CG 4.47Å; F238-N293 PolarHBondContact N-OD1 2.79Å; F238-L312 HydrophobicContact CE1-CD1 4.25Å; F238-L312 HydrophobicContact CE2-CD1 4.35Å; F238-L312 HydrophobicContact CZ-CD1 3.55Å; F238-L312 HydrophobicContact CZ-CG 4.22Å; F238-F316 HydrophobicContact CD1-CB 4.36Å; F238-F316 HydrophobicContact CD1-CD2 4.3Å; F238-F316 VanDerWaalsContact CE1-CA 3.5Å; F238-F316 HydrophobicContact CE1-CB 3.7Å; F238-F316 HydrophobicContact CE1-CD2 4.11Å; F238-F316 HydrophobicContact CE1-CG 4.43Å; F238-F316 HydrophobicContact CZ-CB 4.34Å; F238-F316 HydrophobicContact CZ-CD2 4.44Å; F238-E319 WeakPolarHBondContact CD1-OE2 3.43Å
239N85.5Confident80.8Confident97 Ų9761.3 Ų61.352%0.51934%0.338SS..SBendtrans63.226.9178.7-55.3-83.2000114.4E319N239-E319 WeakPolarHBondContact CA-O 3.29Å; N239-E319 PolarHBondContact N-O 3.26Å; N239-E319 VanDerWaalsContact N-O 3.08Å
240V86.4Confident82.5Confident9 Ų958.1 Ų58.16%0.05534%0.339CS..SBendtrans-130.9166.2178.6-69.30000110P232 Q236 F238 F244 I245P232-V240 HydrophobicContact CB-CG1 3.82Å; P232-V240 HydrophobicContact CG-CG1 4.08Å; Q236-V240 HydrophobicContact CB-CG1 4.28Å; Q236-V240 HydrophobicContact CG-CG1 3.62Å; Q236-V240 HydrophobicContact CG-CG2 4.49Å; F238-V240 PolarHBondContact O-N 2.95Å; V240-F244 HydrophobicContact CB-CB 4.32Å; V240-F244 HydrophobicContact CB-CD1 3.67Å; V240-F244 HydrophobicContact CB-CE1 4.35Å; V240-F244 HydrophobicContact CB-CG 4.18Å; V240-F244 HydrophobicContact CG1-CD1 3.83Å; V240-F244 HydrophobicContact CG1-CE1 4.04Å; V240-F244 HydrophobicContact CG1-CG 4.43Å; V240-F244 HydrophobicContact CG2-CD1 3.83Å; V240-F244 HydrophobicContact CG2-CE1 4.43Å; V240-I245 HydrophobicContact CG2-CD1 3.87Å; V240-I245 HydrophobicContact CG2-CG1 3.59Å
241S90.7Very high83.6Confident44 Ų4454.6 Ų54.631%0.30833%0.325SS..  trans-79.2157.317768.20000111.6Q243 F244 I245 T321S241-Q243 PolarHBondContact O-N 2.9Å; S241-F244 WeakPolarHBondContact O-CB 3.43Å; S241-F244 PolarHBondContact O-N 2.79Å; S241-F244 VanDerWaalsContact O-N 3.12Å; S241-F244 WeakPolarHBondContact OG-CB 3.46Å; S241-F244 PolarHBondContact OG-N 3.48Å; S241-I245 PolarHBondContact O-N 2.64Å; S241-I245 VanDerWaalsContact O-N 3.15Å; S241-T321 WeakPolarHBondContact CA-OG1 3.47Å; S241-T321 WeakPolarHBondContact CB-OG1 3.28Å
242L92Very high84.3Confident18 Ų1856.7 Ų56.79%0.09432%0.32CS..Hα-helixtrans-58.8-39173.1-64.3175.9000111.9F244 I245 K246 P255 F316 L320 L324 I363L242-F244 VanDerWaalsContact C-N 3.3Å; L242-F244 PolarHBondContact O-N 3.39Å; L242-I245 PolarHBondContact O-N 3.2Å; L242-K246 WeakPolarHBondContact O-CB 3.42Å; L242-K246 PolarHBondContact O-N 3.48Å; L242-P255 HydrophobicContact CD2-CG 4.48Å; L242-F316 HydrophobicContact CD2-CE1 4.29Å; L242-F316 HydrophobicContact CD2-CZ 4.15Å; L242-L320 HydrophobicContact CD1-CD1 4.32Å; L242-L320 HydrophobicContact CD2-CD1 3.94Å; L242-L320 HydrophobicContact CD2-CD2 3.64Å; L242-L320 HydrophobicContact CD2-CG 4.47Å; L242-L320 HydrophobicContact CG-CD1 4.12Å; L242-L320 HydrophobicContact CG-CD2 4.14Å; L242-L324 HydrophobicContact CD1-CD1 3.74Å; L242-I363 HydrophobicContact CD1-CD1 3.69Å; L242-I363 HydrophobicContact CD2-CD1 3.48Å; L242-I363 VanDerWaalsContact CD2-CD1 3.48Å; L242-I363 HydrophobicContact CG-CD1 4.06Å
243Q90.5Very high84.8Confident109 Ų10956 Ų5651%0.50932%0.316SS..Hα-helixtrans-60.1-39.4176-172.561.334.400112.3S241 T247S241-Q243 PolarHBondContact O-N 2.9Å; Q243-T247 WeakPolarHBondContact O-CB 3.38Å; Q243-T247 PolarHBondContact O-N 3.45Å; Q243-T247 PolarHBondContact O-OG1 2.82Å
244F90.4Very high85.3Confident46 Ų4653.6 Ų53.620%0.20230%0.303CS..Hα-helixtrans-64.1-48.9176.1176.2-90.7000110.8P232 D233 Q236 V240 S241 L242 K246 T247 N248P232-F244 HydrophobicContact CB-CE1 4.19Å; P232-F244 HydrophobicContact CB-CE2 4.22Å; P232-F244 HydrophobicContact CB-CZ 3.77Å; P232-F244 HydrophobicContact CG-CD2 4.05Å; P232-F244 HydrophobicContact CG-CE1 4.23Å; P232-F244 HydrophobicContact CG-CE2 3.53Å; P232-F244 HydrophobicContact CG-CZ 3.61Å; D233-F244 WeakPolarHBondContact O-CZ 3.25Å; Q236-F244 HydrophobicContact CB-CE1 4.2Å; V240-F244 HydrophobicContact CB-CB 4.32Å; V240-F244 HydrophobicContact CB-CD1 3.67Å; V240-F244 HydrophobicContact CB-CE1 4.35Å; V240-F244 HydrophobicContact CB-CG 4.18Å; V240-F244 HydrophobicContact CG1-CD1 3.83Å; V240-F244 HydrophobicContact CG1-CE1 4.04Å; V240-F244 HydrophobicContact CG1-CG 4.43Å; V240-F244 HydrophobicContact CG2-CD1 3.83Å; V240-F244 HydrophobicContact CG2-CE1 4.43Å; S241-F244 WeakPolarHBondContact O-CB 3.43Å; S241-F244 PolarHBondContact O-N 2.79Å; S241-F244 VanDerWaalsContact O-N 3.12Å; S241-F244 WeakPolarHBondContact OG-CB 3.46Å; S241-F244 PolarHBondContact OG-N 3.48Å; L242-F244 VanDerWaalsContact C-N 3.3Å; L242-F244 PolarHBondContact O-N 3.39Å; F244-K246 PolarHBondContact O-N 2.92Å; F244-T247 PolarHBondContact O-N 2.94Å; F244-N248 WeakPolarHBondContact CE1-ND2 3.23Å; F244-N248 WeakPolarHBondContact CE2-ND2 3.45Å; F244-N248 WeakPolarHBondContact CZ-ND2 3.37Å; F244-N248 PolarHBondContact O-N 3.49Å; F244-N248 VanDerWaalsContact O-N 3.12Å; F244-N248 PolarHBondContact O-ND2 3.25Å
245I88.7Confident85.6Confident2 Ų249.9 Ų49.91%0.0128%0.279CS..Hα-helixtrans-60.1-49.7179.7-63167.5000110.3Q237 V240 S241 L242 T247 N248 N249 P255 F316Q237-I245 WeakPolarHBondContact O-CD1 3.37Å; V240-I245 HydrophobicContact CG2-CD1 3.87Å; V240-I245 HydrophobicContact CG2-CG1 3.59Å; S241-I245 PolarHBondContact O-N 2.64Å; S241-I245 VanDerWaalsContact O-N 3.15Å; L242-I245 PolarHBondContact O-N 3.2Å; I245-T247 VanDerWaalsContact C-N 3.29Å; I245-T247 PolarHBondContact O-N 3.36Å; I245-N248 PolarHBondContact O-N 3.25Å; I245-N248 VanDerWaalsContact O-N 3.14Å; I245-N249 WeakPolarHBondContact CG2-ND2 3.43Å; I245-N249 VanDerWaalsContact O-CB 3.26Å; I245-N249 WeakPolarHBondContact O-CB 3.27Å; I245-N249 PolarHBondContact O-N 3.37Å; I245-P255 HydrophobicContact CD1-CG 4.33Å; I245-P255 HydrophobicContact CG2-CB 3.92Å; I245-P255 HydrophobicContact CG2-CG 4.03Å; I245-F316 HydrophobicContact CD1-CE2 3.68Å; I245-F316 HydrophobicContact CD1-CZ 3.64Å
246K87.4Confident85.7Confident55 Ų5549.2 Ų49.224%0.23928%0.277CS..Hα-helixtrans-57.1-42.9179179.8176174.8-178.30112.1L242 F244 N248 N249 G251 D359L242-K246 WeakPolarHBondContact O-CB 3.42Å; L242-K246 PolarHBondContact O-N 3.48Å; F244-K246 PolarHBondContact O-N 2.92Å; K246-N248 VanDerWaalsContact C-N 3.33Å; K246-N248 PolarHBondContact O-N 3.45Å; K246-N249 PolarHBondContact O-N 2.97Å; K246-G251 WeakPolarHBondContact CE-O 3.48Å; K246-G251 WeakPolarHBondContact O-CA 3.46Å; K246-G251 PolarHBondContact O-N 3.47Å; K246-D359 VanDerWaalsContact CD-OD2 3.23Å; K246-D359 WeakPolarHBondContact CD-OD2 3.43Å; K246-D359 IonicContact NZ-OD1 3.82Å; K246-D359 PolarHBondContact NZ-OD1 2.88Å; K246-D359 IonicContact NZ-OD2 3.27Å; K246-D359 PolarHBondContact NZ-OD2 3.17Å
247T88.6Confident85.8Confident94 Ų9447.8 Ų47.858%0.57727%0.271SS*.Hα-helixtrans-64-37.9179.6-57.30000111.9Q243 F244 I245Q243-T247 WeakPolarHBondContact O-CB 3.38Å; Q243-T247 PolarHBondContact O-N 3.45Å; Q243-T247 PolarHBondContact O-OG1 2.82Å; F244-T247 PolarHBondContact O-N 2.94Å; I245-T247 VanDerWaalsContact C-N 3.29Å; I245-T247 PolarHBondContact O-N 3.36Å
248N83.3Confident86Confident62 Ų6247.5 Ų47.533%0.33227%0.269SS..Hα-helixtrans-88.4-19.4-179.4-65.9-73.4000114.1P234 F244 I245 K246 G250P234-N248 WeakPolarHBondContact O-CB 3.41Å; F244-N248 WeakPolarHBondContact CE1-ND2 3.23Å; F244-N248 WeakPolarHBondContact CE2-ND2 3.45Å; F244-N248 WeakPolarHBondContact CZ-ND2 3.37Å; F244-N248 PolarHBondContact O-N 3.49Å; F244-N248 VanDerWaalsContact O-N 3.12Å; F244-N248 PolarHBondContact O-ND2 3.25Å; I245-N248 PolarHBondContact O-N 3.25Å; I245-N248 VanDerWaalsContact O-N 3.14Å; K246-N248 VanDerWaalsContact C-N 3.33Å; K246-N248 PolarHBondContact O-N 3.45Å; N248-G250 VanDerWaalsContact C-N 3.31Å; N248-G250 PolarHBondContact O-N 3.21Å
249N74.6Confident85.9Confident38 Ų3850.2 Ų50.220%0.20328%0.282CS..THydrogen-bonded Turntrans-94.131178-69.4-0.2000112.8Q237 I245 K246 G251 R252Q237-N249 PolarHBondContact NE2-OD1 2.8Å; Q237-N249 PolarHBondContact OE1-ND2 3.08Å; I245-N249 WeakPolarHBondContact CG2-ND2 3.43Å; I245-N249 VanDerWaalsContact O-CB 3.26Å; I245-N249 WeakPolarHBondContact O-CB 3.27Å; I245-N249 PolarHBondContact O-N 3.37Å; K246-N249 PolarHBondContact O-N 2.97Å; N249-G251 VanDerWaalsContact C-N 3.3Å; N249-G251 PolarHBondContact O-N 3.28Å; N249-R252 PolarHBondContact O-N 3.47Å
250G73Confident86.2Confident76 Ų7648 Ų4878%0.78427%0.27SS*.THydrogen-bonded Turntrans67.726176.500000114.6N248 R252N248-G250 VanDerWaalsContact C-N 3.31Å; N248-G250 PolarHBondContact O-N 3.21Å; G250-R252 VanDerWaalsContact C-N 3.34Å
251G74.2Confident86.7Confident40 Ų4047.5 Ų47.541%0.41227%0.267SS..THydrogen-bonded Turntrans84.92.4-179.700000114.6K246 N249K246-G251 WeakPolarHBondContact CE-O 3.48Å; K246-G251 WeakPolarHBondContact O-CA 3.46Å; K246-G251 PolarHBondContact O-N 3.47Å; N249-G251 VanDerWaalsContact C-N 3.3Å; N249-G251 PolarHBondContact O-N 3.28Å
252R77.8Confident87.1Confident160 Ų16045.4 Ų45.460%0.60425%0.253SS*.  trans-68.8127.2176.5-68.9-167.1-128-173.72110.7N249 G250N249-R252 PolarHBondContact O-N 3.47Å; G250-R252 VanDerWaalsContact C-N 3.34Å
253P82.6Confident87.2Confident37 Ų3748.8 Ų48.824%0.2427%0.271CS..SBendtrans-74.9-33.4-177.624.9-28.1000112.2P255 E362 I363P253-P255 WeakPolarHBondContact O-CD 3.43Å; P253-E362 HydrophobicContact CB-CB 4.5Å; P253-E362 VanDerWaalsContact CB-OE2 3.31Å; P253-E362 WeakPolarHBondContact CB-OE2 3.44Å; P253-E362 WeakPolarHBondContact CG-OE2 3.3Å; P253-I363 WeakPolarHBondContact O-CD1 3.45Å
254I89.2Confident87.5Confident28 Ų2844.1 Ų44.114%0.14425%0.249CC..SBendtrans-86.4121.6178.5-49.8-178.2000109.5F258 E259 F366I254-F258 HydrophobicContact CG2-CB 4.12Å; I254-F258 HydrophobicContact CG2-CD1 4.19Å; I254-E259 HydrophobicContact CB-CG 4.17Å; I254-E259 HydrophobicContact CG2-CG 3.53Å; I254-F366 HydrophobicContact CD1-CB 4.06Å; I254-F366 HydrophobicContact CD1-CD1 4.18Å; I254-F366 HydrophobicContact CD1-CD2 3.61Å; I254-F366 HydrophobicContact CD1-CE2 4.03Å; I254-F366 HydrophobicContact CD1-CG 3.7Å; I254-F366 HydrophobicContact CD1-CZ 4.46Å; I254-F366 HydrophobicContact CG2-CD1 4.22Å; I254-F366 HydrophobicContact CG2-CE1 4.32Å
255P90.7Very high87.9Confident1 Ų142 Ų421%0.00624%0.239CC..  trans-65.2143.9176.6-23.835.9000112.6L242 I245 P253 V257 F258 E259 F316 I363L242-P255 HydrophobicContact CD2-CG 4.48Å; I245-P255 HydrophobicContact CD1-CG 4.33Å; I245-P255 HydrophobicContact CG2-CB 3.92Å; I245-P255 HydrophobicContact CG2-CG 4.03Å; P253-P255 WeakPolarHBondContact O-CD 3.43Å; P255-V257 VanDerWaalsContact C-N 3.3Å; P255-V257 HydrophobicContact CB-CG1 4.27Å; P255-V257 PolarHBondContact O-N 3.4Å; P255-F258 HydrophobicContact CB-CB 4.21Å; P255-F258 WeakPolarHBondContact O-CA 3.39Å; P255-F258 WeakPolarHBondContact O-CB 3.36Å; P255-F258 PolarHBondContact O-N 3.24Å; P255-E259 PolarHBondContact O-N 2.64Å; P255-E259 VanDerWaalsContact O-N 3.15Å; P255-F316 HydrophobicContact CB-CE1 4.44Å; P255-F316 HydrophobicContact CB-CE2 4.06Å; P255-F316 HydrophobicContact CB-CZ 3.76Å; P255-F316 HydrophobicContact CG-CE1 3.92Å; P255-F316 HydrophobicContact CG-CE2 4.19Å; P255-F316 HydrophobicContact CG-CZ 3.4Å; P255-F316 VanDerWaalsContact CG-CZ 3.4Å; P255-I363 HydrophobicContact CG-CD1 4.46Å
256I87.5Confident88.3Confident79 Ų7945.1 Ų45.141%0.40525%0.251SS..Hα-helixtrans-56.2-43.3-178.5-170.8168.3000112.5Q237 F258 E259 D260 Y292Q237-I256 HydrophobicContact CG-CG2 4.35Å; I256-F258 PolarHBondContact O-N 3.4Å; I256-F258 VanDerWaalsContact O-N 3.14Å; I256-E259 PolarHBondContact O-N 3.21Å; I256-E259 VanDerWaalsContact O-N 3.15Å; I256-D260 WeakPolarHBondContact CG1-OD2 3.4Å; I256-D260 WeakPolarHBondContact O-CB 3.24Å; I256-D260 VanDerWaalsContact O-CG 3.3Å; I256-D260 PolarHBondContact O-N 3.29Å; I256-Y292 HydrophobicContact CG2-CD1 4.29Å; I256-Y292 HydrophobicContact CG2-CE1 4.48Å
257V91Very high88.7Confident1 Ų147.5 Ų47.51%0.00627%0.266CS..Hα-helixtrans-61.9-25.7177.569.90000113.3F238 P255 A261 Y292 L312 F316F238-V257 HydrophobicContact CE2-CG2 4.01Å; F238-V257 HydrophobicContact CZ-CG1 4.4Å; F238-V257 HydrophobicContact CZ-CG2 3.67Å; P255-V257 VanDerWaalsContact C-N 3.3Å; P255-V257 HydrophobicContact CB-CG1 4.27Å; P255-V257 PolarHBondContact O-N 3.4Å; V257-A261 VanDerWaalsContact O-CB 3.23Å; V257-A261 WeakPolarHBondContact O-CB 3.44Å; V257-A261 PolarHBondContact O-N 2.75Å; V257-Y292 HydrophobicContact CB-CD1 3.87Å; V257-Y292 HydrophobicContact CB-CD2 4.42Å; V257-Y292 HydrophobicContact CB-CE1 3.85Å; V257-Y292 HydrophobicContact CB-CE2 4.43Å; V257-Y292 HydrophobicContact CB-CG 4.15Å; V257-Y292 HydrophobicContact CG2-CD1 4.07Å; V257-Y292 HydrophobicContact CG2-CD2 3.72Å; V257-Y292 HydrophobicContact CG2-CE1 3.97Å; V257-Y292 HydrophobicContact CG2-CE2 3.65Å; V257-Y292 HydrophobicContact CG2-CG 3.95Å; V257-L312 HydrophobicContact CG2-CD1 4.36Å; V257-L312 HydrophobicContact CG2-CD2 3.74Å; V257-L312 HydrophobicContact CG2-CG 3.92Å; V257-F316 HydrophobicContact CG1-CB 4.45Å; V257-F316 HydrophobicContact CG1-CD2 3.32Å; V257-F316 HydrophobicContact CG1-CE2 3.68Å; V257-F316 HydrophobicContact CG1-CG 3.92Å
258F91Very high89.1Confident0 Ų049.4 Ų49.40%026%0.263CS..Hα-helixtrans-78.8-42.9178.1-147.8-95.1000111I254 P255 I256 I262 L313 F316 L317 I363 F366 L367I254-F258 HydrophobicContact CG2-CB 4.12Å; I254-F258 HydrophobicContact CG2-CD1 4.19Å; P255-F258 HydrophobicContact CB-CB 4.21Å; P255-F258 WeakPolarHBondContact O-CA 3.39Å; P255-F258 WeakPolarHBondContact O-CB 3.36Å; P255-F258 PolarHBondContact O-N 3.24Å; I256-F258 PolarHBondContact O-N 3.4Å; I256-F258 VanDerWaalsContact O-N 3.14Å; F258-I262 HydrophobicContact CD1-CD1 3.73Å; F258-I262 HydrophobicContact CE1-CD1 3.58Å; F258-I262 HydrophobicContact CZ-CD1 4.47Å; F258-I262 WeakPolarHBondContact O-CB 3.18Å; F258-I262 WeakPolarHBondContact O-CG1 3.14Å; F258-I262 PolarHBondContact O-N 3.34Å; F258-L313 HydrophobicContact CD1-CD1 4.1Å; F258-L313 HydrophobicContact CD2-CD1 3.34Å; F258-L313 HydrophobicContact CE1-CD1 4.11Å; F258-L313 HydrophobicContact CE2-CD1 3.35Å; F258-L313 HydrophobicContact CE2-CG 4.22Å; F258-L313 HydrophobicContact CG-CD1 3.73Å; F258-L313 HydrophobicContact CZ-CD1 3.76Å; F258-F316 AromaticContact CD2-CD1 3.54Å; F258-F316 HydrophobicContact CD2-CD1 3.54Å; F258-F316 AromaticContact CD2-CE1 3.88Å; F258-F316 HydrophobicContact CD2-CE1 3.88Å; F258-F316 HydrophobicContact CD2-CG 4.39Å; F258-F316 AromaticContact CE2-CD1 3.94Å; F258-F316 HydrophobicContact CE2-CD1 3.94Å; F258-F316 HydrophobicContact CE2-CE1 4.38Å; F258-L317 HydrophobicContact CE2-CD1 4.31Å; F258-L317 HydrophobicContact CE2-CD2 3.65Å; F258-L317 HydrophobicContact CE2-CG 3.9Å; F258-L317 HydrophobicContact CZ-CD2 4.12Å; F258-I363 HydrophobicContact CD1-CG2 4.41Å; F258-I363 HydrophobicContact CE1-CG2 3.97Å; F258-I363 HydrophobicContact CE2-CG2 4.16Å; F258-I363 HydrophobicContact CZ-CG2 3.83Å; F258-F366 AromaticContact CD1-CD1 3.83Å; F258-F366 HydrophobicContact CD1-CD1 3.83Å; F258-F366 HydrophobicContact CD1-CE1 4.28Å; F258-F366 AromaticContact CE1-CD1 3.99Å; F258-F366 HydrophobicContact CE1-CD1 3.99Å; F258-L367 HydrophobicContact CE1-CB 3.95Å; F258-L367 HydrophobicContact CE1-CD1 4.35Å; F258-L367 HydrophobicContact CZ-CB 3.82Å; F258-L367 HydrophobicContact CZ-CD1 3.89Å; F258-L367 HydrophobicContact CZ-CD2 4.22Å; F258-L367 HydrophobicContact CZ-CG 4.17Å
259E89.7Confident89.7Confident58 Ų5846.6 Ų46.627%0.27125%0.248SC..Hα-helixtrans-63.4-54.8174.4-64.3-174.211500110.5I254 P255 I256 A261 I262 D263I254-E259 HydrophobicContact CB-CG 4.17Å; I254-E259 HydrophobicContact CG2-CG 3.53Å; P255-E259 PolarHBondContact O-N 2.64Å; P255-E259 VanDerWaalsContact O-N 3.15Å; I256-E259 PolarHBondContact O-N 3.21Å; I256-E259 VanDerWaalsContact O-N 3.15Å; E259-A261 VanDerWaalsContact C-N 3.31Å; E259-A261 PolarHBondContact O-N 3.07Å; E259-I262 PolarHBondContact O-N 3.09Å; E259-I262 VanDerWaalsContact O-N 3.14Å; E259-D263 WeakPolarHBondContact O-CB 3.29Å; E259-D263 PolarHBondContact O-N 3.26Å
260D91.7Very high90.9Very high50 Ų5045.4 Ų45.427%0.26724%0.242SC..Hα-helixtrans-56.9-44.2-177.4-68.1-18.1000111.8I256 Y264 Y292 L300I256-D260 WeakPolarHBondContact CG1-OD2 3.4Å; I256-D260 WeakPolarHBondContact O-CB 3.24Å; I256-D260 VanDerWaalsContact O-CG 3.3Å; I256-D260 PolarHBondContact O-N 3.29Å; D260-Y264 WeakPolarHBondContact O-CB 3.21Å; D260-Y264 PolarHBondContact O-N 3.38Å; D260-Y292 WeakPolarHBondContact CB-OH 3.49Å; D260-Y292 WeakPolarHBondContact OD2-CE1 3.37Å; D260-Y292 PolarHBondContact OD2-OH 3.12Å; D260-L300 HydrophobicContact CB-CD1 4.36Å
261A96.9Very high92.1Very high0 Ų045.1 Ų45.10%023%0.225CC..Hα-helixtrans-65.9-44.4178.700000112.4V257 E259 L265 L300 L313V257-A261 VanDerWaalsContact O-CB 3.23Å; V257-A261 WeakPolarHBondContact O-CB 3.44Å; V257-A261 PolarHBondContact O-N 2.75Å; E259-A261 VanDerWaalsContact C-N 3.31Å; E259-A261 PolarHBondContact O-N 3.07Å; A261-L265 VanDerWaalsContact O-CB 3.31Å; A261-L265 WeakPolarHBondContact O-CB 3.29Å; A261-L265 VanDerWaalsContact O-CD1 3.24Å; A261-L265 WeakPolarHBondContact O-CD1 3.4Å; A261-L265 WeakPolarHBondContact O-CG 3.24Å; A261-L265 PolarHBondContact O-N 2.92Å; A261-L300 HydrophobicContact CB-CD1 4.17Å; A261-L313 HydrophobicContact CB-CB 4.22Å; A261-L313 HydrophobicContact CB-CD1 4.25Å
262I97.9Very high93.2Very high0 Ų044.7 Ų44.70%021%0.214CC..Hα-helixtrans-69.2-40.4-179.8-76.3175.5000111F258 E259 L265 R266 L313 F366 F370F258-I262 HydrophobicContact CD1-CD1 3.73Å; F258-I262 HydrophobicContact CE1-CD1 3.58Å; F258-I262 HydrophobicContact CZ-CD1 4.47Å; F258-I262 WeakPolarHBondContact O-CB 3.18Å; F258-I262 WeakPolarHBondContact O-CG1 3.14Å; F258-I262 PolarHBondContact O-N 3.34Å; E259-I262 PolarHBondContact O-N 3.09Å; E259-I262 VanDerWaalsContact O-N 3.14Å; I262-L265 PolarHBondContact O-N 3.18Å; I262-R266 WeakPolarHBondContact O-CG 3.41Å; I262-R266 PolarHBondContact O-N 3.25Å; I262-L313 HydrophobicContact CD1-CD1 4.33Å; I262-L313 HydrophobicContact CD1-CD2 4.29Å; I262-L313 HydrophobicContact CG1-CD1 4.2Å; I262-L313 HydrophobicContact CG1-CD2 3.89Å; I262-F366 HydrophobicContact CB-CE1 4.15Å; I262-F366 HydrophobicContact CD1-CD1 3.61Å; I262-F366 HydrophobicContact CD1-CE1 3.53Å; I262-F366 HydrophobicContact CG1-CE1 4.4Å; I262-F366 HydrophobicContact CG2-CE1 4.03Å; I262-F366 HydrophobicContact CG2-CZ 4.3Å; I262-F370 HydrophobicContact CD1-CB 4.32Å; I262-F370 HydrophobicContact CD1-CD1 4.06Å; I262-F370 HydrophobicContact CD1-CG 4.3Å; I262-F370 HydrophobicContact CG1-CD1 3.83Å; I262-F370 HydrophobicContact CG1-CE1 4.13Å; I262-F370 HydrophobicContact CG1-CG 4.15Å; I262-F370 HydrophobicContact CG2-CB 4.14Å; I262-F370 HydrophobicContact CG2-CD1 4.32Å; I262-F370 HydrophobicContact CG2-CD2 3.79Å; I262-F370 HydrophobicContact CG2-CE2 4.31Å; I262-F370 HydrophobicContact CG2-CG 3.8Å
263D93.8Very high94.1Very high88 Ų8843.3 Ų43.347%0.47122%0.215SC..Hα-helixtrans-65.9-43.8179.3-75.5-10.4000111.5E259 L265 R266 D267E259-D263 WeakPolarHBondContact O-CB 3.29Å; E259-D263 PolarHBondContact O-N 3.26Å; D263-L265 VanDerWaalsContact C-N 3.34Å; D263-L265 PolarHBondContact O-N 3.4Å; D263-R266 PolarHBondContact O-N 3.35Å; D263-R266 IonicContact OD1-NH1 3.79Å; D263-D267 PolarHBondContact O-N 2.9Å; D263-D267 VanDerWaalsContact O-N 3.08Å
264Y97.3Very high94.6Very high12 Ų1242 Ų425%0.04721%0.207CC..Hα-helixtrans-62.9-39.7173.2176.8-106.8000112.4D260 R266 D267 R268 L300 R301 D304 D305 A309D260-Y264 WeakPolarHBondContact O-CB 3.21Å; D260-Y264 PolarHBondContact O-N 3.38Å; Y264-R266 VanDerWaalsContact C-N 3.35Å; Y264-D267 PolarHBondContact O-N 2.85Å; Y264-R268 HydrophobicContact CD2-CG 4.18Å; Y264-R268 HydrophobicContact CE2-CB 4.05Å; Y264-R268 HydrophobicContact CE2-CG 3.66Å; Y264-R268 PolarHBondContact O-N 3.09Å; Y264-L300 HydrophobicContact CD1-CB 3.93Å; Y264-L300 HydrophobicContact CD1-CD1 4.5Å; Y264-L300 HydrophobicContact CD2-CB 4.09Å; Y264-L300 HydrophobicContact CE1-CB 4.43Å; Y264-L300 HydrophobicContact CG-CB 3.72Å; Y264-R301 HydrophobicContact CD2-CG 3.72Å; Y264-R301 HydrophobicContact CE2-CB 4.37Å; Y264-R301 HydrophobicContact CE2-CG 3.88Å; Y264-D304 WeakPolarHBondContact OH-CA 3.33Å; Y264-D305 PolarHBondContact OH-N 3.4Å; Y264-D305 VanDerWaalsContact OH-N 3.09Å; Y264-A309 HydrophobicContact CD1-CB 3.48Å; Y264-A309 VanDerWaalsContact CD1-CB 3.48Å; Y264-A309 HydrophobicContact CE1-CB 3.99Å
265L98.3Very high95Very high1 Ų140.7 Ų40.71%0.00520%0.201CC..Hα-helixtrans-69.6-30.9178-71.3166.1000112.9A261 I262 D263 G269 L270 I275 F276 P306 A309 A310 L313 F370A261-L265 VanDerWaalsContact O-CB 3.31Å; A261-L265 WeakPolarHBondContact O-CB 3.29Å; A261-L265 VanDerWaalsContact O-CD1 3.24Å; A261-L265 WeakPolarHBondContact O-CD1 3.4Å; A261-L265 WeakPolarHBondContact O-CG 3.24Å; A261-L265 PolarHBondContact O-N 2.92Å; I262-L265 PolarHBondContact O-N 3.18Å; D263-L265 VanDerWaalsContact C-N 3.34Å; D263-L265 PolarHBondContact O-N 3.4Å; L265-G269 CarbonylContact O-C 3.4Å; L265-G269 WeakPolarHBondContact O-CA 3.23Å; L265-G269 PolarHBondContact O-N 2.74Å; L265-L270 PolarHBondContact O-N 2.92Å; L265-L270 VanDerWaalsContact O-N 3.08Å; L265-I275 HydrophobicContact CD2-CD1 3.67Å; L265-I275 HydrophobicContact CD2-CG1 4.1Å; L265-F276 HydrophobicContact CD1-CE1 3.93Å; L265-F276 HydrophobicContact CD1-CZ 3.65Å; L265-P306 HydrophobicContact CD2-CB 4.36Å; L265-P306 VanDerWaalsContact CD2-O 3.31Å; L265-P306 WeakPolarHBondContact CD2-O 3.06Å; L265-A309 HydrophobicContact CD1-CB 4.23Å; L265-A309 HydrophobicContact CD2-CB 4.06Å; L265-A309 HydrophobicContact CG-CB 3.93Å; L265-A310 HydrophobicContact CD1-CB 4.4Å; L265-A310 HydrophobicContact CD2-CB 4.22Å; L265-L313 HydrophobicContact CD1-CD2 4.48Å; L265-F370 HydrophobicContact CB-CE2 4.17Å; L265-F370 HydrophobicContact CB-CZ 3.63Å; L265-F370 HydrophobicContact CD1-CE1 4.37Å; L265-F370 HydrophobicContact CD1-CZ 4.18Å
266R97.7Very high95.3Very high68 Ų6840.7 Ų40.726%0.25720%0.201SC..Hα-helixtrans-65.3-42.1169.4-78.4-176.7173.6124.26111.9I262 D263 Y264 L270 F370 E373I262-R266 WeakPolarHBondContact O-CG 3.41Å; I262-R266 PolarHBondContact O-N 3.25Å; D263-R266 PolarHBondContact O-N 3.35Å; D263-R266 IonicContact OD1-NH1 3.79Å; Y264-R266 VanDerWaalsContact C-N 3.35Å; R266-L270 WeakPolarHBondContact O-CD1 3.42Å; R266-F370 HydrophobicContact CG-CD2 3.98Å; R266-F370 HydrophobicContact CG-CE2 3.89Å; R266-E373 IonicContact CZ-OE2 2.68Å; R266-E373 IonicContact NE-OE1 3.05Å; R266-E373 IonicContact NE-OE2 2.63Å; R266-E373 PolarHBondContact NE-OE2 3.21Å; R266-E373 IonicContact NH2-OE2 3.54Å; R266-E373 PolarHBondContact NH2-OE2 3.45Å
267D96Very high95.5Very high104 Ų10440 Ų4056%0.55619%0.193SC*.Hα-helixtrans-69.3-44.8179.9-174.652.2000112.5D263 Y264D263-D267 PolarHBondContact O-N 2.9Å; D263-D267 VanDerWaalsContact O-N 3.08Å; Y264-D267 PolarHBondContact O-N 2.85Å
268R96.6Very high95.2Very high135 Ų13547 Ų4751%0.50922%0.219SC..Hα-helixtrans-124-14.9-168.4-57.2-55.4-156143.219.8116.1Y264 T272 P306Y264-R268 HydrophobicContact CD2-CG 4.18Å; Y264-R268 HydrophobicContact CE2-CB 4.05Å; Y264-R268 HydrophobicContact CE2-CG 3.66Å; Y264-R268 PolarHBondContact O-N 3.09Å; R268-T272 PolarHBondContact O-OG1 3.22Å; R268-P306 HydrophobicContact CB-CG 4.25Å
269G96.9Very high94.8Very high2 Ų252.4 Ų52.42%0.02126%0.257CS..THydrogen-bonded Turntrans-104.1-19.6-165.900000116.6L265 T271 T272L265-G269 CarbonylContact O-C 3.4Å; L265-G269 WeakPolarHBondContact O-CA 3.23Å; L265-G269 PolarHBondContact O-N 2.74Å; G269-T271 VanDerWaalsContact C-N 3.28Å; G269-T271 PolarHBondContact O-N 3.47Å; G269-T272 WeakPolarHBondContact CA-OG1 3.21Å; G269-T272 WeakPolarHBondContact O-CB 3.38Å; G269-T272 PolarHBondContact O-N 2.97Å; G269-T272 VanDerWaalsContact O-N 3.12Å; G269-T272 PolarHBondContact O-OG1 3.17Å
270L98.4Very high94.6Very high14 Ų1450.9 Ų50.97%0.07325%0.251CS..THydrogen-bonded Turntrans-60.8-33.3-170.8-69.5174.9000113.8L265 R266 F370 E373 V374 Y377 N381L265-L270 PolarHBondContact O-N 2.92Å; L265-L270 VanDerWaalsContact O-N 3.08Å; R266-L270 WeakPolarHBondContact O-CD1 3.42Å; L270-F370 HydrophobicContact CD2-CE2 4.13Å; L270-E373 HydrophobicContact CD2-CG 4.33Å; L270-V374 HydrophobicContact CD2-CG2 3.94Å; L270-Y377 HydrophobicContact CB-CD1 4.3Å; L270-Y377 HydrophobicContact CB-CD2 3.96Å; L270-Y377 HydrophobicContact CB-CE1 4.41Å; L270-Y377 HydrophobicContact CB-CE2 4.12Å; L270-Y377 HydrophobicContact CB-CG 4.07Å; L270-Y377 HydrophobicContact CD1-CD2 4.33Å; L270-Y377 HydrophobicContact CD1-CE2 3.73Å; L270-Y377 HydrophobicContact CD2-CD2 4.29Å; L270-Y377 HydrophobicContact CD2-CE2 4.39Å; L270-Y377 HydrophobicContact CG-CD2 4.42Å; L270-Y377 HydrophobicContact CG-CE2 4.3Å; L270-Y377 WeakPolarHBondContact O-CB 3.49Å; L270-N381 WeakPolarHBondContact O-CB 3.43Å; L270-N381 PolarHBondContact O-ND2 2.88Å
271T98.1Very high94.4Very high69 Ų6951.6 Ų51.642%0.42326%0.261SS..THydrogen-bonded Turntrans-100.3-2.8179.6570000113.4G269 E273 Y377G269-T271 VanDerWaalsContact C-N 3.28Å; G269-T271 PolarHBondContact O-N 3.47Å; T271-E273 PolarHBondContact O-N 2.88Å; T271-Y377 HydrophobicContact CG2-CD1 3.76Å; T271-Y377 HydrophobicContact CG2-CE1 4.23Å
272T97.8Very high93.5Very high31 Ų3155.9 Ų55.919%0.1928%0.283CS..  trans-68.2120.5-177.4-50.90000111.3R268 G269 G274 I275 P306 N381R268-T272 PolarHBondContact O-OG1 3.22Å; G269-T272 WeakPolarHBondContact CA-OG1 3.21Å; G269-T272 WeakPolarHBondContact O-CB 3.38Å; G269-T272 PolarHBondContact O-N 2.97Å; G269-T272 VanDerWaalsContact O-N 3.12Å; G269-T272 PolarHBondContact O-OG1 3.17Å; T272-G274 PolarHBondContact O-N 3.26Å; T272-I275 WeakPolarHBondContact O-CB 3.22Å; T272-I275 PolarHBondContact O-N 3.22Å; T272-P306 HydrophobicContact CG2-CB 4.21Å; T272-P306 HydrophobicContact CG2-CG 4.47Å; T272-N381 VanDerWaalsContact O-CB 3.26Å; T272-N381 WeakPolarHBondContact O-CB 3.4Å
273E97.1Very high92.7Very high132 Ų13258.8 Ų58.862%0.61730%0.296SS*.THydrogen-bonded Turntrans-58.5127.1178.9-169.9179148.500112.4T271 I275 H307 K382T271-E273 PolarHBondContact O-N 2.88Å; E273-I275 VanDerWaalsContact C-N 3.32Å; E273-I275 PolarHBondContact O-N 2.68Å; E273-H307 PolarHBondContact O-CE1 3.26Å; E273-K382 HydrophobicContact CG-CG 3.95Å
274G92.6Very high92.3Very high8 Ų857.3 Ų57.38%0.08229%0.286CS..THydrogen-bonded Turntrans70.125.4178.400000114T272 R277 R278 N381T272-G274 PolarHBondContact O-N 3.26Å; G274-R277 WeakPolarHBondContact O-CA 3.46Å; G274-R277 WeakPolarHBondContact O-CB 3.47Å; G274-R277 PolarHBondContact O-N 2.86Å; G274-R278 PolarHBondContact O-N 3.3Å; G274-N381 PolarHBondContact N-O 3.05Å
275I97.8Very high91.8Very high1 Ų156.9 Ų56.91%0.00529%0.285CS..THydrogen-bonded Turntrans-53.2139.1171.8-163.461000110.8L265 T272 E273 R277 P306 A310 V374 N381 M383L265-I275 HydrophobicContact CD2-CD1 3.67Å; L265-I275 HydrophobicContact CD2-CG1 4.1Å; T272-I275 WeakPolarHBondContact O-CB 3.22Å; T272-I275 PolarHBondContact O-N 3.22Å; E273-I275 VanDerWaalsContact C-N 3.32Å; E273-I275 PolarHBondContact O-N 2.68Å; I275-R277 PolarHBondContact O-N 2.76Å; I275-P306 HydrophobicContact CD1-CB 3.9Å; I275-P306 WeakPolarHBondContact CD1-O 3.34Å; I275-A310 HydrophobicContact CD1-CB 3.66Å; I275-A310 HydrophobicContact CG1-CB 4.15Å; I275-V374 HydrophobicContact CG2-CG1 4.07Å; I275-N381 HydrophobicContact CG2-CB 4.13Å; I275-M383 HydrophobicContact CG2-CG 4.01Å; I275-M383 WeakPolarHBondContact O-CE 3.5Å; I275-M383 VanDerWaalsContact O-CG 3.23Å; I275-M383 WeakPolarHBondContact O-CG 3.47Å
276F96.9Very high91.1Very high1 Ų160.1 Ų60.10%0.00430%0.297CS..THydrogen-bonded Turntrans61.5-13.4-167.5-52.3-72.9000117.3L265 A310 L313 K314 F370 L371 V374 L388 V391 F392L265-F276 HydrophobicContact CD1-CE1 3.93Å; L265-F276 HydrophobicContact CD1-CZ 3.65Å; F276-A310 HydrophobicContact CD1-CB 3.5Å; F276-A310 VanDerWaalsContact CD1-CB 3.5Å; F276-A310 HydrophobicContact CE1-CB 3.56Å; F276-A310 HydrophobicContact CG-CB 4.11Å; F276-A310 HydrophobicContact CZ-CB 4.22Å; F276-L313 HydrophobicContact CE1-CD2 3.99Å; F276-L313 HydrophobicContact CZ-CD2 4.4Å; F276-K314 HydrophobicContact CB-CD 4.44Å; F276-K314 HydrophobicContact CD1-CD 4.37Å; F276-K314 HydrophobicContact CD1-CG 4.31Å; F276-K314 WeakPolarHBondContact O-CE 3.23Å; F276-K314 PolarHBondContact O-NZ 3.27Å; F276-F370 HydrophobicContact CE2-CE1 4.07Å; F276-F370 HydrophobicContact CE2-CZ 4.36Å; F276-F370 AromaticContact CZ-CE1 3.58Å; F276-F370 HydrophobicContact CZ-CE1 3.58Å; F276-F370 HydrophobicContact CZ-CZ 4.03Å; F276-L371 HydrophobicContact CE2-CD2 4.25Å; F276-L371 HydrophobicContact CZ-CD2 4.48Å; F276-V374 HydrophobicContact CE2-CG1 4.45Å; F276-V374 HydrophobicContact CE2-CG2 4.11Å; F276-L388 HydrophobicContact CB-CD2 4.36Å; F276-L388 HydrophobicContact CD2-CD2 3.7Å; F276-L388 HydrophobicContact CG-CD2 4.34Å; F276-V391 HydrophobicContact CB-CG2 3.85Å; F276-F392 HydrophobicContact CB-CE2 3.96Å; F276-F392 AromaticContact CD1-CE2 3.49Å; F276-F392 HydrophobicContact CD1-CE2 3.49Å; F276-F392 VanDerWaalsContact CD1-CE2 3.49Å; F276-F392 AromaticContact CD1-CZ 3.42Å; F276-F392 HydrophobicContact CD1-CZ 3.42Å; F276-F392 VanDerWaalsContact CD1-CZ 3.42Å; F276-F392 HydrophobicContact CD2-CE2 4.01Å; F276-F392 HydrophobicContact CE1-CE2 4.02Å; F276-F392 AromaticContact CE1-CZ 3.6Å; F276-F392 HydrophobicContact CE1-CZ 3.6Å; F276-F392 HydrophobicContact CE2-CE2 4.47Å; F276-F392 AromaticContact CG-CE2 3.52Å; F276-F392 HydrophobicContact CG-CE2 3.52Å; F276-F392 AromaticContact CG-CZ 3.97Å; F276-F392 HydrophobicContact CG-CZ 3.97Å; F276-F392 HydrophobicContact CZ-CE2 4.49Å; F276-F392 HydrophobicContact CZ-CZ 4.27Å
277R92.5Very high90.4Very high64 Ų6460.1 Ų60.124%0.24230%0.302CS..THydrogen-bonded Turntrans-90.7-39.9177.5-179.6-177.2175.9169.35.2112.8A18 K20 G274 I275 M383A18-R277 PolarHBondContact O-NH2 3.21Å; K20-R277 VanDerWaalsContact CA-NH2 3.27Å; K20-R277 HydrophobicContact CD-CG 4.27Å; K20-R277 PolarHBondContact NZ-O 2.76Å; G274-R277 WeakPolarHBondContact O-CA 3.46Å; G274-R277 WeakPolarHBondContact O-CB 3.47Å; G274-R277 PolarHBondContact O-N 2.86Å; I275-R277 PolarHBondContact O-N 2.76Å; R277-M383 HydrophobicContact CB-CE 4.2Å; R277-M383 HydrophobicContact CB-SD 3.9Å
278R85.2Confident90Very high149 Ų14955.2 Ų55.256%0.56228%0.275SS*.SBendtrans-77.3148.1-176.6-65.5-177.268.3-163.19.1111.7G274 H307G274-R278 PolarHBondContact O-N 3.3Å; R278-H307 WeakPolarHBondContact CD-NE2 3.32Å; R278-H307 PolarHBondContact NH1-NE2 2.87Å
279S80.9Confident89.7Confident114 Ų11449 Ų4980%0.79725%0.252SS*.  trans-92.1159177.5-58.50000110.7
280V86Confident89.1Confident25 Ų2554.1 Ų54.115%0.15227%0.272CS..  trans-123.6173175.9-60.80000111.3L282 L285 H307 L308 V311V280-L282 PolarHBondContact O-N 2.97Å; V280-L285 HydrophobicContact CG2-CB 4.34Å; V280-H307 HydrophobicContact CG1-CB 3.56Å; V280-H307 WeakPolarHBondContact CG1-O 3.3Å; V280-L308 HydrophobicContact CG1-CB 4.41Å; V280-L308 HydrophobicContact CG2-CD1 4.15Å; V280-V311 HydrophobicContact CG1-CG2 4.17Å; V280-V311 HydrophobicContact CG2-CB 3.84Å; V280-V311 HydrophobicContact CG2-CG1 3.9Å; V280-V311 HydrophobicContact CG2-CG2 3.99Å
281S87.3Confident88.4Confident66 Ų6656 Ų5646%0.46228%0.281SS..  trans-58.2119.1170.4176.70000110.4K283 Q284 L285S281-K283 PolarHBondContact O-N 2.9Å; S281-K283 PolarHBondContact OG-N 2.79Å; S281-Q284 PolarHBondContact O-N 2.82Å; S281-L285 PolarHBondContact O-N 2.91Å
282L78.5Confident87.9Confident89 Ų8953 Ų5347%0.46626%0.262SS..Hα-helixtrans-59.2-34176.3-69.8179.2000111.5V280 L285 R286V280-L282 PolarHBondContact O-N 2.97Å; L282-L285 HydrophobicContact CD2-CD2 4.5Å; L282-L285 PolarHBondContact O-N 2.82Å; L282-R286 VanDerWaalsContact O-CG 3.29Å; L282-R286 WeakPolarHBondContact O-CG 3.48Å; L282-R286 PolarHBondContact O-N 2.89Å
283K81.5Confident87.4Confident62 Ų6252.2 Ų52.227%0.2726%0.257SS..Hα-helixtrans-58.8-56.5175-172.8-149.7-168.9-179.10110.9D170 Q171 S281 L285 R286 D287D170-K283 WeakPolarHBondContact O-CG 3.1Å; D170-K283 WeakPolarHBondContact OD2-CE 3.45Å; D170-K283 IonicContact OD2-NZ 2.82Å; D170-K283 PolarHBondContact OD2-NZ 3.16Å; Q171-K283 HydrophobicContact CG-CB 4.34Å; Q171-K283 HydrophobicContact CG-CD 3.74Å; Q171-K283 HydrophobicContact CG-CG 3.99Å; S281-K283 PolarHBondContact O-N 2.9Å; S281-K283 PolarHBondContact OG-N 2.79Å; K283-L285 VanDerWaalsContact C-N 3.26Å; K283-L285 PolarHBondContact O-N 2.75Å; K283-R286 PolarHBondContact O-N 2.74Å; K283-D287 VanDerWaalsContact O-CG 3.31Å; K283-D287 PolarHBondContact O-N 2.85Å
284Q84.2Confident86.7Confident57 Ų5748.5 Ų48.527%0.26624%0.242SC..Hα-helixtrans-58.8-40.8-178.1-170.1-17829.200111.3S281 D287 V288 Y303 L308S281-Q284 PolarHBondContact O-N 2.82Å; Q284-D287 PolarHBondContact O-N 2.65Å; Q284-V288 VanDerWaalsContact O-CG2 3.22Å; Q284-V288 WeakPolarHBondContact O-CG2 3.21Å; Q284-V288 PolarHBondContact O-N 2.99Å; Q284-V288 VanDerWaalsContact O-N 3.08Å; Q284-Y303 HydrophobicContact CG-CD1 4.2Å; Q284-Y303 HydrophobicContact CG-CE1 4.43Å; Q284-L308 HydrophobicContact CB-CD1 4.48Å; Q284-L308 HydrophobicContact CG-CD1 4.07Å; Q284-L308 HydrophobicContact CG-CD2 3.89Å
285L87Confident86.1Confident3 Ų350 Ų502%0.01626%0.257CS..Hα-helixtrans-58.6-48.2172.617766.9000111.9V280 S281 L282 K283 V288 Q289 L308 V311 L312V280-L285 HydrophobicContact CG2-CB 4.34Å; S281-L285 PolarHBondContact O-N 2.91Å; L282-L285 HydrophobicContact CD2-CD2 4.5Å; L282-L285 PolarHBondContact O-N 2.82Å; K283-L285 VanDerWaalsContact C-N 3.26Å; K283-L285 PolarHBondContact O-N 2.75Å; L285-V288 PolarHBondContact O-N 2.64Å; L285-Q289 HydrophobicContact CD1-CG 4.45Å; L285-Q289 VanDerWaalsContact O-CG 3.29Å; L285-Q289 WeakPolarHBondContact O-CG 3.43Å; L285-Q289 PolarHBondContact O-N 3.44Å; L285-L308 HydrophobicContact CB-CD1 4.36Å; L285-V311 HydrophobicContact CD1-CG1 4.11Å; L285-V311 HydrophobicContact CD2-CG1 3.69Å; L285-V311 HydrophobicContact CG-CG1 4.47Å; L285-L312 HydrophobicContact CD1-CB 4.1Å; L285-L312 HydrophobicContact CD1-CD1 3.85Å
286R84.1Confident85.2Confident69 Ų6955.3 Ų55.326%0.2628%0.282SS..Hα-helixtrans-66.6-37.2-179.9-67.9-47.9177.3-178-8.5112.5L282 K283 Q289 Y290 E319L282-R286 VanDerWaalsContact O-CG 3.29Å; L282-R286 WeakPolarHBondContact O-CG 3.48Å; L282-R286 PolarHBondContact O-N 2.89Å; K283-R286 PolarHBondContact O-N 2.74Å; R286-Q289 PolarHBondContact O-N 3.45Å; R286-Y290 WeakPolarHBondContact O-CB 3.47Å; R286-Y290 PolarHBondContact O-N 3.15Å; R286-E319 IonicContact CZ-OE1 3.77Å; R286-E319 IonicContact NH1-OE1 2.78Å; R286-E319 PolarHBondContact NH1-OE1 3.05Å; R286-E319 IonicContact NH1-OE2 3.8Å; R286-E319 IonicContact NH2-OE1 2.85Å; R286-E319 PolarHBondContact NH2-OE1 3Å; R286-E319 VanDerWaalsContact NH2-OE1 3.12Å
287D84.1Confident84.4Confident68 Ų6861.9 Ų61.936%0.36432%0.322SS..Hα-helixtrans-60.6-46.4175.3-66.8-21.7000110.3K283 Q284 Y290 L291K283-D287 VanDerWaalsContact O-CG 3.31Å; K283-D287 PolarHBondContact O-N 2.85Å; Q284-D287 PolarHBondContact O-N 2.65Å; D287-Y290 WeakPolarHBondContact O-CB 3.37Å; D287-Y290 PolarHBondContact O-N 2.91Å; D287-L291 WeakPolarHBondContact O-CG 3.4Å; D287-L291 PolarHBondContact O-N 2.82Å; D287-L291 VanDerWaalsContact O-N 3.1Å
288V86.1Confident84Confident0 Ų059.7 Ų59.70%032%0.316CS..Hα-helixtrans-63.6-45.8176.51760000111.5Q284 L285 Y290 L291 Y292 V298 L300 Y303 L308 L312Q284-V288 VanDerWaalsContact O-CG2 3.22Å; Q284-V288 WeakPolarHBondContact O-CG2 3.21Å; Q284-V288 PolarHBondContact O-N 2.99Å; Q284-V288 VanDerWaalsContact O-N 3.08Å; L285-V288 PolarHBondContact O-N 2.64Å; V288-Y290 VanDerWaalsContact C-N 3.26Å; V288-Y290 PolarHBondContact O-N 3.46Å; V288-L291 WeakPolarHBondContact O-CB 3.49Å; V288-L291 PolarHBondContact O-N 2.92Å; V288-L291 VanDerWaalsContact O-N 3.17Å; V288-Y292 HydrophobicContact CG1-CD2 3.88Å; V288-Y292 HydrophobicContact CG1-CE2 3.6Å; V288-Y292 VanDerWaalsContact O-CD2 3.28Å; V288-Y292 WeakPolarHBondContact O-CD2 3.45Å; V288-Y292 PolarHBondContact O-N 2.78Å; V288-Y292 VanDerWaalsContact O-N 3.15Å; V288-V298 HydrophobicContact CG1-CG1 4.18Å; V288-L300 HydrophobicContact CG1-CD2 4.26Å; V288-Y303 HydrophobicContact CG2-CD1 4.31Å; V288-Y303 HydrophobicContact CG2-CE1 3.63Å; V288-Y303 HydrophobicContact CG2-CE2 4Å; V288-Y303 VanDerWaalsContact CG2-CZ 3.45Å; V288-L308 HydrophobicContact CG2-CD1 4.41Å; V288-L308 HydrophobicContact CG2-CD2 4.04Å; V288-L312 HydrophobicContact CG1-CD1 3.98Å; V288-L312 HydrophobicContact CG1-CD2 3.81Å
289Q90.1Very high84.1Confident5 Ų555.1 Ų55.12%0.02330%0.303CS..Hα-helixtrans-61.1-36.4176.6-71.5-175.2-44.400112.5F238 L285 R286 Y292 N293 L312 S315 E319F238-Q289 HydrophobicContact CD1-CG 4.21Å; F238-Q289 HydrophobicContact CD2-CB 4.01Å; F238-Q289 HydrophobicContact CD2-CG 4.03Å; F238-Q289 HydrophobicContact CE1-CG 3.88Å; F238-Q289 HydrophobicContact CE2-CB 3.96Å; F238-Q289 HydrophobicContact CE2-CG 3.71Å; F238-Q289 HydrophobicContact CG-CG 4.29Å; F238-Q289 HydrophobicContact CZ-CB 4.4Å; F238-Q289 HydrophobicContact CZ-CG 3.64Å; L285-Q289 HydrophobicContact CD1-CG 4.45Å; L285-Q289 VanDerWaalsContact O-CG 3.29Å; L285-Q289 WeakPolarHBondContact O-CG 3.43Å; L285-Q289 PolarHBondContact O-N 3.44Å; R286-Q289 PolarHBondContact O-N 3.45Å; Q289-Y292 PolarHBondContact O-N 2.91Å; Q289-N293 WeakPolarHBondContact O-CB 3.29Å; Q289-N293 VanDerWaalsContact O-CG 3.24Å; Q289-N293 PolarHBondContact O-N 3.14Å; Q289-N293 PolarHBondContact O-ND2 3.39Å; Q289-N293 VanDerWaalsContact O-ND2 3.15Å; Q289-L312 HydrophobicContact CG-CD1 3.71Å; Q289-S315 PolarHBondContact NE2-OG 2.64Å; Q289-E319 PolarHBondContact NE2-OE2 3.29Å
290Y84.3Confident84.5Confident109 Ų10950 Ų5043%0.42727%0.266SS..Hα-helixtrans-61.7-46.1174.8177.5-91.8000110.6R286 D287 V288 Y292 N293 N294R286-Y290 WeakPolarHBondContact O-CB 3.47Å; R286-Y290 PolarHBondContact O-N 3.15Å; D287-Y290 WeakPolarHBondContact O-CB 3.37Å; D287-Y290 PolarHBondContact O-N 2.91Å; V288-Y290 VanDerWaalsContact C-N 3.26Å; V288-Y290 PolarHBondContact O-N 3.46Å; Y290-Y292 PolarHBondContact O-N 2.89Å; Y290-N293 PolarHBondContact O-N 3.12Å; Y290-N294 WeakPolarHBondContact CD1-ND2 3.45Å; Y290-N294 WeakPolarHBondContact CD2-ND2 3.37Å; Y290-N294 WeakPolarHBondContact CE1-ND2 3.32Å; Y290-N294 WeakPolarHBondContact CE2-ND2 3.31Å; Y290-N294 PolarHBondContact O-N 3.13Å; Y290-N294 VanDerWaalsContact O-N 3.11Å; Y290-N294 PolarHBondContact O-ND2 3.05Å
291L85.2Confident84.7Confident53 Ų5356.1 Ų56.128%0.27729%0.287SS..Hα-helixtrans-56.9-50.5176.7-64.9175.7000111.8D287 V288 N293 N294 G295 E296 V298 Y303D287-L291 WeakPolarHBondContact O-CG 3.4Å; D287-L291 PolarHBondContact O-N 2.82Å; D287-L291 VanDerWaalsContact O-N 3.1Å; V288-L291 WeakPolarHBondContact O-CB 3.49Å; V288-L291 PolarHBondContact O-N 2.92Å; V288-L291 VanDerWaalsContact O-N 3.17Å; L291-N293 VanDerWaalsContact C-N 3.34Å; L291-N293 PolarHBondContact O-N 3.13Å; L291-N294 CarbonylContact O-C 3.55Å; L291-N294 PolarHBondContact O-N 3.46Å; L291-N294 VanDerWaalsContact O-N 3.16Å; L291-G295 PolarHBondContact O-N 3.35Å; L291-E296 HydrophobicContact CB-CB 4.07Å; L291-E296 HydrophobicContact CD2-CB 4.09Å; L291-E296 HydrophobicContact CD2-CG 4.08Å; L291-E296 WeakPolarHBondContact O-CB 3.46Å; L291-E296 PolarHBondContact O-N 3.3Å; L291-V298 HydrophobicContact CB-CG2 3.5Å; L291-V298 HydrophobicContact CD1-CG2 4.17Å; L291-V298 HydrophobicContact CG-CG2 4.49Å; L291-Y303 WeakPolarHBondContact CD1-OH 3.37Å
292Y87.7Confident84.7Confident6 Ų659.3 Ų59.32%0.02430%0.299CS..Hα-helixtrans-58.4-42.6176.8-79.7-71.5000113.1F238 I256 V257 D260 V288 Q289 Y290 N294 G295 V298 L312F238-Y292 HydrophobicContact CE2-CD2 4.41Å; F238-Y292 HydrophobicContact CE2-CG 4.47Å; I256-Y292 HydrophobicContact CG2-CD1 4.29Å; I256-Y292 HydrophobicContact CG2-CE1 4.48Å; V257-Y292 HydrophobicContact CB-CD1 3.87Å; V257-Y292 HydrophobicContact CB-CD2 4.42Å; V257-Y292 HydrophobicContact CB-CE1 3.85Å; V257-Y292 HydrophobicContact CB-CE2 4.43Å; V257-Y292 HydrophobicContact CB-CG 4.15Å; V257-Y292 HydrophobicContact CG2-CD1 4.07Å; V257-Y292 HydrophobicContact CG2-CD2 3.72Å; V257-Y292 HydrophobicContact CG2-CE1 3.97Å; V257-Y292 HydrophobicContact CG2-CE2 3.65Å; V257-Y292 HydrophobicContact CG2-CG 3.95Å; D260-Y292 WeakPolarHBondContact CB-OH 3.49Å; D260-Y292 WeakPolarHBondContact OD2-CE1 3.37Å; D260-Y292 PolarHBondContact OD2-OH 3.12Å; V288-Y292 HydrophobicContact CG1-CD2 3.88Å; V288-Y292 HydrophobicContact CG1-CE2 3.6Å; V288-Y292 VanDerWaalsContact O-CD2 3.28Å; V288-Y292 WeakPolarHBondContact O-CD2 3.45Å; V288-Y292 PolarHBondContact O-N 2.78Å; V288-Y292 VanDerWaalsContact O-N 3.15Å; Q289-Y292 PolarHBondContact O-N 2.91Å; Y290-Y292 PolarHBondContact O-N 2.89Å; Y292-N294 PolarHBondContact O-N 3.38Å; Y292-G295 PolarHBondContact O-N 2.68Å; Y292-G295 VanDerWaalsContact O-N 3.09Å; Y292-V298 HydrophobicContact CD1-CG2 4.27Å; Y292-V298 HydrophobicContact CD2-CB 4.45Å; Y292-V298 HydrophobicContact CD2-CG2 3.97Å; Y292-V298 HydrophobicContact CE1-CB 4.03Å; Y292-V298 HydrophobicContact CE1-CG2 4.18Å; Y292-V298 HydrophobicContact CE2-CB 3.82Å; Y292-V298 HydrophobicContact CE2-CG1 3.69Å; Y292-V298 HydrophobicContact CE2-CG2 3.84Å; Y292-V298 HydrophobicContact CG-CG2 4.17Å; Y292-L312 HydrophobicContact CD2-CD2 4.39Å; Y292-L312 HydrophobicContact CE2-CD2 3.68Å
293N86.9Confident85.3Confident16 Ų1658.2 Ų58.29%0.08629%0.289CS..Hα-helixtrans-68.1-23.1-179.4-74.5-28.4000113.8Q235 Q236 Q237 F238 Q289 Y290 L291 G295Q235-N293 CarbonylContact C-O 3.58Å; Q236-N293 VanDerWaalsContact CD-CG 3.47Å; Q236-N293 PolarHBondContact NE2-ND2 3.02Å; Q236-N293 VanDerWaalsContact NE2-ND2 3.19Å; Q236-N293 PolarHBondContact NE2-OD1 3.17Å; Q236-N293 VanDerWaalsContact NE2-OD1 3.14Å; Q237-N293 PolarHBondContact N-OD1 3.15Å; F238-N293 PolarHBondContact N-OD1 2.79Å; Q289-N293 WeakPolarHBondContact O-CB 3.29Å; Q289-N293 VanDerWaalsContact O-CG 3.24Å; Q289-N293 PolarHBondContact O-N 3.14Å; Q289-N293 PolarHBondContact O-ND2 3.39Å; Q289-N293 VanDerWaalsContact O-ND2 3.15Å; Y290-N293 PolarHBondContact O-N 3.12Å; L291-N293 VanDerWaalsContact C-N 3.34Å; L291-N293 PolarHBondContact O-N 3.13Å; N293-G295 VanDerWaalsContact C-N 3.35Å
294N82.8Confident85.8Confident54 Ų5460.6 Ų60.629%0.28931%0.305SS..THydrogen-bonded Turntrans-9714.6173.9-63.3-77000112.2Q235 Y290 L291 Y292 E296Q235-N294 PolarHBondContact OE1-O 3.38Å; Y290-N294 WeakPolarHBondContact CD1-ND2 3.45Å; Y290-N294 WeakPolarHBondContact CD2-ND2 3.37Å; Y290-N294 WeakPolarHBondContact CE1-ND2 3.32Å; Y290-N294 WeakPolarHBondContact CE2-ND2 3.31Å; Y290-N294 PolarHBondContact O-N 3.13Å; Y290-N294 VanDerWaalsContact O-N 3.11Å; Y290-N294 PolarHBondContact O-ND2 3.05Å; L291-N294 CarbonylContact O-C 3.55Å; L291-N294 PolarHBondContact O-N 3.46Å; L291-N294 VanDerWaalsContact O-N 3.16Å; Y292-N294 PolarHBondContact O-N 3.38Å; N294-E296 HydrophobicContact CB-CG 4.2Å; N294-E296 PolarHBondContact O-N 3.04Å; N294-E296 VanDerWaalsContact O-N 3.08Å
295G78.6Confident86.4Confident40 Ų4059.7 Ų59.741%0.41230%0.302SS..THydrogen-bonded Turntrans60.520.4178.700000114.8L291 Y292 N293L291-G295 PolarHBondContact O-N 3.35Å; Y292-G295 PolarHBondContact O-N 2.68Å; Y292-G295 VanDerWaalsContact O-N 3.09Å; N293-G295 VanDerWaalsContact C-N 3.35Å
296E80.2Confident86.9Confident112 Ų11260.5 Ų60.552%0.52331%0.307SS..  trans-70.3149.5175.2-62.4-70178.600109.6L291 N294 V298L291-E296 HydrophobicContact CB-CB 4.07Å; L291-E296 HydrophobicContact CD2-CB 4.09Å; L291-E296 HydrophobicContact CD2-CG 4.08Å; L291-E296 WeakPolarHBondContact O-CB 3.46Å; L291-E296 PolarHBondContact O-N 3.3Å; N294-E296 HydrophobicContact CB-CG 4.2Å; N294-E296 PolarHBondContact O-N 3.04Å; N294-E296 VanDerWaalsContact O-N 3.08Å; E296-V298 PolarHBondContact O-N 3.22Å
297T79.8Confident87.5Confident138 Ų13858 Ų5885%0.84730%0.298SS*.  trans-72.2122.8173.854.80000109.7
298V83.1Confident88.1Confident19 Ų1954.9 Ų54.912%0.11528%0.281CS..  trans-112.6121.6178.1-179.70000109.2V288 L291 Y292 E296 L300 Y303V288-V298 HydrophobicContact CG1-CG1 4.18Å; L291-V298 HydrophobicContact CB-CG2 3.5Å; L291-V298 HydrophobicContact CD1-CG2 4.17Å; L291-V298 HydrophobicContact CG-CG2 4.49Å; Y292-V298 HydrophobicContact CD1-CG2 4.27Å; Y292-V298 HydrophobicContact CD2-CB 4.45Å; Y292-V298 HydrophobicContact CD2-CG2 3.97Å; Y292-V298 HydrophobicContact CE1-CB 4.03Å; Y292-V298 HydrophobicContact CE1-CG2 4.18Å; Y292-V298 HydrophobicContact CE2-CB 3.82Å; Y292-V298 HydrophobicContact CE2-CG1 3.69Å; Y292-V298 HydrophobicContact CE2-CG2 3.84Å; Y292-V298 HydrophobicContact CG-CG2 4.17Å; E296-V298 PolarHBondContact O-N 3.22Å; V298-L300 HydrophobicContact CG1-CD2 4.09Å; V298-L300 HydrophobicContact CG1-CG 4.46Å; V298-Y303 HydrophobicContact CG1-CE2 4.27Å
299D87Confident88.6Confident53 Ų5354.9 Ų54.928%0.28328%0.281SS..  trans-105.2109.7166.8-167.7-17.9000109.4R301 D302D299-R301 VanDerWaalsContact CG-NE 3.34Å; D299-R301 PolarHBondContact O-N 3.45Å; D299-R301 VanDerWaalsContact O-N 3.15Å; D299-R301 WeakPolarHBondContact OD1-CB 3.49Å; D299-R301 WeakPolarHBondContact OD1-CG 3.42Å; D299-R301 IonicContact OD1-CZ 3.22Å; D299-R301 PolarHBondContact OD1-N 3.12Å; D299-R301 IonicContact OD1-NE 3.04Å; D299-R301 PolarHBondContact OD1-NE 3.14Å; D299-R301 IonicContact OD1-NH2 2.67Å; D299-R301 IonicContact OD2-CZ 2.68Å; D299-R301 VanDerWaalsContact OD2-CZ 3.22Å; D299-R301 IonicContact OD2-NE 2.83Å; D299-R301 PolarHBondContact OD2-NE 2.84Å; D299-R301 IonicContact OD2-NH2 3.58Å; D299-R301 PolarHBondContact OD2-NH2 3.35Å; D299-D302 WeakPolarHBondContact O-CB 3.45Å; D299-D302 PolarHBondContact O-N 3.32Å; D299-D302 VanDerWaalsContact O-N 3.11Å
300L89.2Confident89Confident6 Ų654.6 Ų54.63%0.03128%0.28CS..G310 helixtrans-65.2-17.4-179.7-67.4174.1000112.8D260 A261 Y264 V288 V298 D302 Y303 A309 L312D260-L300 HydrophobicContact CB-CD1 4.36Å; A261-L300 HydrophobicContact CB-CD1 4.17Å; Y264-L300 HydrophobicContact CD1-CB 3.93Å; Y264-L300 HydrophobicContact CD1-CD1 4.5Å; Y264-L300 HydrophobicContact CD2-CB 4.09Å; Y264-L300 HydrophobicContact CE1-CB 4.43Å; Y264-L300 HydrophobicContact CG-CB 3.72Å; V288-L300 HydrophobicContact CG1-CD2 4.26Å; V298-L300 HydrophobicContact CG1-CD2 4.09Å; V298-L300 HydrophobicContact CG1-CG 4.46Å; L300-D302 VanDerWaalsContact C-N 3.25Å; L300-D302 PolarHBondContact O-N 3.07Å; L300-Y303 HydrophobicContact CD2-CD2 4.5Å; L300-Y303 PolarHBondContact O-N 3.3Å; L300-A309 HydrophobicContact CD1-CB 3.94Å; L300-L312 HydrophobicContact CD1-CD2 4.47Å; L300-L312 HydrophobicContact CD2-CD2 4.11Å
301R90.4Very high89.4Confident153 Ų15350.3 Ų50.358%0.57727%0.265SS*.G310 helixtrans-67.9-25.4174.8-61170.7-70.5-169.2-1112.5Y264 D299 Y303 D304Y264-R301 HydrophobicContact CD2-CG 3.72Å; Y264-R301 HydrophobicContact CE2-CB 4.37Å; Y264-R301 HydrophobicContact CE2-CG 3.88Å; D299-R301 VanDerWaalsContact CG-NE 3.34Å; D299-R301 PolarHBondContact O-N 3.45Å; D299-R301 VanDerWaalsContact O-N 3.15Å; D299-R301 WeakPolarHBondContact OD1-CB 3.49Å; D299-R301 WeakPolarHBondContact OD1-CG 3.42Å; D299-R301 IonicContact OD1-CZ 3.22Å; D299-R301 PolarHBondContact OD1-N 3.12Å; D299-R301 IonicContact OD1-NE 3.04Å; D299-R301 PolarHBondContact OD1-NE 3.14Å; D299-R301 IonicContact OD1-NH2 2.67Å; D299-R301 IonicContact OD2-CZ 2.68Å; D299-R301 VanDerWaalsContact OD2-CZ 3.22Å; D299-R301 IonicContact OD2-NE 2.83Å; D299-R301 PolarHBondContact OD2-NE 2.84Å; D299-R301 IonicContact OD2-NH2 3.58Å; D299-R301 PolarHBondContact OD2-NH2 3.35Å; R301-Y303 PolarHBondContact O-N 3.47Å; R301-D304 PolarHBondContact O-N 3.33Å
302D88.5Confident89.9Confident133 Ų13347.8 Ų47.871%0.71125%0.252SS*.G310 helixtrans-67.7-22.1178-68.6-19.1000112.6D299 L300D299-D302 WeakPolarHBondContact O-CB 3.45Å; D299-D302 PolarHBondContact O-N 3.32Å; D299-D302 VanDerWaalsContact O-N 3.11Å; L300-D302 VanDerWaalsContact C-N 3.25Å; L300-D302 PolarHBondContact O-N 3.07Å
303Y91.3Very high90.3Very high66 Ų6647.5 Ų47.526%0.25925%0.251SS..G310 helixtrans-90.3-21.9178.5-60.5-90.4000113Q284 V288 L291 V298 L300 R301 D305 L308Q284-Y303 HydrophobicContact CG-CD1 4.2Å; Q284-Y303 HydrophobicContact CG-CE1 4.43Å; V288-Y303 HydrophobicContact CG2-CD1 4.31Å; V288-Y303 HydrophobicContact CG2-CE1 3.63Å; V288-Y303 HydrophobicContact CG2-CE2 4Å; V288-Y303 VanDerWaalsContact CG2-CZ 3.45Å; L291-Y303 WeakPolarHBondContact CD1-OH 3.37Å; V298-Y303 HydrophobicContact CG1-CE2 4.27Å; L300-Y303 HydrophobicContact CD2-CD2 4.5Å; L300-Y303 PolarHBondContact O-N 3.3Å; R301-Y303 PolarHBondContact O-N 3.47Å; Y303-D305 PolarHBondContact O-N 2.81Å; Y303-D305 VanDerWaalsContact O-N 3.13Å; Y303-L308 HydrophobicContact CD1-CD2 3.64Å; Y303-L308 HydrophobicContact CD2-CD2 4.27Å; Y303-L308 HydrophobicContact CE1-CD2 4.38Å; Y303-L308 HydrophobicContact CG-CD2 3.57Å
304D92Very high90.7Very high113 Ų11348.1 Ų48.160%0.60425%0.253SS*.THydrogen-bonded Turntrans45.638.2-176.5-158.133.3000114.3Y264 R301Y264-D304 WeakPolarHBondContact OH-CA 3.33Å; R301-D304 PolarHBondContact O-N 3.33Å
305D95.1Very high91.1Very high38 Ų3845.5 Ų45.520%0.20324%0.239CC..  trans-129.999.2179.6-175.81.8000111.7Y264 Y303 H307 L308Y264-D305 PolarHBondContact OH-N 3.4Å; Y264-D305 VanDerWaalsContact OH-N 3.09Å; Y303-D305 PolarHBondContact O-N 2.81Å; Y303-D305 VanDerWaalsContact O-N 3.13Å; D305-H307 PolarHBondContact O-N 2.98Å; D305-H307 WeakPolarHBondContact OD1-CA 3.46Å; D305-H307 VanDerWaalsContact OD1-CB 3.3Å; D305-H307 WeakPolarHBondContact OD1-CB 3.42Å; D305-H307 IonicContact OD1-CD2 3.64Å; D305-H307 IonicContact OD1-CG 3.6Å; D305-H307 PolarHBondContact OD1-N 2.86Å; D305-L308 HydrophobicContact CB-CB 3.94Å; D305-L308 WeakPolarHBondContact O-CB 3.2Å; D305-L308 PolarHBondContact O-N 3.41Å; D305-L308 PolarHBondContact OD1-N 3.31Å
306P97.6Very high91.8Very high20 Ų2043.7 Ų43.713%0.1322%0.22CC..Hα-helixtrans-56.1-31.6173.1-27.436.3000114L265 R268 T272 I275 L308 A309 A310L265-P306 HydrophobicContact CD2-CB 4.36Å; L265-P306 VanDerWaalsContact CD2-O 3.31Å; L265-P306 WeakPolarHBondContact CD2-O 3.06Å; R268-P306 HydrophobicContact CB-CG 4.25Å; T272-P306 HydrophobicContact CG2-CB 4.21Å; T272-P306 HydrophobicContact CG2-CG 4.47Å; I275-P306 HydrophobicContact CD1-CB 3.9Å; I275-P306 WeakPolarHBondContact CD1-O 3.34Å; P306-L308 VanDerWaalsContact C-N 3.3Å; P306-L308 PolarHBondContact O-N 3Å; P306-A309 PolarHBondContact O-N 3.04Å; P306-A310 WeakPolarHBondContact O-CB 3.19Å; P306-A310 PolarHBondContact O-N 3.35Å
307H97.6Very high92.5Very high17 Ų1738.3 Ų38.38%0.07920%0.195CC..Hα-helixtrans-69.5-30.4178.6-59.8-53.2000111.8E273 R278 V280 D305 A310 V311E273-H307 PolarHBondContact O-CE1 3.26Å; R278-H307 WeakPolarHBondContact CD-NE2 3.32Å; R278-H307 PolarHBondContact NH1-NE2 2.87Å; V280-H307 HydrophobicContact CG1-CB 3.56Å; V280-H307 WeakPolarHBondContact CG1-O 3.3Å; D305-H307 PolarHBondContact O-N 2.98Å; D305-H307 WeakPolarHBondContact OD1-CA 3.46Å; D305-H307 VanDerWaalsContact OD1-CB 3.3Å; D305-H307 WeakPolarHBondContact OD1-CB 3.42Å; D305-H307 IonicContact OD1-CD2 3.64Å; D305-H307 IonicContact OD1-CG 3.6Å; D305-H307 PolarHBondContact OD1-N 2.86Å; H307-A310 PolarHBondContact O-N 2.9Å; H307-V311 WeakPolarHBondContact O-CB 3.46Å; H307-V311 VanDerWaalsContact O-CG2 3.31Å; H307-V311 WeakPolarHBondContact O-CG2 3.04Å; H307-V311 PolarHBondContact O-N 3.14Å
308L95.9Very high92.9Very high1 Ų136.9 Ų36.91%0.00517%0.174CC..Hα-helixtrans-63.8-49.5176.5176.963.3000110.6V280 Q284 L285 V288 Y303 D305 P306 A310 V311 L312V280-L308 HydrophobicContact CG1-CB 4.41Å; V280-L308 HydrophobicContact CG2-CD1 4.15Å; Q284-L308 HydrophobicContact CB-CD1 4.48Å; Q284-L308 HydrophobicContact CG-CD1 4.07Å; Q284-L308 HydrophobicContact CG-CD2 3.89Å; L285-L308 HydrophobicContact CB-CD1 4.36Å; V288-L308 HydrophobicContact CG2-CD1 4.41Å; V288-L308 HydrophobicContact CG2-CD2 4.04Å; Y303-L308 HydrophobicContact CD1-CD2 3.64Å; Y303-L308 HydrophobicContact CD2-CD2 4.27Å; Y303-L308 HydrophobicContact CE1-CD2 4.38Å; Y303-L308 HydrophobicContact CG-CD2 3.57Å; D305-L308 HydrophobicContact CB-CB 3.94Å; D305-L308 WeakPolarHBondContact O-CB 3.2Å; D305-L308 PolarHBondContact O-N 3.41Å; D305-L308 PolarHBondContact OD1-N 3.31Å; P306-L308 VanDerWaalsContact C-N 3.3Å; P306-L308 PolarHBondContact O-N 3Å; L308-A310 VanDerWaalsContact C-N 3.33Å; L308-A310 PolarHBondContact O-N 3.47Å; L308-V311 PolarHBondContact O-N 3.06Å; L308-L312 VanDerWaalsContact O-CB 3.26Å; L308-L312 WeakPolarHBondContact O-CB 3.19Å; L308-L312 PolarHBondContact O-N 3.19Å
309A97.3Very high93.1Very high0 Ų037 Ų370%017%0.173CC..Hα-helixtrans-61.4-41.5175.700000112.1Y264 L265 L300 P306 V311 L312 L313Y264-A309 HydrophobicContact CD1-CB 3.48Å; Y264-A309 VanDerWaalsContact CD1-CB 3.48Å; Y264-A309 HydrophobicContact CE1-CB 3.99Å; L265-A309 HydrophobicContact CD1-CB 4.23Å; L265-A309 HydrophobicContact CD2-CB 4.06Å; L265-A309 HydrophobicContact CG-CB 3.93Å; L300-A309 HydrophobicContact CD1-CB 3.94Å; P306-A309 PolarHBondContact O-N 3.04Å; A309-V311 PolarHBondContact O-N 3.35Å; A309-L312 WeakPolarHBondContact O-CB 2.84Å; A309-L312 PolarHBondContact O-N 3.15Å; A309-L313 WeakPolarHBondContact O-CB 3.31Å; A309-L313 PolarHBondContact O-N 3.39Å
310A97.7Very high93Very high0 Ų035.1 Ų35.10%016%0.163CC..Hα-helixtrans-63.4-40.3176.800000113L265 I275 F276 P306 H307 L308 K314L265-A310 HydrophobicContact CD1-CB 4.4Å; L265-A310 HydrophobicContact CD2-CB 4.22Å; I275-A310 HydrophobicContact CD1-CB 3.66Å; I275-A310 HydrophobicContact CG1-CB 4.15Å; F276-A310 HydrophobicContact CD1-CB 3.5Å; F276-A310 VanDerWaalsContact CD1-CB 3.5Å; F276-A310 HydrophobicContact CE1-CB 3.56Å; F276-A310 HydrophobicContact CG-CB 4.11Å; F276-A310 HydrophobicContact CZ-CB 4.22Å; P306-A310 WeakPolarHBondContact O-CB 3.19Å; P306-A310 PolarHBondContact O-N 3.35Å; H307-A310 PolarHBondContact O-N 2.9Å; L308-A310 VanDerWaalsContact C-N 3.33Å; L308-A310 PolarHBondContact O-N 3.47Å; A310-K314 WeakPolarHBondContact O-CG 3.38Å; A310-K314 PolarHBondContact O-N 3.15Å
311V93.9Very high92.8Very high19 Ų1938.9 Ų38.912%0.11519%0.186CC..Hα-helixtrans-72.4-38.4175.71740000111V280 L285 H307 L308 A309 K314 S315V280-V311 HydrophobicContact CG1-CG2 4.17Å; V280-V311 HydrophobicContact CG2-CB 3.84Å; V280-V311 HydrophobicContact CG2-CG1 3.9Å; V280-V311 HydrophobicContact CG2-CG2 3.99Å; L285-V311 HydrophobicContact CD1-CG1 4.11Å; L285-V311 HydrophobicContact CD2-CG1 3.69Å; L285-V311 HydrophobicContact CG-CG1 4.47Å; H307-V311 WeakPolarHBondContact O-CB 3.46Å; H307-V311 VanDerWaalsContact O-CG2 3.31Å; H307-V311 WeakPolarHBondContact O-CG2 3.04Å; H307-V311 PolarHBondContact O-N 3.14Å; L308-V311 PolarHBondContact O-N 3.06Å; A309-V311 PolarHBondContact O-N 3.35Å; V311-K314 PolarHBondContact O-N 2.72Å; V311-S315 VanDerWaalsContact O-CB 3.26Å; V311-S315 WeakPolarHBondContact O-CB 3.46Å; V311-S315 PolarHBondContact O-N 3.1Å
312L95.1Very high92.7Very high0 Ų034.5 Ų34.50%017%0.172CC..Hα-helixtrans-57.6-48.4175.3-17470.8000111.4F238 V257 L285 V288 Q289 Y292 L300 L308 A309 K314 S315 F316F238-L312 HydrophobicContact CE1-CD1 4.25Å; F238-L312 HydrophobicContact CE2-CD1 4.35Å; F238-L312 HydrophobicContact CZ-CD1 3.55Å; F238-L312 HydrophobicContact CZ-CG 4.22Å; V257-L312 HydrophobicContact CG2-CD1 4.36Å; V257-L312 HydrophobicContact CG2-CD2 3.74Å; V257-L312 HydrophobicContact CG2-CG 3.92Å; L285-L312 HydrophobicContact CD1-CB 4.1Å; L285-L312 HydrophobicContact CD1-CD1 3.85Å; V288-L312 HydrophobicContact CG1-CD1 3.98Å; V288-L312 HydrophobicContact CG1-CD2 3.81Å; Q289-L312 HydrophobicContact CG-CD1 3.71Å; Y292-L312 HydrophobicContact CD2-CD2 4.39Å; Y292-L312 HydrophobicContact CE2-CD2 3.68Å; L300-L312 HydrophobicContact CD1-CD2 4.47Å; L300-L312 HydrophobicContact CD2-CD2 4.11Å; L308-L312 VanDerWaalsContact O-CB 3.26Å; L308-L312 WeakPolarHBondContact O-CB 3.19Å; L308-L312 PolarHBondContact O-N 3.19Å; A309-L312 WeakPolarHBondContact O-CB 2.84Å; A309-L312 PolarHBondContact O-N 3.15Å; L312-K314 PolarHBondContact O-N 2.86Å; L312-S315 WeakPolarHBondContact O-CB 3.05Å; L312-S315 PolarHBondContact O-N 3.33Å; L312-S315 VanDerWaalsContact O-N 3.13Å; L312-F316 PolarHBondContact O-N 3.35Å
313L96.9Very high92.9Very high0 Ų028.2 Ų28.20%014%0.138CC..Hα-helixtrans-58.9-47.9177.7-17267.2000112F258 A261 I262 L265 F276 A309 S315 F316 L317 L367 F370 F392F258-L313 HydrophobicContact CD1-CD1 4.1Å; F258-L313 HydrophobicContact CD2-CD1 3.34Å; F258-L313 HydrophobicContact CE1-CD1 4.11Å; F258-L313 HydrophobicContact CE2-CD1 3.35Å; F258-L313 HydrophobicContact CE2-CG 4.22Å; F258-L313 HydrophobicContact CG-CD1 3.73Å; F258-L313 HydrophobicContact CZ-CD1 3.76Å; A261-L313 HydrophobicContact CB-CB 4.22Å; A261-L313 HydrophobicContact CB-CD1 4.25Å; I262-L313 HydrophobicContact CD1-CD1 4.33Å; I262-L313 HydrophobicContact CD1-CD2 4.29Å; I262-L313 HydrophobicContact CG1-CD1 4.2Å; I262-L313 HydrophobicContact CG1-CD2 3.89Å; L265-L313 HydrophobicContact CD1-CD2 4.48Å; F276-L313 HydrophobicContact CE1-CD2 3.99Å; F276-L313 HydrophobicContact CZ-CD2 4.4Å; A309-L313 WeakPolarHBondContact O-CB 3.31Å; A309-L313 PolarHBondContact O-N 3.39Å; L313-S315 VanDerWaalsContact C-N 3.32Å; L313-S315 PolarHBondContact O-N 3.47Å; L313-F316 WeakPolarHBondContact O-CB 3.21Å; L313-F316 PolarHBondContact O-N 2.82Å; L313-L317 PolarHBondContact O-N 3.07Å; L313-L367 HydrophobicContact CD2-CD1 3.97Å; L313-F370 HydrophobicContact CD2-CE1 4.43Å; L313-F392 HydrophobicContact CD2-CZ 4.43Å
314K95.5Very high93.1Very high28 Ų2825 Ų2512%0.12213%0.126CC..Hα-helixtrans-65.4-36175.4-68.6-175.2-60.4168.60112.3F276 A310 V311 L312 R318 F392F276-K314 HydrophobicContact CB-CD 4.44Å; F276-K314 HydrophobicContact CD1-CD 4.37Å; F276-K314 HydrophobicContact CD1-CG 4.31Å; F276-K314 WeakPolarHBondContact O-CE 3.23Å; F276-K314 PolarHBondContact O-NZ 3.27Å; A310-K314 WeakPolarHBondContact O-CG 3.38Å; A310-K314 PolarHBondContact O-N 3.15Å; V311-K314 PolarHBondContact O-N 2.72Å; L312-K314 PolarHBondContact O-N 2.86Å; K314-R318 WeakPolarHBondContact O-CB 3.39Å; K314-R318 PolarHBondContact O-N 3.27Å; K314-R318 VanDerWaalsContact O-N 3.09Å; K314-R318 PolarHBondContact O-NH1 3.41Å; K314-F392 HydrophobicContact CG-CD1 4.32Å; K314-F392 HydrophobicContact CG-CE1 3.83Å; K314-F392 HydrophobicContact CG-CE2 4.44Å; K314-F392 HydrophobicContact CG-CZ 3.89Å
315S89.2Confident93.3Very high0 Ų019.7 Ų19.70%010%0.097CC..Hα-helixtrans-66.4-40.7178.3-154.80000111Q289 V311 L312 L313 R318 E319Q289-S315 PolarHBondContact NE2-OG 2.64Å; V311-S315 VanDerWaalsContact O-CB 3.26Å; V311-S315 WeakPolarHBondContact O-CB 3.46Å; V311-S315 PolarHBondContact O-N 3.1Å; L312-S315 WeakPolarHBondContact O-CB 3.05Å; L312-S315 PolarHBondContact O-N 3.33Å; L312-S315 VanDerWaalsContact O-N 3.13Å; L313-S315 VanDerWaalsContact C-N 3.32Å; L313-S315 PolarHBondContact O-N 3.47Å; S315-R318 PolarHBondContact O-N 3.5Å; S315-R318 PolarHBondContact OG-NH2 3.18Å; S315-E319 WeakPolarHBondContact O-CB 3.4Å; S315-E319 VanDerWaalsContact O-CG 3.23Å; S315-E319 WeakPolarHBondContact O-CG 3.1Å; S315-E319 PolarHBondContact O-N 2.98Å; S315-E319 PolarHBondContact OG-OE1 3.07Å
316F94.8Very high93.4Very high1 Ų118.1 Ų18.10%0.0049%0.089CC..Hα-helixtrans-55.8-53.8174.9175.9-94000111Q237 F238 L242 I245 P255 V257 F258 L312 L313 R318 E319 L320Q237-F316 VanDerWaalsContact O-CE2 3.28Å; Q237-F316 WeakPolarHBondContact O-CE2 3.26Å; F238-F316 HydrophobicContact CD1-CB 4.36Å; F238-F316 HydrophobicContact CD1-CD2 4.3Å; F238-F316 VanDerWaalsContact CE1-CA 3.5Å; F238-F316 HydrophobicContact CE1-CB 3.7Å; F238-F316 HydrophobicContact CE1-CD2 4.11Å; F238-F316 HydrophobicContact CE1-CG 4.43Å; F238-F316 HydrophobicContact CZ-CB 4.34Å; F238-F316 HydrophobicContact CZ-CD2 4.44Å; L242-F316 HydrophobicContact CD2-CE1 4.29Å; L242-F316 HydrophobicContact CD2-CZ 4.15Å; I245-F316 HydrophobicContact CD1-CE2 3.68Å; I245-F316 HydrophobicContact CD1-CZ 3.64Å; P255-F316 HydrophobicContact CB-CE1 4.44Å; P255-F316 HydrophobicContact CB-CE2 4.06Å; P255-F316 HydrophobicContact CB-CZ 3.76Å; P255-F316 HydrophobicContact CG-CE1 3.92Å; P255-F316 HydrophobicContact CG-CE2 4.19Å; P255-F316 HydrophobicContact CG-CZ 3.4Å; P255-F316 VanDerWaalsContact CG-CZ 3.4Å; V257-F316 HydrophobicContact CG1-CB 4.45Å; V257-F316 HydrophobicContact CG1-CD2 3.32Å; V257-F316 HydrophobicContact CG1-CE2 3.68Å; V257-F316 HydrophobicContact CG1-CG 3.92Å; F258-F316 AromaticContact CD2-CD1 3.54Å; F258-F316 HydrophobicContact CD2-CD1 3.54Å; F258-F316 AromaticContact CD2-CE1 3.88Å; F258-F316 HydrophobicContact CD2-CE1 3.88Å; F258-F316 HydrophobicContact CD2-CG 4.39Å; F258-F316 AromaticContact CE2-CD1 3.94Å; F258-F316 HydrophobicContact CE2-CD1 3.94Å; F258-F316 HydrophobicContact CE2-CE1 4.38Å; L312-F316 PolarHBondContact O-N 3.35Å; L313-F316 WeakPolarHBondContact O-CB 3.21Å; L313-F316 PolarHBondContact O-N 2.82Å; F316-R318 PolarHBondContact O-N 3.06Å; F316-E319 PolarHBondContact O-N 3.41Å; F316-L320 HydrophobicContact CE1-CD2 4.04Å; F316-L320 HydrophobicContact CE2-CD2 4.42Å; F316-L320 HydrophobicContact CZ-CD2 3.83Å; F316-L320 PolarHBondContact O-N 3.42Å
317L93.7Very high93Very high0 Ų018.8 Ų18.80%09%0.09CC..Hα-helixtrans-58.5-45.7179.8-67.1169.8000112.6F258 L313 E319 L320 L324 L367 F392 S395 L396 W398F258-L317 HydrophobicContact CE2-CD1 4.31Å; F258-L317 HydrophobicContact CE2-CD2 3.65Å; F258-L317 HydrophobicContact CE2-CG 3.9Å; F258-L317 HydrophobicContact CZ-CD2 4.12Å; L313-L317 PolarHBondContact O-N 3.07Å; L317-E319 VanDerWaalsContact C-N 3.32Å; L317-E319 PolarHBondContact O-N 3.37Å; L317-L320 PolarHBondContact O-N 3.49Å; L317-L324 HydrophobicContact CD2-CB 4.25Å; L317-L324 HydrophobicContact CD2-CD2 3.67Å; L317-L324 HydrophobicContact CD2-CG 4.5Å; L317-L367 HydrophobicContact CD1-CD2 3.67Å; L317-F392 HydrophobicContact CD1-CD1 4.02Å; L317-F392 HydrophobicContact CD1-CE1 3.92Å; L317-S395 CarbonylContact C-O 3.6Å; L317-S395 WeakPolarHBondContact CB-O 3.49Å; L317-L396 HydrophobicContact CD1-CD2 4.16Å; L317-W398 VanDerWaalsContact O-CH2 3.31Å; L317-W398 WeakPolarHBondContact O-CH2 3.46Å
318R88.3Confident92.9Very high108 Ų10823.8 Ų23.841%0.40811%0.114SC..Hα-helixtrans-70.7-26.7-178.9-175.2176.862.6-97.9-5.1113.3K314 S315 F316K314-R318 WeakPolarHBondContact O-CB 3.39Å; K314-R318 PolarHBondContact O-N 3.27Å; K314-R318 VanDerWaalsContact O-N 3.09Å; K314-R318 PolarHBondContact O-NH1 3.41Å; S315-R318 PolarHBondContact O-N 3.5Å; S315-R318 PolarHBondContact OG-NH2 3.18Å; F316-R318 PolarHBondContact O-N 3.06Å
319E87.2Confident92.8Very high22 Ų2223.9 Ų23.910%0.10311%0.114CC..THydrogen-bonded Turntrans-95.18.7-178.6-66.9-179.9175.800112.5F238 N239 R286 Q289 S315 F316 L317F238-E319 WeakPolarHBondContact CD1-OE2 3.43Å; N239-E319 WeakPolarHBondContact CA-O 3.29Å; N239-E319 PolarHBondContact N-O 3.26Å; N239-E319 VanDerWaalsContact N-O 3.08Å; R286-E319 IonicContact CZ-OE1 3.77Å; R286-E319 IonicContact NH1-OE1 2.78Å; R286-E319 PolarHBondContact NH1-OE1 3.05Å; R286-E319 IonicContact NH1-OE2 3.8Å; R286-E319 IonicContact NH2-OE1 2.85Å; R286-E319 PolarHBondContact NH2-OE1 3Å; R286-E319 VanDerWaalsContact NH2-OE1 3.12Å; Q289-E319 PolarHBondContact NE2-OE2 3.29Å; S315-E319 WeakPolarHBondContact O-CB 3.4Å; S315-E319 VanDerWaalsContact O-CG 3.23Å; S315-E319 WeakPolarHBondContact O-CG 3.1Å; S315-E319 PolarHBondContact O-N 2.98Å; S315-E319 PolarHBondContact OG-OE1 3.07Å; F316-E319 PolarHBondContact O-N 3.41Å; L317-E319 VanDerWaalsContact C-N 3.32Å; L317-E319 PolarHBondContact O-N 3.37Å
320L86.6Confident92.6Very high12 Ų1224.5 Ų24.56%0.06312%0.116CC..SBendtrans-64.7150.8166.8-66.6175.3000110.6L242 F316 L317 E322 L324 W398L242-L320 HydrophobicContact CD1-CD1 4.32Å; L242-L320 HydrophobicContact CD2-CD1 3.94Å; L242-L320 HydrophobicContact CD2-CD2 3.64Å; L242-L320 HydrophobicContact CD2-CG 4.47Å; L242-L320 HydrophobicContact CG-CD1 4.12Å; L242-L320 HydrophobicContact CG-CD2 4.14Å; F316-L320 HydrophobicContact CE1-CD2 4.04Å; F316-L320 HydrophobicContact CE2-CD2 4.42Å; F316-L320 HydrophobicContact CZ-CD2 3.83Å; F316-L320 PolarHBondContact O-N 3.42Å; L317-L320 PolarHBondContact O-N 3.49Å; L320-E322 WeakPolarHBondContact CB-O 3.41Å; L320-E322 PolarHBondContact O-N 3.02Å; L320-L324 HydrophobicContact CD1-CB 4.47Å; L320-W398 HydrophobicContact CB-CH2 4.47Å
321T84.8Confident92.3Very high85 Ų8530.4 Ų30.452%0.52115%0.148SC..SBendtrans-64.3-21.1175.953.60000113.1S241S241-T321 WeakPolarHBondContact CA-OG1 3.47Å; S241-T321 WeakPolarHBondContact CB-OG1 3.28Å
322E86.9Confident92.3Very high62 Ų6232.2 Ų32.229%0.2916%0.155SC..SBendtrans-142.4144.3178.5178.3171-164.400108.3L320 T326 F327L320-E322 WeakPolarHBondContact CB-O 3.41Å; L320-E322 PolarHBondContact O-N 3.02Å; E322-T326 WeakPolarHBondContact OE1-CA 3.24Å; E322-T326 WeakPolarHBondContact OE1-CB 3.4Å; E322-F327 HydrophobicContact CB-CD2 4.34Å; E322-F327 HydrophobicContact CB-CE2 4.03Å; E322-F327 HydrophobicContact CG-CD2 3.56Å; E322-F327 HydrophobicContact CG-CE2 3.72Å; E322-F327 HydrophobicContact CG-CG 4.33Å; E322-F327 PolarHBondContact OE1-N 3.23Å
323P92.6Very high92.3Very high0 Ų032.2 Ų32.20%016%0.155CC..  trans-57.9150.9177-3.44.5000112.9L325 T326 F327 L396 I397 W398P323-L325 PolarHBondContact O-N 3.38Å; P323-T326 WeakPolarHBondContact O-CA 3.44Å; P323-T326 PolarHBondContact O-N 2.87Å; P323-F327 HydrophobicContact CG-CD1 3.82Å; P323-F327 HydrophobicContact CG-CE1 3.63Å; P323-F327 HydrophobicContact CG-CG 4.47Å; P323-F327 HydrophobicContact CG-CZ 4.14Å; P323-L396 WeakPolarHBondContact CB-O 3.14Å; P323-I397 HydrophobicContact CB-CG1 4.45Å; P323-W398 HydrophobicContact CB-CD2 3.81Å; P323-W398 HydrophobicContact CB-CE3 3.63Å; P323-W398 HydrophobicContact CB-CH2 3.85Å; P323-W398 HydrophobicContact CB-CZ2 4Å; P323-W398 HydrophobicContact CB-CZ3 3.64Å; P323-W398 VanDerWaalsContact CD-CE2 3.47Å; P323-W398 HydrophobicContact CG-CD2 3.55Å; P323-W398 HydrophobicContact CG-CE3 3.94Å; P323-W398 HydrophobicContact CG-CG 3.95Å; P323-W398 HydrophobicContact CG-CH2 4.27Å; P323-W398 HydrophobicContact CG-CZ2 3.9Å; P323-W398 HydrophobicContact CG-CZ3 4.27Å; P323-W398 VanDerWaalsContact N-CZ2 3.3Å
324L96.5Very high92.1Very high0 Ų034.3 Ų34.30%017%0.166CC..THydrogen-bonded Turntrans-59.1-36.1178.2-179.361.7000111.7L242 L317 L320 T326 N360 I363 L364 L396L242-L324 HydrophobicContact CD1-CD1 3.74Å; L317-L324 HydrophobicContact CD2-CB 4.25Å; L317-L324 HydrophobicContact CD2-CD2 3.67Å; L317-L324 HydrophobicContact CD2-CG 4.5Å; L320-L324 HydrophobicContact CD1-CB 4.47Å; L324-T326 PolarHBondContact O-N 3.41Å; L324-N360 HydrophobicContact CD1-CB 4.21Å; L324-N360 WeakPolarHBondContact O-CB 3.49Å; L324-N360 PolarHBondContact O-ND2 3.13Å; L324-I363 HydrophobicContact CD1-CB 4.01Å; L324-I363 HydrophobicContact CD1-CG2 3.93Å; L324-I363 HydrophobicContact CD2-CG2 3.96Å; L324-L364 HydrophobicContact CD2-CB 4.03Å; L324-L364 HydrophobicContact CD2-CD1 3.93Å; L324-L364 HydrophobicContact CG-CB 4.38Å; L324-L396 HydrophobicContact CD2-CD2 3.99Å; L324-L396 PolarHBondContact N-O 2.91Å
325L97.1Very high91.9Very high0 Ų035.1 Ų35.10%018%0.182CC..THydrogen-bonded Turntrans-81.18.9174.2-69172.3000113.8P323 L329 I333 I352 L364 L396 I397 F414P323-L325 PolarHBondContact O-N 3.38Å; L325-L329 VanDerWaalsContact O-CB 3.29Å; L325-L329 WeakPolarHBondContact O-CB 3.5Å; L325-L329 WeakPolarHBondContact O-CD1 3.26Å; L325-L329 WeakPolarHBondContact O-CG 3.42Å; L325-I333 HydrophobicContact CB-CD1 4.3Å; L325-I333 HydrophobicContact CD1-CD1 4.05Å; L325-I352 HydrophobicContact CD2-CD1 3.76Å; L325-L364 HydrophobicContact CD2-CD1 4.18Å; L325-L364 HydrophobicContact CD2-CD2 3.56Å; L325-L396 HydrophobicContact CD1-CB 3.9Å; L325-L396 HydrophobicContact CG-CB 4.32Å; L325-L396 PolarHBondContact N-O 3.4Å; L325-I397 HydrophobicContact CB-CB 4.07Å; L325-I397 HydrophobicContact CB-CD1 3.93Å; L325-I397 HydrophobicContact CB-CG1 4.28Å; L325-I397 HydrophobicContact CD1-CB 4.08Å; L325-I397 HydrophobicContact CD1-CG2 4.28Å; L325-F414 HydrophobicContact CD1-CD1 4.38Å; L325-F414 HydrophobicContact CD1-CE1 4.19Å
326T95.8Very high92Very high5 Ų535.3 Ų35.33%0.03118%0.184CC..THydrogen-bonded Turntrans62.3160.9-179.171.60000114.3E322 P323 L324 E328 L356 P357E322-T326 WeakPolarHBondContact OE1-CA 3.24Å; E322-T326 WeakPolarHBondContact OE1-CB 3.4Å; P323-T326 WeakPolarHBondContact O-CA 3.44Å; P323-T326 PolarHBondContact O-N 2.87Å; L324-T326 PolarHBondContact O-N 3.41Å; T326-E328 VanDerWaalsContact C-N 3.34Å; T326-E328 WeakPolarHBondContact CB-OE2 3.43Å; T326-L356 HydrophobicContact CG2-CD1 4.07Å; T326-P357 HydrophobicContact CG2-CG 4.07Å
327F90.7Very high91.8Very high35 Ų3539.1 Ų39.115%0.15421%0.21CC..THydrogen-bonded Turntrans-75.1-27.2173.9-68.6-60.7000112.3E322 P323 L329 Y330 W398 R400E322-F327 HydrophobicContact CB-CD2 4.34Å; E322-F327 HydrophobicContact CB-CE2 4.03Å; E322-F327 HydrophobicContact CG-CD2 3.56Å; E322-F327 HydrophobicContact CG-CE2 3.72Å; E322-F327 HydrophobicContact CG-CG 4.33Å; E322-F327 PolarHBondContact OE1-N 3.23Å; P323-F327 HydrophobicContact CG-CD1 3.82Å; P323-F327 HydrophobicContact CG-CE1 3.63Å; P323-F327 HydrophobicContact CG-CG 4.47Å; P323-F327 HydrophobicContact CG-CZ 4.14Å; F327-L329 VanDerWaalsContact C-N 3.32Å; F327-L329 PolarHBondContact O-N 2.81Å; F327-Y330 VanDerWaalsContact O-CB 3.22Å; F327-Y330 WeakPolarHBondContact O-CB 3.49Å; F327-Y330 PolarHBondContact O-N 3.32Å; F327-W398 WeakPolarHBondContact CD1-O 3.48Å; F327-W398 AromaticContact CE1-CD1 3.74Å; F327-W398 AromaticContact CE1-NE1 3.71Å; F327-W398 WeakPolarHBondContact CE1-O 3.43Å; F327-W398 AromaticContact CZ-NE1 3.71Å; F327-R400 HydrophobicContact CB-CG 4.41Å; F327-R400 HydrophobicContact CD1-CG 3.49Å; F327-R400 VanDerWaalsContact CD1-CG 3.49Å; F327-R400 HydrophobicContact CD2-CG 3.95Å; F327-R400 VanDerWaalsContact CD2-CZ 3.47Å; F327-R400 VanDerWaalsContact CD2-NH2 3.31Å; F327-R400 HydrophobicContact CE1-CB 4.48Å; F327-R400 HydrophobicContact CE1-CG 3.53Å; F327-R400 HydrophobicContact CE2-CG 3.97Å; F327-R400 HydrophobicContact CG-CG 3.7Å; F327-R400 HydrophobicContact CZ-CG 3.76Å
328E93.7Very high91.5Very high122 Ų12242.8 Ų42.857%0.5725%0.248SC*.THydrogen-bonded Turntrans-65.8-33.3-177.5-69.167.3-150.400112.3T326 Y330T326-E328 VanDerWaalsContact C-N 3.34Å; T326-E328 WeakPolarHBondContact CB-OE2 3.43Å; E328-Y330 VanDerWaalsContact C-N 3.31Å
329L95.4Very high91.7Very high2 Ų240.2 Ų40.21%0.0124%0.242CC..THydrogen-bonded Turntrans-82.1-6.6177.5-55.3-174.5000113.6L325 F327 D331 E332 I333 L351 K355 L356L325-L329 VanDerWaalsContact O-CB 3.29Å; L325-L329 WeakPolarHBondContact O-CB 3.5Å; L325-L329 WeakPolarHBondContact O-CD1 3.26Å; L325-L329 WeakPolarHBondContact O-CG 3.42Å; F327-L329 VanDerWaalsContact C-N 3.32Å; F327-L329 PolarHBondContact O-N 2.81Å; L329-D331 PolarHBondContact O-N 3.48Å; L329-E332 PolarHBondContact O-N 3.23Å; L329-I333 HydrophobicContact CB-CD1 3.91Å; L329-I333 HydrophobicContact CB-CG1 4.41Å; L329-I333 WeakPolarHBondContact O-CB 3.4Å; L329-I333 VanDerWaalsContact O-CG1 3.3Å; L329-I333 WeakPolarHBondContact O-CG1 3.46Å; L329-I333 PolarHBondContact O-N 3.21Å; L329-L351 HydrophobicContact CD2-CD2 4.4Å; L329-K355 HydrophobicContact CD2-CB 3.61Å; L329-K355 HydrophobicContact CD2-CD 4.11Å; L329-L356 HydrophobicContact CD1-CB 4.28Å; L329-L356 HydrophobicContact CD1-CD1 3.76Å
330Y91.6Very high92Very high13 Ų1343.1 Ų43.15%0.05126%0.259CS..Hα-helixtrans-56.1-56.8-172.8-171.1-91.2000112.4F327 E328 E332 I333 L334 I397 W398 S399 A403 I411F327-Y330 VanDerWaalsContact O-CB 3.22Å; F327-Y330 WeakPolarHBondContact O-CB 3.49Å; F327-Y330 PolarHBondContact O-N 3.32Å; E328-Y330 VanDerWaalsContact C-N 3.31Å; Y330-E332 VanDerWaalsContact C-N 3.3Å; Y330-E332 PolarHBondContact O-N 2.84Å; Y330-I333 PolarHBondContact O-N 3.13Å; Y330-L334 HydrophobicContact CD1-CD1 4.04Å; Y330-L334 HydrophobicContact CD1-CG 4.44Å; Y330-L334 HydrophobicContact CE1-CD1 3.45Å; Y330-L334 VanDerWaalsContact CE1-CD1 3.45Å; Y330-L334 HydrophobicContact CE1-CG 4.13Å; Y330-L334 WeakPolarHBondContact O-CG 3.43Å; Y330-L334 PolarHBondContact O-N 2.79Å; Y330-L334 VanDerWaalsContact O-N 3.07Å; Y330-I397 HydrophobicContact CD2-CD1 3.87Å; Y330-I397 HydrophobicContact CD2-CG1 3.69Å; Y330-I397 HydrophobicContact CE2-CG1 4.31Å; Y330-I397 HydrophobicContact CG-CD1 4.47Å; Y330-W398 VanDerWaalsContact CE2-C 3.47Å; Y330-S399 VanDerWaalsContact CE2-N 3.3Å; Y330-A403 WeakPolarHBondContact OH-CB 3.47Å; Y330-I411 HydrophobicContact CE2-CD1 4.1Å
331D91.5Very high92.3Very high124 Ų12446.3 Ų46.366%0.66329%0.287SS*.Hα-helixtrans-68.1-31.6-178.3-66.1-34.8000111.9L329 L334 G335L329-D331 PolarHBondContact O-N 3.48Å; D331-L334 PolarHBondContact O-N 3.37Å; D331-G335 PolarHBondContact O-N 2.81Å
332E94.4Very high92.8Very high57 Ų5750.8 Ų50.827%0.26630%0.299SS..Hα-helixtrans-69.1-38.4176.9-61.3-165.5-119.200112.4L329 Y330 G335 L351 K355L329-E332 PolarHBondContact O-N 3.23Å; Y330-E332 VanDerWaalsContact C-N 3.3Å; Y330-E332 PolarHBondContact O-N 2.84Å; E332-G335 PolarHBondContact O-N 2.85Å; E332-L351 HydrophobicContact CB-CD1 3.94Å; E332-L351 HydrophobicContact CB-CD2 3.8Å; E332-L351 HydrophobicContact CG-CD2 4.36Å; E332-L351 WeakPolarHBondContact OE2-CD2 3.5Å; E332-K355 VanDerWaalsContact OE1-CD 3.22Å; E332-K355 WeakPolarHBondContact OE1-CD 3.18Å; E332-K355 WeakPolarHBondContact OE1-CE 3.29Å; E332-K355 IonicContact OE1-NZ 2.62Å; E332-K355 PolarHBondContact OE1-NZ 3.34Å; E332-K355 IonicContact OE2-NZ 2.64Å; E332-K355 PolarHBondContact OE2-NZ 2.91Å
333I95.2Very high93.3Very high0 Ų052.4 Ų52.40%031%0.306CS..Hα-helixtrans-65.6-42173.6-73.3163.9000109.9L325 L329 Y330 G335 T336 L351 I397 V410 F414L325-I333 HydrophobicContact CB-CD1 4.3Å; L325-I333 HydrophobicContact CD1-CD1 4.05Å; L329-I333 HydrophobicContact CB-CD1 3.91Å; L329-I333 HydrophobicContact CB-CG1 4.41Å; L329-I333 WeakPolarHBondContact O-CB 3.4Å; L329-I333 VanDerWaalsContact O-CG1 3.3Å; L329-I333 WeakPolarHBondContact O-CG1 3.46Å; L329-I333 PolarHBondContact O-N 3.21Å; Y330-I333 PolarHBondContact O-N 3.13Å; I333-G335 PolarHBondContact O-N 2.69Å; I333-T336 VanDerWaalsContact O-CB 3.29Å; I333-T336 WeakPolarHBondContact O-CB 3.39Å; I333-T336 VanDerWaalsContact O-CG2 3.25Å; I333-T336 WeakPolarHBondContact O-CG2 3.39Å; I333-T336 PolarHBondContact O-N 3.32Å; I333-T336 VanDerWaalsContact O-N 3.07Å; I333-T336 PolarHBondContact O-OG1 2.95Å; I333-L351 HydrophobicContact CG1-CD1 3.92Å; I333-I397 HydrophobicContact CD1-CD1 3.4Å; I333-I397 VanDerWaalsContact CD1-CD1 3.4Å; I333-V410 WeakPolarHBondContact O-CG1 3.44Å; I333-F414 HydrophobicContact CD1-CD1 4.12Å; I333-F414 HydrophobicContact CD1-CE1 3.78Å; I333-F414 HydrophobicContact CD1-CZ 4.17Å; I333-F414 HydrophobicContact CG1-CD1 4.1Å; I333-F414 HydrophobicContact CG1-CD2 4.27Å; I333-F414 HydrophobicContact CG1-CE1 3.83Å; I333-F414 HydrophobicContact CG1-CE2 4.01Å; I333-F414 HydrophobicContact CG1-CG 4.31Å; I333-F414 HydrophobicContact CG1-CZ 3.79Å; I333-F414 HydrophobicContact CG2-CB 3.87Å; I333-F414 HydrophobicContact CG2-CD1 4Å; I333-F414 HydrophobicContact CG2-CD2 4.08Å; I333-F414 HydrophobicContact CG2-CG 3.72Å
334L92Very high93.4Very high44 Ų4455.1 Ų55.123%0.2332%0.318CS..Hα-helixtrans-63.7-32.5174.5-65.5-169.2000112.6Y330 D331 T336 S337 A407 V410 I411Y330-L334 HydrophobicContact CD1-CD1 4.04Å; Y330-L334 HydrophobicContact CD1-CG 4.44Å; Y330-L334 HydrophobicContact CE1-CD1 3.45Å; Y330-L334 VanDerWaalsContact CE1-CD1 3.45Å; Y330-L334 HydrophobicContact CE1-CG 4.13Å; Y330-L334 WeakPolarHBondContact O-CG 3.43Å; Y330-L334 PolarHBondContact O-N 2.79Å; Y330-L334 VanDerWaalsContact O-N 3.07Å; D331-L334 PolarHBondContact O-N 3.37Å; L334-T336 PolarHBondContact O-N 2.92Å; L334-T336 VanDerWaalsContact O-N 3.11Å; L334-S337 WeakPolarHBondContact O-CB 3.45Å; L334-S337 PolarHBondContact O-N 2.92Å; L334-A407 HydrophobicContact CD1-CB 4.14Å; L334-A407 HydrophobicContact CD2-CB 3.77Å; L334-V410 HydrophobicContact CD2-CB 4.09Å; L334-V410 HydrophobicContact CD2-CG1 4.18Å; L334-I411 HydrophobicContact CD2-CG1 4.39Å
335G91.8Very high93.5Very high45 Ų4556 Ų5646%0.46432%0.324SS..THydrogen-bonded Turntrans-63.3-8.1172.600000114.9D331 E332 I333 S337D331-G335 PolarHBondContact O-N 2.81Å; E332-G335 PolarHBondContact O-N 2.85Å; I333-G335 PolarHBondContact O-N 2.69Å; G335-S337 PolarHBondContact O-N 2.92Å
336T92.2Very high93.4Very high5 Ų559 Ų593%0.03135%0.349CS..THydrogen-bonded Turntrans-72.7-15.6170.167.70000112.6I333 L334 G338 L339 K344 L347 V410 F414I333-T336 VanDerWaalsContact O-CB 3.29Å; I333-T336 WeakPolarHBondContact O-CB 3.39Å; I333-T336 VanDerWaalsContact O-CG2 3.25Å; I333-T336 WeakPolarHBondContact O-CG2 3.39Å; I333-T336 PolarHBondContact O-N 3.32Å; I333-T336 VanDerWaalsContact O-N 3.07Å; I333-T336 PolarHBondContact O-OG1 2.95Å; L334-T336 PolarHBondContact O-N 2.92Å; L334-T336 VanDerWaalsContact O-N 3.11Å; T336-G338 PolarHBondContact O-N 2.78Å; T336-L339 PolarHBondContact O-N 3.33Å; T336-K344 WeakPolarHBondContact O-CE 3.26Å; T336-L347 HydrophobicContact CG2-CD2 3.72Å; T336-L347 HydrophobicContact CG2-CG 4.3Å; T336-V410 WeakPolarHBondContact OG1-CG1 3.47Å; T336-F414 HydrophobicContact CG2-CD2 3.99Å; T336-F414 HydrophobicContact CG2-CE2 4.26Å
337S89Confident93.5Very high80 Ų8060.6 Ų60.656%0.55936%0.357SS*.THydrogen-bonded Turntrans-60.7124.7174.3-169.50000110.2L334 G335L334-S337 WeakPolarHBondContact O-CB 3.45Å; L334-S337 PolarHBondContact O-N 2.92Å; G335-S337 PolarHBondContact O-N 2.92Å
338G87.5Confident93.8Very high77 Ų7759 Ų5979%0.79435%0.349SS*.THydrogen-bonded Turntrans91.1-11.3-179.600000116.2T336T336-G338 PolarHBondContact O-N 2.78Å
339L93.6Very high94Very high54 Ų5456.6 Ų56.628%0.28334%0.337SS..  trans-72.9153.3173.8-62.5-175.8000111.9T336 E343 K344 L347T336-L339 PolarHBondContact O-N 3.33Å; L339-E343 HydrophobicContact CB-CB 3.94Å; L339-E343 HydrophobicContact CD1-CB 4.35Å; L339-K344 HydrophobicContact CB-CG 3.73Å; L339-K344 WeakPolarHBondContact O-CE 3.24Å; L339-L347 HydrophobicContact CD1-CB 4.37Å; L339-L347 HydrophobicContact CD1-CD2 3.61Å
340D93.9Very high94Very high84 Ų8462.1 Ų62.145%0.44936%0.361SS..  trans-70168.9171.585.326.6000111.9K342 E343 K344D340-K342 VanDerWaalsContact C-N 3.32Å; D340-K342 PolarHBondContact O-N 2.79Å; D340-K342 WeakPolarHBondContact OD1-CA 3.47Å; D340-K342 WeakPolarHBondContact OD1-CB 3.45Å; D340-K342 PolarHBondContact OD1-N 3.21Å; D340-E343 PolarHBondContact N-OE2 2.81Å; D340-E343 PolarHBondContact O-N 2.83Å; D340-E343 WeakPolarHBondContact OD1-CB 3.11Å; D340-E343 WeakPolarHBondContact OD1-CG 3.48Å; D340-E343 PolarHBondContact OD1-N 3.05Å; D340-K344 VanDerWaalsContact O-CG 3.27Å; D340-K344 WeakPolarHBondContact O-CG 3.06Å; D340-K344 PolarHBondContact O-N 2.87Å
341A93Very high94.3Very high79 Ų7961.5 Ų61.565%0.65336%0.359SS*.Hα-helixtrans-60.6-37.3-176.600000113.6V345A341-V345 WeakPolarHBondContact O-CG2 3.4Å; A341-V345 PolarHBondContact O-N 3.45Å
342K94.8Very high94.6Very high179 Ų17955.7 Ų55.778%0.77833%0.327SS*.Hα-helixtrans-74.4-41.6-179.1-70.4-179.4178.5177.70110.9D340 K344 V345 A346D340-K342 VanDerWaalsContact C-N 3.32Å; D340-K342 PolarHBondContact O-N 2.79Å; D340-K342 WeakPolarHBondContact OD1-CA 3.47Å; D340-K342 WeakPolarHBondContact OD1-CB 3.45Å; D340-K342 PolarHBondContact OD1-N 3.21Å; K342-K344 VanDerWaalsContact C-N 3.35Å; K342-V345 PolarHBondContact O-N 3.5Å; K342-A346 WeakPolarHBondContact O-CB 3.46Å; K342-A346 PolarHBondContact O-N 3.47Å
343E96.3Very high94.7Very high96 Ų9654.7 Ų54.745%0.44932%0.324SS..Hα-helixtrans-62-42176-70.4176.9141.300111.3L339 D340 V345 A346 L347L339-E343 HydrophobicContact CB-CB 3.94Å; L339-E343 HydrophobicContact CD1-CB 4.35Å; D340-E343 PolarHBondContact N-OE2 2.81Å; D340-E343 PolarHBondContact O-N 2.83Å; D340-E343 WeakPolarHBondContact OD1-CB 3.11Å; D340-E343 WeakPolarHBondContact OD1-CG 3.48Å; D340-E343 PolarHBondContact OD1-N 3.05Å; E343-V345 PolarHBondContact O-N 2.87Å; E343-A346 PolarHBondContact O-N 2.86Å; E343-L347 WeakPolarHBondContact O-CB 3.23Å; E343-L347 PolarHBondContact O-N 3.03Å
344K96.3Very high94.7Very high57 Ų5762 Ų6225%0.24836%0.36CS..Hα-helixtrans-60.4-44.8175.3-72.6176.9172.91690112.3T336 L339 D340 K342 L347 A348 I417T336-K344 WeakPolarHBondContact O-CE 3.26Å; L339-K344 HydrophobicContact CB-CG 3.73Å; L339-K344 WeakPolarHBondContact O-CE 3.24Å; D340-K344 VanDerWaalsContact O-CG 3.27Å; D340-K344 WeakPolarHBondContact O-CG 3.06Å; D340-K344 PolarHBondContact O-N 2.87Å; K342-K344 VanDerWaalsContact C-N 3.35Å; K344-L347 PolarHBondContact O-N 3.05Å; K344-A348 VanDerWaalsContact O-CB 3.3Å; K344-A348 WeakPolarHBondContact O-CB 3.29Å; K344-A348 PolarHBondContact O-N 2.68Å; K344-I417 HydrophobicContact CB-CD1 3.67Å; K344-I417 HydrophobicContact CD-CD1 3.98Å; K344-I417 HydrophobicContact CG-CD1 4.38Å
345V96.8Very high94.9Very high19 Ų1964.6 Ų64.612%0.11537%0.369CS..Hα-helixtrans-64.9-43.5177.41770000110.8A341 K342 E343 A348 K349 I417 H421 I425A341-V345 WeakPolarHBondContact O-CG2 3.4Å; A341-V345 PolarHBondContact O-N 3.45Å; K342-V345 PolarHBondContact O-N 3.5Å; E343-V345 PolarHBondContact O-N 2.87Å; V345-A348 PolarHBondContact O-N 3.21Å; V345-K349 WeakPolarHBondContact O-CB 3.47Å; V345-K349 PolarHBondContact O-N 3Å; V345-I417 HydrophobicContact CG2-CG2 4.07Å; V345-H421 HydrophobicContact CG1-CB 4.25Å; V345-H421 HydrophobicContact CG2-CB 4.48Å; V345-I425 HydrophobicContact CG1-CD1 4.46Å; V345-I425 HydrophobicContact CG1-CG1 4.24Å
346A96.5Very high95.1Very high63 Ų6363 Ų6352%0.52135%0.35SS..Hα-helixtrans-63.5-42.4178.100000112.3K342 E343 K349 K350K342-A346 WeakPolarHBondContact O-CB 3.46Å; K342-A346 PolarHBondContact O-N 3.47Å; E343-A346 PolarHBondContact O-N 2.86Å; A346-K349 PolarHBondContact O-N 2.87Å; A346-K350 PolarHBondContact O-N 2.83Å
347L96.4Very high95.3Very high38 Ų3865.7 Ų65.720%0.19937%0.367CS..Hα-helixtrans-66.4-46.2175.5-178.656.1000110.9T336 L339 E343 K344 K349 K350 L351T336-L347 HydrophobicContact CG2-CD2 3.72Å; T336-L347 HydrophobicContact CG2-CG 4.3Å; L339-L347 HydrophobicContact CD1-CB 4.37Å; L339-L347 HydrophobicContact CD1-CD2 3.61Å; E343-L347 WeakPolarHBondContact O-CB 3.23Å; E343-L347 PolarHBondContact O-N 3.03Å; K344-L347 PolarHBondContact O-N 3.05Å; L347-K349 VanDerWaalsContact C-N 3.32Å; L347-K349 PolarHBondContact O-N 2.63Å; L347-K350 HydrophobicContact CD1-CD 4.47Å; L347-K350 WeakPolarHBondContact O-CB 3.4Å; L347-K350 PolarHBondContact O-N 2.85Å; L347-L351 HydrophobicContact CD1-CD1 4.46Å; L347-L351 HydrophobicContact CD1-CD2 4.11Å; L347-L351 HydrophobicContact CD1-CG 4.06Å; L347-L351 HydrophobicContact CG-CD1 4.29Å; L347-L351 HydrophobicContact CG-CG 4.29Å; L347-L351 WeakPolarHBondContact O-CG 3.46Å; L347-L351 PolarHBondContact O-N 3.45Å
348A97.5Very high95.6Very high0 Ų067.1 Ų67.10%037%0.369CS..Hα-helixtrans-55-48175.200000111.3K344 V345 K350 L351 I352 F414 I417 L418 I425K344-A348 VanDerWaalsContact O-CB 3.3Å; K344-A348 WeakPolarHBondContact O-CB 3.29Å; K344-A348 PolarHBondContact O-N 2.68Å; V345-A348 PolarHBondContact O-N 3.21Å; A348-K350 VanDerWaalsContact C-N 3.33Å; A348-K350 PolarHBondContact O-N 3.39Å; A348-L351 PolarHBondContact O-N 3.22Å; A348-I352 WeakPolarHBondContact O-CB 3.39Å; A348-I352 VanDerWaalsContact O-CG1 3.29Å; A348-I352 WeakPolarHBondContact O-CG1 3.31Å; A348-I352 PolarHBondContact O-N 2.83Å; A348-F414 HydrophobicContact CB-CD2 4.39Å; A348-F414 HydrophobicContact CB-CE2 3.61Å; A348-F414 HydrophobicContact CB-CZ 4.04Å; A348-I417 HydrophobicContact CB-CG2 4.12Å; A348-L418 HydrophobicContact CB-CD2 4.43Å; A348-I425 HydrophobicContact CB-CD1 3.94Å
349K97.4Very high95.9Very high72 Ų7264.6 Ų64.631%0.31334%0.337SS..Hα-helixtrans-55.8-45.9174.2-175.4169.8-171.11530112.3V345 A346 L347 L353 C424 I425 T427V345-K349 WeakPolarHBondContact O-CB 3.47Å; V345-K349 PolarHBondContact O-N 3Å; A346-K349 PolarHBondContact O-N 2.87Å; L347-K349 VanDerWaalsContact C-N 3.32Å; L347-K349 PolarHBondContact O-N 2.63Å; K349-L353 HydrophobicContact CD-CD1 4.25Å; K349-L353 VanDerWaalsContact CE-CD1 3.41Å; K349-L353 HydrophobicContact CG-CD1 3.71Å; K349-L353 HydrophobicContact CG-CG 4.24Å; K349-L353 WeakPolarHBondContact O-CB 3.47Å; K349-L353 WeakPolarHBondContact O-CG 3.47Å; K349-L353 PolarHBondContact O-N 2.91Å; K349-C424 WeakPolarHBondContact CD-O 3.23Å; K349-C424 WeakPolarHBondContact CE-O 3.21Å; K349-C424 PolarHBondContact NZ-O 3.09Å; K349-I425 HydrophobicContact CB-CG1 4.38Å; K349-T427 PolarHBondContact NZ-O 2.67Å
350K96.8Very high96Very high119 Ų11963 Ų6352%0.51733%0.329SS..Hα-helixtrans-61.2-47.7177.6-178.2-174.3176.7-174.30111.9A346 L347 A348 M354A346-K350 PolarHBondContact O-N 2.83Å; L347-K350 HydrophobicContact CD1-CD 4.47Å; L347-K350 WeakPolarHBondContact O-CB 3.4Å; L347-K350 PolarHBondContact O-N 2.85Å; A348-K350 VanDerWaalsContact C-N 3.33Å; A348-K350 PolarHBondContact O-N 3.39Å; K350-M354 WeakPolarHBondContact O-CB 3.31Å; K350-M354 PolarHBondContact O-N 3.09Å
351L97.4Very high96.2Very high0 Ų060 Ų600%031%0.311CS..Hα-helixtrans-62.5-47.7-179.2-62.7-176.4000111.1L329 E332 I333 L347 A348 K355 L356 F414L329-L351 HydrophobicContact CD2-CD2 4.4Å; E332-L351 HydrophobicContact CB-CD1 3.94Å; E332-L351 HydrophobicContact CB-CD2 3.8Å; E332-L351 HydrophobicContact CG-CD2 4.36Å; E332-L351 WeakPolarHBondContact OE2-CD2 3.5Å; I333-L351 HydrophobicContact CG1-CD1 3.92Å; L347-L351 HydrophobicContact CD1-CD1 4.46Å; L347-L351 HydrophobicContact CD1-CD2 4.11Å; L347-L351 HydrophobicContact CD1-CG 4.06Å; L347-L351 HydrophobicContact CG-CD1 4.29Å; L347-L351 HydrophobicContact CG-CG 4.29Å; L347-L351 WeakPolarHBondContact O-CG 3.46Å; L347-L351 PolarHBondContact O-N 3.45Å; A348-L351 PolarHBondContact O-N 3.22Å; L351-K355 HydrophobicContact CD2-CD 4.01Å; L351-K355 WeakPolarHBondContact O-CB 3.34Å; L351-K355 PolarHBondContact O-N 3.28Å; L351-K355 VanDerWaalsContact O-N 3.15Å; L351-L356 PolarHBondContact O-N 3.15Å; L351-L356 VanDerWaalsContact O-N 3.12Å; L351-F414 HydrophobicContact CD1-CE2 4.26Å; L351-F414 HydrophobicContact CD1-CZ 4.33Å
352I97.7Very high96.3Very high1 Ų160.3 Ų60.31%0.00530%0.299CS..Hα-helixtrans-68.4-43.4-177.2-62.5-48.1000112.3L325 A348 L356 Y361 L364 F414 L418 I425 F426L325-I352 HydrophobicContact CD2-CD1 3.76Å; A348-I352 WeakPolarHBondContact O-CB 3.39Å; A348-I352 VanDerWaalsContact O-CG1 3.29Å; A348-I352 WeakPolarHBondContact O-CG1 3.31Å; A348-I352 PolarHBondContact O-N 2.83Å; I352-L356 HydrophobicContact CD1-CD2 4.2Å; I352-L356 WeakPolarHBondContact O-CB 3.09Å; I352-Y361 HydrophobicContact CG2-CD2 3.72Å; I352-Y361 HydrophobicContact CG2-CE2 3.8Å; I352-L364 HydrophobicContact CD1-CD2 3.58Å; I352-L364 HydrophobicContact CG1-CD2 4.42Å; I352-L364 HydrophobicContact CG2-CD2 4.39Å; I352-F414 HydrophobicContact CD1-CZ 4.49Å; I352-L418 HydrophobicContact CD1-CD2 4.27Å; I352-L418 HydrophobicContact CG1-CD2 3.82Å; I352-I425 HydrophobicContact CB-CG2 4.15Å; I352-I425 HydrophobicContact CG1-CG2 4.12Å; I352-I425 HydrophobicContact CG2-CG2 4.32Å; I352-F426 HydrophobicContact CG2-CD1 4.06Å; I352-F426 HydrophobicContact CG2-CE1 3.62Å; I352-F426 HydrophobicContact CG2-CZ 3.96Å
353L96.3Very high96.4Very high36 Ų3651.8 Ų51.819%0.18826%0.262CS..Hα-helixtrans-85.2-27.7-175-64.8-174.9000114.6K349 Y361 K428K349-L353 HydrophobicContact CD-CD1 4.25Å; K349-L353 VanDerWaalsContact CE-CD1 3.41Å; K349-L353 HydrophobicContact CG-CD1 3.71Å; K349-L353 HydrophobicContact CG-CG 4.24Å; K349-L353 WeakPolarHBondContact O-CB 3.47Å; K349-L353 WeakPolarHBondContact O-CG 3.47Å; K349-L353 PolarHBondContact O-N 2.91Å; L353-Y361 HydrophobicContact CD2-CD2 4.48Å; L353-Y361 HydrophobicContact CD2-CE2 3.58Å; L353-K428 HydrophobicContact CD2-CG 4.06Å
354M94.8Very high96.4Very high153 Ų15347.2 Ų47.275%0.75424%0.241SC*.Hα-helixtrans-112-18.2-170.1-56.7-72.5170.900114K350K350-M354 WeakPolarHBondContact O-CB 3.31Å; K350-M354 PolarHBondContact O-N 3.09Å
355K96.5Very high96.5Very high100 Ų10046.2 Ų46.244%0.43524%0.238SC..THydrogen-bonded Turntrans-122.8-28.1-173.8-65.8-167.4161.1-170.70114.6L329 E332 L351L329-K355 HydrophobicContact CD2-CB 3.61Å; L329-K355 HydrophobicContact CD2-CD 4.11Å; E332-K355 VanDerWaalsContact OE1-CD 3.22Å; E332-K355 WeakPolarHBondContact OE1-CD 3.18Å; E332-K355 WeakPolarHBondContact OE1-CE 3.29Å; E332-K355 IonicContact OE1-NZ 2.62Å; E332-K355 PolarHBondContact OE1-NZ 3.34Å; E332-K355 IonicContact OE2-NZ 2.64Å; E332-K355 PolarHBondContact OE2-NZ 2.91Å; L351-K355 HydrophobicContact CD2-CD 4.01Å; L351-K355 WeakPolarHBondContact O-CB 3.34Å; L351-K355 PolarHBondContact O-N 3.28Å; L351-K355 VanDerWaalsContact O-N 3.15Å
356L96.8Very high96.5Very high11 Ų1146.5 Ų46.56%0.05824%0.238CC..SBendtrans-71131.7178.7-166.766.7000110.1T326 L329 L351 I352 N360 L364T326-L356 HydrophobicContact CG2-CD1 4.07Å; L329-L356 HydrophobicContact CD1-CB 4.28Å; L329-L356 HydrophobicContact CD1-CD1 3.76Å; L351-L356 PolarHBondContact O-N 3.15Å; L351-L356 VanDerWaalsContact O-N 3.12Å; I352-L356 HydrophobicContact CD1-CD2 4.2Å; I352-L356 WeakPolarHBondContact O-CB 3.09Å; L356-N360 HydrophobicContact CD1-CB 3.79Å; L356-N360 HydrophobicContact CD2-CB 4.24Å; L356-N360 HydrophobicContact CG-CB 3.76Å; L356-L364 HydrophobicContact CD2-CB 4.33Å; L356-L364 HydrophobicContact CD2-CD2 3.61Å
357P96.3Very high96.6Very high61 Ų6143.5 Ų43.540%0.39621%0.213SC..  trans-57.5148.8174.8-24.634.2000112.2T326 D359 N360 Y361T326-P357 HydrophobicContact CG2-CG 4.07Å; P357-D359 VanDerWaalsContact C-N 3.33Å; P357-D359 PolarHBondContact O-N 3.26Å; P357-N360 HydrophobicContact CB-CB 4.41Å; P357-N360 WeakPolarHBondContact O-CB 2.87Å; P357-N360 PolarHBondContact O-N 3.27Å; P357-N360 VanDerWaalsContact O-N 3.11Å; P357-Y361 PolarHBondContact O-N 2.73Å
358D94.5Very high96.7Very high111 Ų11141.7 Ų41.759%0.59420%0.204SC*.Hα-helixtrans-56-43.5-173.9-73.3-38.2000112.9N360 Y361 E362D358-N360 PolarHBondContact O-N 3.15Å; D358-Y361 WeakPolarHBondContact O-CB 3.48Å; D358-Y361 PolarHBondContact O-N 3.14Å; D358-E362 WeakPolarHBondContact O-CG 3.4Å; D358-E362 PolarHBondContact O-N 2.89Å
359D93.7Very high96.7Very high24 Ų2447 Ų4713%0.12822%0.224CC..Hα-helixtrans-64.9-40.7179.6-69.9-26.3000112.2K246 P357 E362 I363K246-D359 VanDerWaalsContact CD-OD2 3.23Å; K246-D359 WeakPolarHBondContact CD-OD2 3.43Å; K246-D359 IonicContact NZ-OD1 3.82Å; K246-D359 PolarHBondContact NZ-OD1 2.88Å; K246-D359 IonicContact NZ-OD2 3.27Å; K246-D359 PolarHBondContact NZ-OD2 3.17Å; P357-D359 VanDerWaalsContact C-N 3.33Å; P357-D359 PolarHBondContact O-N 3.26Å; D359-E362 PolarHBondContact O-N 3.24Å; D359-I363 PolarHBondContact O-N 3.46Å
360N96.7Very high96.8Very high21 Ų2143.6 Ų43.611%0.11221%0.209CC..Hα-helixtrans-65.6-42.1174.4-65.863.7000111L324 L356 P357 D358 L364L324-N360 HydrophobicContact CD1-CB 4.21Å; L324-N360 WeakPolarHBondContact O-CB 3.49Å; L324-N360 PolarHBondContact O-ND2 3.13Å; L356-N360 HydrophobicContact CD1-CB 3.79Å; L356-N360 HydrophobicContact CD2-CB 4.24Å; L356-N360 HydrophobicContact CG-CB 3.76Å; P357-N360 HydrophobicContact CB-CB 4.41Å; P357-N360 WeakPolarHBondContact O-CB 2.87Å; P357-N360 PolarHBondContact O-N 3.27Å; P357-N360 VanDerWaalsContact O-N 3.11Å; D358-N360 PolarHBondContact O-N 3.15Å; N360-L364 WeakPolarHBondContact O-CB 2.86Å; N360-L364 PolarHBondContact O-N 2.85Å
361Y97.2Very high96.8Very high19 Ų1938 Ų388%0.07519%0.185CC..Hα-helixtrans-60.1-45.6176.7172.1-91.3000111.5I352 L353 P357 D358 L364 N365 F426I352-Y361 HydrophobicContact CG2-CD2 3.72Å; I352-Y361 HydrophobicContact CG2-CE2 3.8Å; L353-Y361 HydrophobicContact CD2-CD2 4.48Å; L353-Y361 HydrophobicContact CD2-CE2 3.58Å; P357-Y361 PolarHBondContact O-N 2.73Å; D358-Y361 WeakPolarHBondContact O-CB 3.48Å; D358-Y361 PolarHBondContact O-N 3.14Å; Y361-L364 PolarHBondContact O-N 3.16Å; Y361-N365 HydrophobicContact CE1-CB 4.38Å; Y361-N365 WeakPolarHBondContact O-CB 3.44Å; Y361-N365 PolarHBondContact O-N 3.11Å; Y361-F426 AromaticContact CE2-CD1 3.78Å; Y361-F426 HydrophobicContact CE2-CD1 3.78Å; Y361-F426 HydrophobicContact CE2-CE1 4.28Å; Y361-F426 PolarHBondContact OH-O 3.13Å
362E94.9Very high96.9Very high86 Ų8639.6 Ų39.640%0.40219%0.194SC..Hα-helixtrans-63.1-46.1-179-74.3-169.6-163.700112.3P253 D358 D359 N365 F366P253-E362 HydrophobicContact CB-CB 4.5Å; P253-E362 VanDerWaalsContact CB-OE2 3.31Å; P253-E362 WeakPolarHBondContact CB-OE2 3.44Å; P253-E362 WeakPolarHBondContact CG-OE2 3.3Å; D358-E362 WeakPolarHBondContact O-CG 3.4Å; D358-E362 PolarHBondContact O-N 2.89Å; D359-E362 PolarHBondContact O-N 3.24Å; E362-N365 PolarHBondContact O-N 3Å; E362-F366 WeakPolarHBondContact O-CB 3.45Å; E362-F366 PolarHBondContact O-N 3.35Å
363I96.8Very high96.9Very high0 Ų042.3 Ų42.30%021%0.207CC..Hα-helixtrans-66.1-43.2177.2-65.5160000110.8L242 P253 P255 F258 L324 D359 F366 L367L242-I363 HydrophobicContact CD1-CD1 3.69Å; L242-I363 HydrophobicContact CD2-CD1 3.48Å; L242-I363 VanDerWaalsContact CD2-CD1 3.48Å; L242-I363 HydrophobicContact CG-CD1 4.06Å; P253-I363 WeakPolarHBondContact O-CD1 3.45Å; P255-I363 HydrophobicContact CG-CD1 4.46Å; F258-I363 HydrophobicContact CD1-CG2 4.41Å; F258-I363 HydrophobicContact CE1-CG2 3.97Å; F258-I363 HydrophobicContact CE2-CG2 4.16Å; F258-I363 HydrophobicContact CZ-CG2 3.83Å; L324-I363 HydrophobicContact CD1-CB 4.01Å; L324-I363 HydrophobicContact CD1-CG2 3.93Å; L324-I363 HydrophobicContact CD2-CG2 3.96Å; D359-I363 PolarHBondContact O-N 3.46Å; I363-F366 PolarHBondContact O-N 3.5Å; I363-L367 WeakPolarHBondContact O-CB 3.48Å; I363-L367 PolarHBondContact O-N 3.15Å
364L98.1Very high97Very high0 Ų040.7 Ų40.70%020%0.199CC..Hα-helixtrans-62.7-46.3177.8-176.471.6000111L324 L325 I352 L356 N360 Y361 F366 L367 I368 L396 F426L324-L364 HydrophobicContact CD2-CB 4.03Å; L324-L364 HydrophobicContact CD2-CD1 3.93Å; L324-L364 HydrophobicContact CG-CB 4.38Å; L325-L364 HydrophobicContact CD2-CD1 4.18Å; L325-L364 HydrophobicContact CD2-CD2 3.56Å; I352-L364 HydrophobicContact CD1-CD2 3.58Å; I352-L364 HydrophobicContact CG1-CD2 4.42Å; I352-L364 HydrophobicContact CG2-CD2 4.39Å; L356-L364 HydrophobicContact CD2-CB 4.33Å; L356-L364 HydrophobicContact CD2-CD2 3.61Å; N360-L364 WeakPolarHBondContact O-CB 2.86Å; N360-L364 PolarHBondContact O-N 2.85Å; Y361-L364 PolarHBondContact O-N 3.16Å; L364-F366 VanDerWaalsContact C-N 3.33Å; L364-F366 PolarHBondContact O-N 3.33Å; L364-L367 PolarHBondContact O-N 2.93Å; L364-I368 HydrophobicContact CD1-CD1 4.22Å; L364-I368 HydrophobicContact CD1-CG1 3.93Å; L364-I368 HydrophobicContact CG-CG1 4.07Å; L364-I368 VanDerWaalsContact O-CG1 3.29Å; L364-I368 WeakPolarHBondContact O-CG1 3.42Å; L364-I368 PolarHBondContact O-N 3.35Å; L364-L396 HydrophobicContact CD1-CD2 4.12Å; L364-F426 HydrophobicContact CD2-CE1 3.97Å; L364-F426 HydrophobicContact CD2-CZ 3.83Å; L364-F426 HydrophobicContact CG-CE1 4.02Å; L364-F426 HydrophobicContact CG-CZ 3.91Å
365N97.7Very high97.2Very high36 Ų3634.9 Ų34.919%0.19317%0.172CC..Hα-helixtrans-59.1-46177-175.535.4000111Y361 E362 L367 I368 R369 Y422 F426Y361-N365 HydrophobicContact CE1-CB 4.38Å; Y361-N365 WeakPolarHBondContact O-CB 3.44Å; Y361-N365 PolarHBondContact O-N 3.11Å; E362-N365 PolarHBondContact O-N 3Å; N365-L367 VanDerWaalsContact C-N 3.33Å; N365-L367 PolarHBondContact O-N 3.1Å; N365-I368 PolarHBondContact O-N 2.85Å; N365-R369 VanDerWaalsContact O-CB 3.24Å; N365-R369 WeakPolarHBondContact O-CB 3.16Å; N365-R369 PolarHBondContact O-N 2.66Å; N365-Y422 VanDerWaalsContact OD1-CE2 3.29Å; N365-Y422 WeakPolarHBondContact OD1-CE2 3.37Å; N365-Y422 PolarHBondContact OD1-OH 2.96Å; N365-F426 HydrophobicContact CB-CD1 3.67Å; N365-F426 HydrophobicContact CB-CE1 4Å; N365-F426 WeakPolarHBondContact OD1-CB 3.34Å; N365-F426 WeakPolarHBondContact OD1-CD1 3.42Å
366F96.7Very high97.3Very high25 Ų2535 Ų3511%0.1118%0.181CC..Hα-helixtrans-59.1-44.3177.2-169.2-105.3000112I254 F258 I262 E362 I363 L364 F370I254-F366 HydrophobicContact CD1-CB 4.06Å; I254-F366 HydrophobicContact CD1-CD1 4.18Å; I254-F366 HydrophobicContact CD1-CD2 3.61Å; I254-F366 HydrophobicContact CD1-CE2 4.03Å; I254-F366 HydrophobicContact CD1-CG 3.7Å; I254-F366 HydrophobicContact CD1-CZ 4.46Å; I254-F366 HydrophobicContact CG2-CD1 4.22Å; I254-F366 HydrophobicContact CG2-CE1 4.32Å; F258-F366 AromaticContact CD1-CD1 3.83Å; F258-F366 HydrophobicContact CD1-CD1 3.83Å; F258-F366 HydrophobicContact CD1-CE1 4.28Å; F258-F366 AromaticContact CE1-CD1 3.99Å; F258-F366 HydrophobicContact CE1-CD1 3.99Å; I262-F366 HydrophobicContact CB-CE1 4.15Å; I262-F366 HydrophobicContact CD1-CD1 3.61Å; I262-F366 HydrophobicContact CD1-CE1 3.53Å; I262-F366 HydrophobicContact CG1-CE1 4.4Å; I262-F366 HydrophobicContact CG2-CE1 4.03Å; I262-F366 HydrophobicContact CG2-CZ 4.3Å; E362-F366 WeakPolarHBondContact O-CB 3.45Å; E362-F366 PolarHBondContact O-N 3.35Å; I363-F366 PolarHBondContact O-N 3.5Å; L364-F366 VanDerWaalsContact C-N 3.33Å; L364-F366 PolarHBondContact O-N 3.33Å; F366-F370 PolarHBondContact O-N 3.23Å
367L98.3Very high97.4Very high0 Ų038.5 Ų38.50%019%0.194CC..Hα-helixtrans-65.3-55176.8179.463.4000112.6F258 L313 L317 I363 L364 N365 R369 F370 L371 F392 L396F258-L367 HydrophobicContact CE1-CB 3.95Å; F258-L367 HydrophobicContact CE1-CD1 4.35Å; F258-L367 HydrophobicContact CZ-CB 3.82Å; F258-L367 HydrophobicContact CZ-CD1 3.89Å; F258-L367 HydrophobicContact CZ-CD2 4.22Å; F258-L367 HydrophobicContact CZ-CG 4.17Å; L313-L367 HydrophobicContact CD2-CD1 3.97Å; L317-L367 HydrophobicContact CD1-CD2 3.67Å; I363-L367 WeakPolarHBondContact O-CB 3.48Å; I363-L367 PolarHBondContact O-N 3.15Å; L364-L367 PolarHBondContact O-N 2.93Å; N365-L367 VanDerWaalsContact C-N 3.33Å; N365-L367 PolarHBondContact O-N 3.1Å; L367-R369 VanDerWaalsContact C-N 3.27Å; L367-R369 PolarHBondContact O-N 3.27Å; L367-F370 CarbonylContact O-C 3.53Å; L367-F370 WeakPolarHBondContact O-CB 3.23Å; L367-F370 PolarHBondContact O-N 3.17Å; L367-L371 HydrophobicContact CD1-CD1 4.22Å; L367-L371 HydrophobicContact CD1-CD2 4.33Å; L367-L371 HydrophobicContact CD1-CG 4.06Å; L367-L371 HydrophobicContact CG-CD1 4.08Å; L367-L371 HydrophobicContact CG-CG 4.23Å; L367-L371 WeakPolarHBondContact O-CG 3.38Å; L367-L371 PolarHBondContact O-N 3.4Å; L367-F392 HydrophobicContact CD1-CE1 3.93Å; L367-F392 HydrophobicContact CD1-CZ 4.36Å; L367-F392 HydrophobicContact CD2-CD1 4.29Å; L367-F392 HydrophobicContact CD2-CE1 4.31Å; L367-L396 HydrophobicContact CD2-CD2 3.64Å
368I98.5Very high97.4Very high0 Ų037.6 Ų37.60%019%0.189CC..Hα-helixtrans-64.8-35-173.9-61.1-56.7000110.6L364 N365 F370 L371 T372 L418 I419 Y422 F426L364-I368 HydrophobicContact CD1-CD1 4.22Å; L364-I368 HydrophobicContact CD1-CG1 3.93Å; L364-I368 HydrophobicContact CG-CG1 4.07Å; L364-I368 VanDerWaalsContact O-CG1 3.29Å; L364-I368 WeakPolarHBondContact O-CG1 3.42Å; L364-I368 PolarHBondContact O-N 3.35Å; N365-I368 PolarHBondContact O-N 2.85Å; I368-F370 VanDerWaalsContact C-N 3.35Å; I368-F370 PolarHBondContact O-N 3.38Å; I368-L371 HydrophobicContact CD1-CD1 4.28Å; I368-L371 PolarHBondContact O-N 2.82Å; I368-T372 WeakPolarHBondContact O-CB 3.47Å; I368-T372 PolarHBondContact O-N 3.29Å; I368-T372 PolarHBondContact O-OG1 2.94Å; I368-L418 HydrophobicContact CD1-CB 4.12Å; I368-L418 HydrophobicContact CD1-CD1 4.39Å; I368-L418 HydrophobicContact CG1-CB 4.29Å; I368-L418 HydrophobicContact CG2-CB 4.24Å; I368-L418 WeakPolarHBondContact CG2-O 3.41Å; I368-I419 HydrophobicContact CD1-CG1 4.27Å; I368-I419 HydrophobicContact CG2-CG1 4.4Å; I368-Y422 HydrophobicContact CB-CD2 4.17Å; I368-Y422 HydrophobicContact CG2-CD2 3.68Å; I368-Y422 HydrophobicContact CG2-CG 4.4Å; I368-F426 HydrophobicContact CB-CE2 4.08Å; I368-F426 HydrophobicContact CB-CZ 4.12Å; I368-F426 HydrophobicContact CG1-CE2 4.17Å; I368-F426 HydrophobicContact CG1-CZ 3.87Å; I368-F426 HydrophobicContact CG2-CD2 4.49Å; I368-F426 HydrophobicContact CG2-CE2 3.89Å; I368-F426 HydrophobicContact CG2-CZ 4.42Å
369R98Very high97.5Very high112 Ų11240.3 Ų40.342%0.42320%0.199SC..Hα-helixtrans-56.9-48.8170.8-174.117360.4177.90.3111.6N365 L367 T372 E373 Y422N365-R369 VanDerWaalsContact O-CB 3.24Å; N365-R369 WeakPolarHBondContact O-CB 3.16Å; N365-R369 PolarHBondContact O-N 2.66Å; L367-R369 VanDerWaalsContact C-N 3.27Å; L367-R369 PolarHBondContact O-N 3.27Å; R369-T372 WeakPolarHBondContact O-CB 3.28Å; R369-T372 PolarHBondContact O-N 3.36Å; R369-E373 PolarHBondContact O-N 2.97Å; R369-Y422 HydrophobicContact CB-CE1 4.32Å; R369-Y422 HydrophobicContact CB-CE2 3.66Å; R369-Y422 WeakPolarHBondContact CD-OH 3.01Å; R369-Y422 HydrophobicContact CG-CE1 4.17Å; R369-Y422 HydrophobicContact CG-CE2 4.39Å
370F98.5Very high97.7Very high1 Ų144.6 Ų44.60%0.00422%0.218CC..Hα-helixtrans-67.2-39.2177.9166.4-105.4000112.5I262 L265 R266 L270 F276 L313 F366 L367 I368 T372 E373 V374I262-F370 HydrophobicContact CD1-CB 4.32Å; I262-F370 HydrophobicContact CD1-CD1 4.06Å; I262-F370 HydrophobicContact CD1-CG 4.3Å; I262-F370 HydrophobicContact CG1-CD1 3.83Å; I262-F370 HydrophobicContact CG1-CE1 4.13Å; I262-F370 HydrophobicContact CG1-CG 4.15Å; I262-F370 HydrophobicContact CG2-CB 4.14Å; I262-F370 HydrophobicContact CG2-CD1 4.32Å; I262-F370 HydrophobicContact CG2-CD2 3.79Å; I262-F370 HydrophobicContact CG2-CE2 4.31Å; I262-F370 HydrophobicContact CG2-CG 3.8Å; L265-F370 HydrophobicContact CB-CE2 4.17Å; L265-F370 HydrophobicContact CB-CZ 3.63Å; L265-F370 HydrophobicContact CD1-CE1 4.37Å; L265-F370 HydrophobicContact CD1-CZ 4.18Å; R266-F370 HydrophobicContact CG-CD2 3.98Å; R266-F370 HydrophobicContact CG-CE2 3.89Å; L270-F370 HydrophobicContact CD2-CE2 4.13Å; F276-F370 HydrophobicContact CE2-CE1 4.07Å; F276-F370 HydrophobicContact CE2-CZ 4.36Å; F276-F370 AromaticContact CZ-CE1 3.58Å; F276-F370 HydrophobicContact CZ-CE1 3.58Å; F276-F370 HydrophobicContact CZ-CZ 4.03Å; L313-F370 HydrophobicContact CD2-CE1 4.43Å; F366-F370 PolarHBondContact O-N 3.23Å; L367-F370 CarbonylContact O-C 3.53Å; L367-F370 WeakPolarHBondContact O-CB 3.23Å; L367-F370 PolarHBondContact O-N 3.17Å; I368-F370 VanDerWaalsContact C-N 3.35Å; I368-F370 PolarHBondContact O-N 3.38Å; F370-T372 VanDerWaalsContact C-N 3.29Å; F370-T372 PolarHBondContact O-N 3.45Å; F370-E373 VanDerWaalsContact O-CB 3.3Å; F370-E373 WeakPolarHBondContact O-CB 3.35Å; F370-E373 PolarHBondContact O-N 2.79Å; F370-E373 VanDerWaalsContact O-N 3.15Å; F370-V374 HydrophobicContact CD1-CG2 4.47Å; F370-V374 HydrophobicContact CD2-CG2 4.39Å; F370-V374 HydrophobicContact CE1-CG2 3.94Å; F370-V374 HydrophobicContact CE2-CG2 3.84Å; F370-V374 HydrophobicContact CZ-CG2 3.58Å; F370-V374 WeakPolarHBondContact O-CG2 3.23Å; F370-V374 PolarHBondContact O-N 3.29Å
371L98.6Very high97.8Very high0 Ų043.6 Ų43.60%021%0.213CC..Hα-helixtrans-64-36.8174.4-64.7-174.3000111.9F276 L367 I368 E373 V374 T375 L388 F392 I419F276-L371 HydrophobicContact CE2-CD2 4.25Å; F276-L371 HydrophobicContact CZ-CD2 4.48Å; L367-L371 HydrophobicContact CD1-CD1 4.22Å; L367-L371 HydrophobicContact CD1-CD2 4.33Å; L367-L371 HydrophobicContact CD1-CG 4.06Å; L367-L371 HydrophobicContact CG-CD1 4.08Å; L367-L371 HydrophobicContact CG-CG 4.23Å; L367-L371 WeakPolarHBondContact O-CG 3.38Å; L367-L371 PolarHBondContact O-N 3.4Å; I368-L371 HydrophobicContact CD1-CD1 4.28Å; I368-L371 PolarHBondContact O-N 2.82Å; L371-E373 VanDerWaalsContact C-N 3.32Å; L371-V374 WeakPolarHBondContact O-CB 3.3Å; L371-V374 PolarHBondContact O-N 3.33Å; L371-T375 WeakPolarHBondContact O-CG2 3.36Å; L371-T375 PolarHBondContact O-N 3.5Å; L371-T375 VanDerWaalsContact O-N 3.1Å; L371-L388 HydrophobicContact CB-CD1 4.29Å; L371-L388 HydrophobicContact CD2-CD2 4.44Å; L371-F392 HydrophobicContact CD1-CB 4.48Å; L371-F392 HydrophobicContact CD1-CD1 4.16Å; L371-F392 HydrophobicContact CD1-CD2 3.75Å; L371-F392 HydrophobicContact CD1-CE1 4.34Å; L371-F392 HydrophobicContact CD1-CE2 3.95Å; L371-F392 HydrophobicContact CD1-CG 3.87Å; L371-F392 HydrophobicContact CD1-CZ 4.24Å; L371-F392 HydrophobicContact CD2-CD2 4.06Å; L371-F392 HydrophobicContact CD2-CE1 4.46Å; L371-F392 HydrophobicContact CD2-CE2 3.43Å; L371-F392 VanDerWaalsContact CD2-CE2 3.43Å; L371-F392 HydrophobicContact CD2-CZ 3.67Å; L371-F392 HydrophobicContact CG-CE2 4.35Å; L371-I419 HydrophobicContact CB-CD1 4.28Å; L371-I419 HydrophobicContact CB-CG1 4.23Å; L371-I419 HydrophobicContact CD1-CD1 4.11Å; L371-I419 HydrophobicContact CD1-CG1 4.45Å
372T98.3Very high97.8Very high34 Ų3448 Ų4821%0.20923%0.232CC..Hα-helixtrans-61.7-42.6173-53.70000110.6I368 R369 F370 T375 T376 I419I368-T372 WeakPolarHBondContact O-CB 3.47Å; I368-T372 PolarHBondContact O-N 3.29Å; I368-T372 PolarHBondContact O-OG1 2.94Å; R369-T372 WeakPolarHBondContact O-CB 3.28Å; R369-T372 PolarHBondContact O-N 3.36Å; F370-T372 VanDerWaalsContact C-N 3.29Å; F370-T372 PolarHBondContact O-N 3.45Å; T372-T375 PolarHBondContact O-N 3.05Å; T372-T375 PolarHBondContact O-OG1 3.39Å; T372-T376 PolarHBondContact O-N 3.47Å; T372-I419 PolarHBondContact OG1-O 3.25Å
373E98.4Very high97.9Very high58 Ų5844 Ų4427%0.27121%0.213SC..Hα-helixtrans-58.8-46.7172.7-175.6-178.3-178.400111.9R266 L270 R369 F370 L371 T375 T376 Y377R266-E373 IonicContact CZ-OE2 2.68Å; R266-E373 IonicContact NE-OE1 3.05Å; R266-E373 IonicContact NE-OE2 2.63Å; R266-E373 PolarHBondContact NE-OE2 3.21Å; R266-E373 IonicContact NH2-OE2 3.54Å; R266-E373 PolarHBondContact NH2-OE2 3.45Å; L270-E373 HydrophobicContact CD2-CG 4.33Å; R369-E373 PolarHBondContact O-N 2.97Å; F370-E373 VanDerWaalsContact O-CB 3.3Å; F370-E373 WeakPolarHBondContact O-CB 3.35Å; F370-E373 PolarHBondContact O-N 2.79Å; F370-E373 VanDerWaalsContact O-N 3.15Å; L371-E373 VanDerWaalsContact C-N 3.32Å; E373-T375 PolarHBondContact O-N 3.48Å; E373-T376 WeakPolarHBondContact O-CB 3.26Å; E373-T376 PolarHBondContact O-N 3.13Å; E373-T376 PolarHBondContact O-OG1 2.85Å; E373-Y377 WeakPolarHBondContact O-CD2 3.4Å
374V98.5Very high98Very high2 Ų247.3 Ų47.31%0.01223%0.231CC..Hα-helixtrans-55.9-37.9175.7174.40000111.7L270 I275 F276 F370 L371 T376 Y377 N381 M383 L388L270-V374 HydrophobicContact CD2-CG2 3.94Å; I275-V374 HydrophobicContact CG2-CG1 4.07Å; F276-V374 HydrophobicContact CE2-CG1 4.45Å; F276-V374 HydrophobicContact CE2-CG2 4.11Å; F370-V374 HydrophobicContact CD1-CG2 4.47Å; F370-V374 HydrophobicContact CD2-CG2 4.39Å; F370-V374 HydrophobicContact CE1-CG2 3.94Å; F370-V374 HydrophobicContact CE2-CG2 3.84Å; F370-V374 HydrophobicContact CZ-CG2 3.58Å; F370-V374 WeakPolarHBondContact O-CG2 3.23Å; F370-V374 PolarHBondContact O-N 3.29Å; L371-V374 WeakPolarHBondContact O-CB 3.3Å; L371-V374 PolarHBondContact O-N 3.33Å; V374-T376 PolarHBondContact O-N 3.23Å; V374-Y377 PolarHBondContact O-N 3.12Å; V374-Y377 VanDerWaalsContact O-N 3.13Å; V374-N381 PolarHBondContact O-ND2 3.45Å; V374-M383 HydrophobicContact CG1-CB 4.44Å; V374-L388 HydrophobicContact CB-CD1 4.24Å; V374-L388 HydrophobicContact CG1-CD1 4.06Å; V374-L388 HydrophobicContact CG1-CD2 4.3Å
375T98.3Very high98Very high32 Ų3248 Ų4820%0.19624%0.237CC..Hα-helixtrans-65.5-23.5177.968.60000113.7L371 T372 E373 Y377 S378 A385 L388 I419L371-T375 WeakPolarHBondContact O-CG2 3.36Å; L371-T375 PolarHBondContact O-N 3.5Å; L371-T375 VanDerWaalsContact O-N 3.1Å; T372-T375 PolarHBondContact O-N 3.05Å; T372-T375 PolarHBondContact O-OG1 3.39Å; E373-T375 PolarHBondContact O-N 3.48Å; T375-Y377 PolarHBondContact O-N 3.43Å; T375-S378 VanDerWaalsContact O-CB 3.23Å; T375-S378 WeakPolarHBondContact O-CB 3.29Å; T375-S378 PolarHBondContact O-N 3.28Å; T375-S378 VanDerWaalsContact O-N 3.12Å; T375-S378 PolarHBondContact O-OG 2.84Å; T375-A385 HydrophobicContact CG2-CB 4.2Å; T375-L388 HydrophobicContact CG2-CD1 3.6Å; T375-I419 HydrophobicContact CG2-CG2 3.84Å
376T98.2Very high98Very high102 Ų10247.9 Ų47.963%0.62624%0.241SC*.Hα-helixtrans-67.6-18.9176.672.90000112.3T372 E373 V374T372-T376 PolarHBondContact O-N 3.47Å; E373-T376 WeakPolarHBondContact O-CB 3.26Å; E373-T376 PolarHBondContact O-N 3.13Å; E373-T376 PolarHBondContact O-OG1 2.85Å; V374-T376 PolarHBondContact O-N 3.23Å
377Y98.4Very high98Very high84 Ų8449.6 Ų49.633%0.32925%0.251SS..THydrogen-bonded Turntrans-101.413.1176.2-63.5-95.4000113.1L270 T271 E373 V374 T375 Q379 Q380 N381L270-Y377 HydrophobicContact CB-CD1 4.3Å; L270-Y377 HydrophobicContact CB-CD2 3.96Å; L270-Y377 HydrophobicContact CB-CE1 4.41Å; L270-Y377 HydrophobicContact CB-CE2 4.12Å; L270-Y377 HydrophobicContact CB-CG 4.07Å; L270-Y377 HydrophobicContact CD1-CD2 4.33Å; L270-Y377 HydrophobicContact CD1-CE2 3.73Å; L270-Y377 HydrophobicContact CD2-CD2 4.29Å; L270-Y377 HydrophobicContact CD2-CE2 4.39Å; L270-Y377 HydrophobicContact CG-CD2 4.42Å; L270-Y377 HydrophobicContact CG-CE2 4.3Å; L270-Y377 WeakPolarHBondContact O-CB 3.49Å; T271-Y377 HydrophobicContact CG2-CD1 3.76Å; T271-Y377 HydrophobicContact CG2-CE1 4.23Å; E373-Y377 WeakPolarHBondContact O-CD2 3.4Å; V374-Y377 PolarHBondContact O-N 3.12Å; V374-Y377 VanDerWaalsContact O-N 3.13Å; T375-Y377 PolarHBondContact O-N 3.43Å; Y377-Q379 PolarHBondContact O-N 2.98Å; Y377-Q380 PolarHBondContact O-N 2.96Å; Y377-N381 WeakPolarHBondContact CB-ND2 3.18Å; Y377-N381 PolarHBondContact O-N 3.48Å; Y377-N381 PolarHBondContact O-ND2 3.21Å; Y377-N381 PolarHBondContact O-OD1 3.35Å
378S97.4Very high98Very high42 Ų4249.6 Ų49.629%0.29425%0.251SS..Hα-helixtrans-58.3-24.4-172.270.40000114.8T375 Q380 N381 K382T375-S378 VanDerWaalsContact O-CB 3.23Å; T375-S378 WeakPolarHBondContact O-CB 3.29Å; T375-S378 PolarHBondContact O-N 3.28Å; T375-S378 VanDerWaalsContact O-N 3.12Å; T375-S378 PolarHBondContact O-OG 2.84Å; S378-Q380 VanDerWaalsContact C-N 3.31Å; S378-Q380 PolarHBondContact O-N 3.29Å; S378-N381 VanDerWaalsContact CA-OD1 3.3Å; S378-N381 WeakPolarHBondContact CA-OD1 3.23Å; S378-K382 WeakPolarHBondContact O-CA 3.31Å; S378-K382 PolarHBondContact O-N 3.01Å
379Q97.5Very high98Very high169 Ų16949.6 Ų49.679%0.7925%0.251SS*.Hα-helixtrans-65.6-34.5175.5-64.7-175.610.300112.4Y377 K382Y377-Q379 PolarHBondContact O-N 2.98Å; Q379-K382 PolarHBondContact O-NZ 2.83Å
380Q97.8Very high97.7Very high114 Ų11448.3 Ų48.353%0.53326%0.256SS..Hα-helixtrans-91.4-56.8179.5-64.3177.159.500110.6Y377 S378 K382Y377-Q380 PolarHBondContact O-N 2.96Å; S378-Q380 VanDerWaalsContact C-N 3.31Å; S378-Q380 PolarHBondContact O-N 3.29Å; Q380-K382 VanDerWaalsContact C-N 3.31Å; Q380-K382 PolarHBondContact O-N 3.47Å
381N98Very high97.4Very high0 Ų049.3 Ų49.30%026%0.262CS..Hα-helixtrans-77.8-11.9-173.870.430.8000114.3L270 T272 G274 I275 V374 Y377 S378 M383L270-N381 WeakPolarHBondContact O-CB 3.43Å; L270-N381 PolarHBondContact O-ND2 2.88Å; T272-N381 VanDerWaalsContact O-CB 3.26Å; T272-N381 WeakPolarHBondContact O-CB 3.4Å; G274-N381 PolarHBondContact N-O 3.05Å; I275-N381 HydrophobicContact CG2-CB 4.13Å; V374-N381 PolarHBondContact O-ND2 3.45Å; Y377-N381 WeakPolarHBondContact CB-ND2 3.18Å; Y377-N381 PolarHBondContact O-N 3.48Å; Y377-N381 PolarHBondContact O-ND2 3.21Å; Y377-N381 PolarHBondContact O-OD1 3.35Å; S378-N381 VanDerWaalsContact CA-OD1 3.3Å; S378-N381 WeakPolarHBondContact CA-OD1 3.23Å; N381-M383 VanDerWaalsContact C-N 3.26Å; N381-M383 PolarHBondContact O-N 3.31Å; N381-M383 WeakPolarHBondContact OD1-CA 3.46Å; N381-M383 WeakPolarHBondContact OD1-CB 3.41Å; N381-M383 PolarHBondContact OD1-N 2.99Å
382K97.2Very high97.3Very high111 Ų11149.3 Ų49.348%0.48326%0.262SS..  trans6516.2-178.3-47.1-57.7-178.7-171.10115.7E273 S378 Q379 Q380 N387E273-K382 HydrophobicContact CG-CG 3.95Å; S378-K382 WeakPolarHBondContact O-CA 3.31Å; S378-K382 PolarHBondContact O-N 3.01Å; Q379-K382 PolarHBondContact O-NZ 2.83Å; Q380-K382 VanDerWaalsContact C-N 3.31Å; Q380-K382 PolarHBondContact O-N 3.47Å; K382-N387 PolarHBondContact O-ND2 3.04Å
383M97.6Very high97.1Very high2 Ų247.7 Ų47.71%0.0125%0.252CS..  trans-111.386.5-177.3-62-59.4-64.900111.6I275 R277 V374 N381 N387 L388 V391I275-M383 HydrophobicContact CG2-CG 4.01Å; I275-M383 WeakPolarHBondContact O-CE 3.5Å; I275-M383 VanDerWaalsContact O-CG 3.23Å; I275-M383 WeakPolarHBondContact O-CG 3.47Å; R277-M383 HydrophobicContact CB-CE 4.2Å; R277-M383 HydrophobicContact CB-SD 3.9Å; V374-M383 HydrophobicContact CG1-CB 4.44Å; N381-M383 VanDerWaalsContact C-N 3.26Å; N381-M383 PolarHBondContact O-N 3.31Å; N381-M383 WeakPolarHBondContact OD1-CA 3.46Å; N381-M383 WeakPolarHBondContact OD1-CB 3.41Å; N381-M383 PolarHBondContact OD1-N 2.99Å; M383-N387 HydrophobicContact CE-CB 3.79Å; M383-N387 HydrophobicContact SD-CB 4.01Å; M383-L388 HydrophobicContact CB-CD2 3.97Å; M383-L388 HydrophobicContact CB-CG 4.09Å; M383-L388 HydrophobicContact CE-CD2 3.74Å; M383-L388 HydrophobicContact CE-CG 4.23Å; M383-V391 HydrophobicContact CE-CG2 4.14Å
384N98.1Very high96.6Very high70 Ų7047.1 Ų47.137%0.37425%0.253SS..  trans-76.7175.4167.766.123.9000111.2A386 N387 L388N384-A386 VanDerWaalsContact C-N 3.28Å; N384-A386 PolarHBondContact O-N 3.49Å; N384-A386 PolarHBondContact OD1-N 2.93Å; N384-N387 PolarHBondContact O-N 3.02Å; N384-N387 WeakPolarHBondContact OD1-CB 3.3Å; N384-N387 VanDerWaalsContact OD1-CG 3.3Å; N384-N387 PolarHBondContact OD1-N 3.31Å; N384-L388 PolarHBondContact O-N 3.2Å
385A98.1Very high96.3Very high14 Ų1447.3 Ų47.312%0.11625%0.254CS..Hα-helixtrans-57.1-37.6-178.500000113.4T375 A389 Q416 I419 T420T375-A385 HydrophobicContact CG2-CB 4.2Å; A385-A389 VanDerWaalsContact O-CB 3.24Å; A385-A389 WeakPolarHBondContact O-CB 3.38Å; A385-A389 PolarHBondContact O-N 3.49Å; A385-Q416 HydrophobicContact CB-CG 4.19Å; A385-I419 HydrophobicContact CB-CB 4.22Å; A385-I419 HydrophobicContact CB-CG2 3.81Å; A385-T420 WeakPolarHBondContact CB-OG1 3.42Å
386A97.5Very high96.1Very high33 Ų3345.8 Ų45.827%0.27325%0.245SC..Hα-helixtrans-65.9-45.7177.300000111.7N384 L388 A389 V390N384-A386 VanDerWaalsContact C-N 3.28Å; N384-A386 PolarHBondContact O-N 3.49Å; N384-A386 PolarHBondContact OD1-N 2.93Å; A386-L388 PolarHBondContact O-N 3.28Å; A386-A389 WeakPolarHBondContact O-CB 3.46Å; A386-A389 PolarHBondContact O-N 3.27Å; A386-V390 WeakPolarHBondContact O-CG2 3.3Å; A386-V390 PolarHBondContact O-N 2.85Å; A386-V390 VanDerWaalsContact O-N 3.13Å
387N96.8Very high95.9Very high61 Ų6141 Ų4133%0.32622%0.215SC..Hα-helixtrans-63.7-41.3178.1-70.5-10.8000111.8K382 M383 N384K382-N387 PolarHBondContact O-ND2 3.04Å; M383-N387 HydrophobicContact CE-CB 3.79Å; M383-N387 HydrophobicContact SD-CB 4.01Å; N384-N387 PolarHBondContact O-N 3.02Å; N384-N387 WeakPolarHBondContact OD1-CB 3.3Å; N384-N387 VanDerWaalsContact OD1-CG 3.3Å; N384-N387 PolarHBondContact OD1-N 3.31Å
388L98.1Very high95.3Very high0 Ų038.8 Ų38.80%021%0.207CC..Hα-helixtrans-65.1-41.3175.2-71.1173.9000111.4F276 L371 V374 T375 M383 N384 A386 V390 V391 F392 I419F276-L388 HydrophobicContact CB-CD2 4.36Å; F276-L388 HydrophobicContact CD2-CD2 3.7Å; F276-L388 HydrophobicContact CG-CD2 4.34Å; L371-L388 HydrophobicContact CB-CD1 4.29Å; L371-L388 HydrophobicContact CD2-CD2 4.44Å; V374-L388 HydrophobicContact CB-CD1 4.24Å; V374-L388 HydrophobicContact CG1-CD1 4.06Å; V374-L388 HydrophobicContact CG1-CD2 4.3Å; T375-L388 HydrophobicContact CG2-CD1 3.6Å; M383-L388 HydrophobicContact CB-CD2 3.97Å; M383-L388 HydrophobicContact CB-CG 4.09Å; M383-L388 HydrophobicContact CE-CD2 3.74Å; M383-L388 HydrophobicContact CE-CG 4.23Å; N384-L388 PolarHBondContact O-N 3.2Å; A386-L388 PolarHBondContact O-N 3.28Å; L388-V390 VanDerWaalsContact C-N 3.34Å; L388-V390 PolarHBondContact O-N 2.93Å; L388-V391 WeakPolarHBondContact O-CG2 3.46Å; L388-V391 PolarHBondContact O-N 3.25Å; L388-F392 HydrophobicContact CD2-CE2 4.39Å; L388-F392 WeakPolarHBondContact O-CB 3.26Å; L388-F392 PolarHBondContact O-N 3.08Å; L388-I419 HydrophobicContact CB-CD1 3.85Å
389A97.6Very high94.4Very high1 Ų138 Ų381%0.00820%0.201CC..Hα-helixtrans-61.2-40.6179.300000113.1A385 A386 V391 F392 G393 N412 T415 Q416A385-A389 VanDerWaalsContact O-CB 3.24Å; A385-A389 WeakPolarHBondContact O-CB 3.38Å; A385-A389 PolarHBondContact O-N 3.49Å; A386-A389 WeakPolarHBondContact O-CB 3.46Å; A386-A389 PolarHBondContact O-N 3.27Å; A389-V391 VanDerWaalsContact C-N 3.29Å; A389-V391 PolarHBondContact O-N 3.22Å; A389-F392 PolarHBondContact O-N 3.2Å; A389-G393 WeakPolarHBondContact O-CA 3.23Å; A389-G393 PolarHBondContact O-N 3.19Å; A389-N412 VanDerWaalsContact CB-O 3.32Å; A389-N412 WeakPolarHBondContact CB-O 3.24Å; A389-N412 PolarHBondContact O-OD1 3.33Å; A389-T415 HydrophobicContact CB-CG2 4.04Å; A389-Q416 HydrophobicContact CB-CB 3.69Å
390V92.7Very high93.3Very high85 Ų8538.1 Ų38.152%0.51519%0.194SC..Hα-helixtrans-61.1-36.9176.4171.70000112.2A386 L388A386-V390 WeakPolarHBondContact O-CG2 3.3Å; A386-V390 PolarHBondContact O-N 2.85Å; A386-V390 VanDerWaalsContact O-N 3.13Å; L388-V390 VanDerWaalsContact C-N 3.34Å; L388-V390 PolarHBondContact O-N 2.93Å
391V92.8Very high91.9Very high22 Ų2238.5 Ų38.513%0.13320%0.2CC..Hα-helixtrans-88.5-24.1-177.6-600000113.7F276 M383 L388 A389F276-V391 HydrophobicContact CB-CG2 3.85Å; M383-V391 HydrophobicContact CE-CG2 4.14Å; L388-V391 WeakPolarHBondContact O-CG2 3.46Å; L388-V391 PolarHBondContact O-N 3.25Å; A389-V391 VanDerWaalsContact C-N 3.29Å; A389-V391 PolarHBondContact O-N 3.22Å
392F96.6Very high89.8Confident0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-96.1-33.1179.4-86.8-83.6000113.9F276 L313 K314 L317 L367 L371 L388 A389 S395 L396 T415F276-F392 HydrophobicContact CB-CE2 3.96Å; F276-F392 AromaticContact CD1-CE2 3.49Å; F276-F392 HydrophobicContact CD1-CE2 3.49Å; F276-F392 VanDerWaalsContact CD1-CE2 3.49Å; F276-F392 AromaticContact CD1-CZ 3.42Å; F276-F392 HydrophobicContact CD1-CZ 3.42Å; F276-F392 VanDerWaalsContact CD1-CZ 3.42Å; F276-F392 HydrophobicContact CD2-CE2 4.01Å; F276-F392 HydrophobicContact CE1-CE2 4.02Å; F276-F392 AromaticContact CE1-CZ 3.6Å; F276-F392 HydrophobicContact CE1-CZ 3.6Å; F276-F392 HydrophobicContact CE2-CE2 4.47Å; F276-F392 AromaticContact CG-CE2 3.52Å; F276-F392 HydrophobicContact CG-CE2 3.52Å; F276-F392 AromaticContact CG-CZ 3.97Å; F276-F392 HydrophobicContact CG-CZ 3.97Å; F276-F392 HydrophobicContact CZ-CE2 4.49Å; F276-F392 HydrophobicContact CZ-CZ 4.27Å; L313-F392 HydrophobicContact CD2-CZ 4.43Å; K314-F392 HydrophobicContact CG-CD1 4.32Å; K314-F392 HydrophobicContact CG-CE1 3.83Å; K314-F392 HydrophobicContact CG-CE2 4.44Å; K314-F392 HydrophobicContact CG-CZ 3.89Å; L317-F392 HydrophobicContact CD1-CD1 4.02Å; L317-F392 HydrophobicContact CD1-CE1 3.92Å; L367-F392 HydrophobicContact CD1-CE1 3.93Å; L367-F392 HydrophobicContact CD1-CZ 4.36Å; L367-F392 HydrophobicContact CD2-CD1 4.29Å; L367-F392 HydrophobicContact CD2-CE1 4.31Å; L371-F392 HydrophobicContact CD1-CB 4.48Å; L371-F392 HydrophobicContact CD1-CD1 4.16Å; L371-F392 HydrophobicContact CD1-CD2 3.75Å; L371-F392 HydrophobicContact CD1-CE1 4.34Å; L371-F392 HydrophobicContact CD1-CE2 3.95Å; L371-F392 HydrophobicContact CD1-CG 3.87Å; L371-F392 HydrophobicContact CD1-CZ 4.24Å; L371-F392 HydrophobicContact CD2-CD2 4.06Å; L371-F392 HydrophobicContact CD2-CE1 4.46Å; L371-F392 HydrophobicContact CD2-CE2 3.43Å; L371-F392 VanDerWaalsContact CD2-CE2 3.43Å; L371-F392 HydrophobicContact CD2-CZ 3.67Å; L371-F392 HydrophobicContact CG-CE2 4.35Å; L388-F392 HydrophobicContact CD2-CE2 4.39Å; L388-F392 WeakPolarHBondContact O-CB 3.26Å; L388-F392 PolarHBondContact O-N 3.08Å; A389-F392 PolarHBondContact O-N 3.2Å; F392-S395 CarbonylContact O-C 3.51Å; F392-S395 WeakPolarHBondContact O-CA 3.46Å; F392-S395 WeakPolarHBondContact O-CB 3.18Å; F392-S395 PolarHBondContact O-N 3.19Å; F392-L396 HydrophobicContact CB-CD1 4.3Å; F392-L396 HydrophobicContact CB-CG 4.49Å; F392-L396 WeakPolarHBondContact O-CG 3.47Å; F392-L396 PolarHBondContact O-N 2.87Å; F392-T415 HydrophobicContact CB-CG2 4.25Å
393G92.5Very high88Confident0 Ų039 Ų390%021%0.206CC..Hα-helixtrans-48-53.5-176.400000113.5A389 S395 L396 I397 I411 T415A389-G393 WeakPolarHBondContact O-CA 3.23Å; A389-G393 PolarHBondContact O-N 3.19Å; G393-S395 PolarHBondContact O-N 3.3Å; G393-S395 VanDerWaalsContact O-N 3.15Å; G393-L396 PolarHBondContact O-N 3.32Å; G393-L396 VanDerWaalsContact O-N 3.11Å; G393-I397 PolarHBondContact O-N 2.94Å; G393-I411 WeakPolarHBondContact O-CG2 3.34Å; G393-T415 WeakPolarHBondContact CA-OG1 3.38Å
394P89.2Confident86.1Confident45 Ų4541.9 Ų41.929%0.29223%0.227SC..Hα-helixtrans-64.8-16.9177.4-23.534.5000115.4
395S91.6Very high84.6Confident6 Ų643.4 Ų43.44%0.04224%0.235CC..Hα-helixtrans-95.9-15.7176.8-52.60000112.5L317 F392 G393 W398L317-S395 CarbonylContact C-O 3.6Å; L317-S395 WeakPolarHBondContact CB-O 3.49Å; F392-S395 CarbonylContact O-C 3.51Å; F392-S395 WeakPolarHBondContact O-CA 3.46Å; F392-S395 WeakPolarHBondContact O-CB 3.18Å; F392-S395 PolarHBondContact O-N 3.19Å; G393-S395 PolarHBondContact O-N 3.3Å; G393-S395 VanDerWaalsContact O-N 3.15Å; S395-W398 WeakPolarHBondContact O-CZ3 3.41Å
396L95.1Very high83.4Confident0 Ų047.5 Ų47.50%026%0.258CS..Hα-helixtrans-89.9-33177.1-68.1176.4000112.4L317 P323 L324 L325 L364 L367 F392 G393 T415L317-L396 HydrophobicContact CD1-CD2 4.16Å; P323-L396 WeakPolarHBondContact CB-O 3.14Å; L324-L396 HydrophobicContact CD2-CD2 3.99Å; L324-L396 PolarHBondContact N-O 2.91Å; L325-L396 HydrophobicContact CD1-CB 3.9Å; L325-L396 HydrophobicContact CG-CB 4.32Å; L325-L396 PolarHBondContact N-O 3.4Å; L364-L396 HydrophobicContact CD1-CD2 4.12Å; L367-L396 HydrophobicContact CD2-CD2 3.64Å; F392-L396 HydrophobicContact CB-CD1 4.3Å; F392-L396 HydrophobicContact CB-CG 4.49Å; F392-L396 WeakPolarHBondContact O-CG 3.47Å; F392-L396 PolarHBondContact O-N 2.87Å; G393-L396 PolarHBondContact O-N 3.32Å; G393-L396 VanDerWaalsContact O-N 3.11Å; L396-T415 HydrophobicContact CD1-CG2 3.63Å
397I93.3Very high82.8Confident1 Ų146 Ų461%0.00525%0.246CC..  trans-150.2140.2-177.5-164.3164.2000113.3P323 L325 Y330 I333 G393 I411P323-I397 HydrophobicContact CB-CG1 4.45Å; L325-I397 HydrophobicContact CB-CB 4.07Å; L325-I397 HydrophobicContact CB-CD1 3.93Å; L325-I397 HydrophobicContact CB-CG1 4.28Å; L325-I397 HydrophobicContact CD1-CB 4.08Å; L325-I397 HydrophobicContact CD1-CG2 4.28Å; Y330-I397 HydrophobicContact CD2-CD1 3.87Å; Y330-I397 HydrophobicContact CD2-CG1 3.69Å; Y330-I397 HydrophobicContact CE2-CG1 4.31Å; Y330-I397 HydrophobicContact CG-CD1 4.47Å; I333-I397 HydrophobicContact CD1-CD1 3.4Å; I333-I397 VanDerWaalsContact CD1-CD1 3.4Å; G393-I397 PolarHBondContact O-N 2.94Å; I397-I411 HydrophobicContact CG2-CB 4.23Å; I397-I411 HydrophobicContact CG2-CD1 3.97Å; I397-I411 HydrophobicContact CG2-CG1 3.76Å; I397-I411 HydrophobicContact CG2-CG2 3.48Å; I397-I411 VanDerWaalsContact CG2-CG2 3.48Å
398W85.2Confident82.4Confident38 Ų3844.9 Ų44.914%0.14424%0.239CC..  trans-148.7157.617357.689.4000110.3L317 L320 P323 F327 Y330 S395L317-W398 VanDerWaalsContact O-CH2 3.31Å; L317-W398 WeakPolarHBondContact O-CH2 3.46Å; L320-W398 HydrophobicContact CB-CH2 4.47Å; P323-W398 HydrophobicContact CB-CD2 3.81Å; P323-W398 HydrophobicContact CB-CE3 3.63Å; P323-W398 HydrophobicContact CB-CH2 3.85Å; P323-W398 HydrophobicContact CB-CZ2 4Å; P323-W398 HydrophobicContact CB-CZ3 3.64Å; P323-W398 VanDerWaalsContact CD-CE2 3.47Å; P323-W398 HydrophobicContact CG-CD2 3.55Å; P323-W398 HydrophobicContact CG-CE3 3.94Å; P323-W398 HydrophobicContact CG-CG 3.95Å; P323-W398 HydrophobicContact CG-CH2 4.27Å; P323-W398 HydrophobicContact CG-CZ2 3.9Å; P323-W398 HydrophobicContact CG-CZ3 4.27Å; P323-W398 VanDerWaalsContact N-CZ2 3.3Å; F327-W398 WeakPolarHBondContact CD1-O 3.48Å; F327-W398 AromaticContact CE1-CD1 3.74Å; F327-W398 AromaticContact CE1-NE1 3.71Å; F327-W398 WeakPolarHBondContact CE1-O 3.43Å; F327-W398 AromaticContact CZ-NE1 3.71Å; Y330-W398 VanDerWaalsContact CE2-C 3.47Å; S395-W398 WeakPolarHBondContact O-CZ3 3.41Å
399S79.8Confident81.9Confident26 Ų2650.3 Ų50.318%0.18227%0.268CS..  trans-80.6153.4176.3-174.20000110.6Y330 N401Y330-S399 VanDerWaalsContact CE2-N 3.3Å; S399-N401 WeakPolarHBondContact CB-O 3.49Å; S399-N401 PolarHBondContact O-N 3.35Å; S399-N401 PolarHBondContact OG-N 2.94Å; S399-N401 VanDerWaalsContact OG-N 3.08Å
400R73.7Confident81.7Confident171 Ų17151.2 Ų51.265%0.64527%0.274SS*.SBendtrans-66.2-23.8164.7-64.3-173.1-175-134.54.1112F327F327-R400 HydrophobicContact CB-CG 4.41Å; F327-R400 HydrophobicContact CD1-CG 3.49Å; F327-R400 VanDerWaalsContact CD1-CG 3.49Å; F327-R400 HydrophobicContact CD2-CG 3.95Å; F327-R400 VanDerWaalsContact CD2-CZ 3.47Å; F327-R400 VanDerWaalsContact CD2-NH2 3.31Å; F327-R400 HydrophobicContact CE1-CB 4.48Å; F327-R400 HydrophobicContact CE1-CG 3.53Å; F327-R400 HydrophobicContact CE2-CG 3.97Å; F327-R400 HydrophobicContact CG-CG 3.7Å; F327-R400 HydrophobicContact CZ-CG 3.76Å
401N68.5Low81.8Confident122 Ų12247.4 Ų47.465%0.65225%0.25SS*.SBendtrans-111.1-173.4-178.1-61-30.2000110.5S399 A403S399-N401 WeakPolarHBondContact CB-O 3.49Å; S399-N401 PolarHBondContact O-N 3.35Å; S399-N401 PolarHBondContact OG-N 2.94Å; S399-N401 VanDerWaalsContact OG-N 3.08Å; N401-A403 PolarHBondContact O-N 3.01Å
402Q54.8Low81.8Confident108 Ų10847.5 Ų47.551%0.50525%0.25SS..PPolyproline II helixtrans-61128170.7-53.2-172.7-3600109.9D34D34-Q402 HydrophobicContact CB-CB 3.82Å; D34-Q402 HydrophobicContact CB-CG 3.51Å; D34-Q402 PolarHBondContact OD2-NE2 2.78Å
403A59.2Low81.8Confident13 Ų1349.2 Ų49.211%0.10726%0.264CS..PPolyproline II helixtrans-89.7138.2172.100000109.5Y330 N401 A407Y330-A403 WeakPolarHBondContact OH-CB 3.47Å; N401-A403 PolarHBondContact O-N 3.01Å; A403-A407 HydrophobicContact CB-CB 4.45Å
404S57.6Low82Confident63 Ų6349.3 Ų49.344%0.44127%0.265SS..PPolyproline II helixtrans-69.6154.4170.663.50000110.8T406 A407S404-T406 PolarHBondContact O-N 2.77Å; S404-T406 PolarHBondContact OG-OG1 3.09Å; S404-A407 VanDerWaalsContact O-CB 3.26Å; S404-A407 WeakPolarHBondContact O-CB 3.48Å; S404-A407 PolarHBondContact O-N 2.88Å; S404-A407 PolarHBondContact OG-N 2.9Å
405L65.6Low82.4Confident103 Ų10347.1 Ų47.154%0.53925%0.251SS..Hα-helixtrans-55.5-37.4172.8-68.4172.8000111.7S30 A407 I408S30-L405 VanDerWaalsContact O-CD2 3.23Å; S30-L405 WeakPolarHBondContact O-CD2 3.11Å; L405-A407 PolarHBondContact O-N 3.08Å; L405-I408 WeakPolarHBondContact O-CB 3.35Å; L405-I408 PolarHBondContact O-N 3.03Å; L405-I408 VanDerWaalsContact O-N 3.14Å
406T74.3Confident82.8Confident99 Ų9950.5 Ų50.561%0.60727%0.266SS*.Hα-helixtrans-62.2-26.4176.754.40000113.7S404 I408 V410S404-T406 PolarHBondContact O-N 2.77Å; S404-T406 PolarHBondContact OG-OG1 3.09Å; T406-I408 VanDerWaalsContact C-N 3.3Å; T406-I408 PolarHBondContact O-N 3.25Å; T406-V410 WeakPolarHBondContact O-CG2 3.43Å
407A84.4Confident82.9Confident2 Ų251.8 Ų51.82%0.01727%0.272CS..Hα-helixtrans-67.9-33.3177.700000111.6L334 A403 S404 L405 V410 I411L334-A407 HydrophobicContact CD1-CB 4.14Å; L334-A407 HydrophobicContact CD2-CB 3.77Å; A403-A407 HydrophobicContact CB-CB 4.45Å; S404-A407 VanDerWaalsContact O-CB 3.26Å; S404-A407 WeakPolarHBondContact O-CB 3.48Å; S404-A407 PolarHBondContact O-N 2.88Å; S404-A407 PolarHBondContact OG-N 2.9Å; L405-A407 PolarHBondContact O-N 3.08Å; A407-V410 PolarHBondContact O-N 3.38Å; A407-I411 HydrophobicContact CB-CD1 4.46Å; A407-I411 WeakPolarHBondContact O-CB 3.42Å; A407-I411 WeakPolarHBondContact O-CD1 3.32Å; A407-I411 WeakPolarHBondContact O-CG1 3.47Å; A407-I411 PolarHBondContact O-N 3.01Å
408I87.1Confident83.2Confident37 Ų3751.7 Ų51.719%0.1927%0.272CS..Hα-helixtrans-64.4-43.8-177.5-63171.5000110.5L405 T406 V410 I411 N412L405-I408 WeakPolarHBondContact O-CB 3.35Å; L405-I408 PolarHBondContact O-N 3.03Å; L405-I408 VanDerWaalsContact O-N 3.14Å; T406-I408 VanDerWaalsContact C-N 3.3Å; T406-I408 PolarHBondContact O-N 3.25Å; I408-V410 VanDerWaalsContact C-N 3.34Å; I408-V410 PolarHBondContact O-N 3.27Å; I408-I411 PolarHBondContact O-N 3.45Å; I408-N412 WeakPolarHBondContact O-CB 3.49Å; I408-N412 PolarHBondContact O-N 2.88Å; I408-N412 PolarHBondContact O-ND2 2.86Å; I408-N412 PolarHBondContact O-OD1 3.14Å
409D88.9Confident83.8Confident114 Ų11450 Ų5061%0.6127%0.266SS*.Hα-helixtrans-63.3-41.1178.9-65.5-33.1000111.8N412 A413D409-N412 PolarHBondContact O-N 3.08Å; D409-A413 WeakPolarHBondContact O-CB 3.05Å; D409-A413 PolarHBondContact O-N 3.1Å
410V93.7Very high84.7Confident21 Ų2152.5 Ų52.513%0.12728%0.28CS..Hα-helixtrans-67.4-42177.4-1780000111.1I333 L334 T336 T406 A407 I408 A413 F414I333-V410 WeakPolarHBondContact O-CG1 3.44Å; L334-V410 HydrophobicContact CD2-CB 4.09Å; L334-V410 HydrophobicContact CD2-CG1 4.18Å; T336-V410 WeakPolarHBondContact OG1-CG1 3.47Å; T406-V410 WeakPolarHBondContact O-CG2 3.43Å; A407-V410 PolarHBondContact O-N 3.38Å; I408-V410 VanDerWaalsContact C-N 3.34Å; I408-V410 PolarHBondContact O-N 3.27Å; V410-A413 PolarHBondContact O-N 3.08Å; V410-F414 WeakPolarHBondContact O-CB 3.31Å; V410-F414 PolarHBondContact O-N 3.12Å
411I93.6Very high85.8Confident4 Ų448.1 Ų48.12%0.02127%0.267CS..Hα-helixtrans-62.2-44.1176.3-72.4163.6000111.1Y330 L334 G393 I397 A407 I408 F414 T415Y330-I411 HydrophobicContact CE2-CD1 4.1Å; L334-I411 HydrophobicContact CD2-CG1 4.39Å; G393-I411 WeakPolarHBondContact O-CG2 3.34Å; I397-I411 HydrophobicContact CG2-CB 4.23Å; I397-I411 HydrophobicContact CG2-CD1 3.97Å; I397-I411 HydrophobicContact CG2-CG1 3.76Å; I397-I411 HydrophobicContact CG2-CG2 3.48Å; I397-I411 VanDerWaalsContact CG2-CG2 3.48Å; A407-I411 HydrophobicContact CB-CD1 4.46Å; A407-I411 WeakPolarHBondContact O-CB 3.42Å; A407-I411 WeakPolarHBondContact O-CD1 3.32Å; A407-I411 WeakPolarHBondContact O-CG1 3.47Å; A407-I411 PolarHBondContact O-N 3.01Å; I408-I411 PolarHBondContact O-N 3.45Å; I411-F414 PolarHBondContact O-N 3.27Å; I411-T415 WeakPolarHBondContact O-CB 3.45Å; I411-T415 PolarHBondContact O-N 3.03Å; I411-T415 PolarHBondContact O-OG1 3.31Å
412N93.8Very high87.2Confident24 Ų2443.6 Ų43.613%0.12824%0.241CC..Hα-helixtrans-64.2-45.7177-67.9-14.2000110.2A389 I408 D409 F414 T415 Q416A389-N412 VanDerWaalsContact CB-O 3.32Å; A389-N412 WeakPolarHBondContact CB-O 3.24Å; A389-N412 PolarHBondContact O-OD1 3.33Å; I408-N412 WeakPolarHBondContact O-CB 3.49Å; I408-N412 PolarHBondContact O-N 2.88Å; I408-N412 PolarHBondContact O-ND2 2.86Å; I408-N412 PolarHBondContact O-OD1 3.14Å; D409-N412 PolarHBondContact O-N 3.08Å; N412-F414 VanDerWaalsContact C-N 3.34Å; N412-F414 PolarHBondContact O-N 3.22Å; N412-T415 PolarHBondContact O-N 3.08Å; N412-Q416 WeakPolarHBondContact O-CB 3.45Å; N412-Q416 PolarHBondContact O-N 3.02Å
413A95.8Very high89.1Confident36 Ų3644.9 Ų44.930%0.29825%0.247SC..Hα-helixtrans-60.4-42.417600000112.3D409 V410 Q416 I417D409-A413 WeakPolarHBondContact O-CB 3.05Å; D409-A413 PolarHBondContact O-N 3.1Å; V410-A413 PolarHBondContact O-N 3.08Å; A413-Q416 PolarHBondContact O-N 3.38Å; A413-I417 WeakPolarHBondContact O-CG1 3.46Å; A413-I417 PolarHBondContact O-N 2.86Å
414F97.7Very high90.8Very high2 Ų247.2 Ų47.21%0.00926%0.262CS..Hα-helixtrans-61.7-46.4175.7-173.2-98.3000111.6L325 I333 T336 A348 L351 I352 V410 I411 N412 Q416 I417 L418L325-F414 HydrophobicContact CD1-CD1 4.38Å; L325-F414 HydrophobicContact CD1-CE1 4.19Å; I333-F414 HydrophobicContact CD1-CD1 4.12Å; I333-F414 HydrophobicContact CD1-CE1 3.78Å; I333-F414 HydrophobicContact CD1-CZ 4.17Å; I333-F414 HydrophobicContact CG1-CD1 4.1Å; I333-F414 HydrophobicContact CG1-CD2 4.27Å; I333-F414 HydrophobicContact CG1-CE1 3.83Å; I333-F414 HydrophobicContact CG1-CE2 4.01Å; I333-F414 HydrophobicContact CG1-CG 4.31Å; I333-F414 HydrophobicContact CG1-CZ 3.79Å; I333-F414 HydrophobicContact CG2-CB 3.87Å; I333-F414 HydrophobicContact CG2-CD1 4Å; I333-F414 HydrophobicContact CG2-CD2 4.08Å; I333-F414 HydrophobicContact CG2-CG 3.72Å; T336-F414 HydrophobicContact CG2-CD2 3.99Å; T336-F414 HydrophobicContact CG2-CE2 4.26Å; A348-F414 HydrophobicContact CB-CD2 4.39Å; A348-F414 HydrophobicContact CB-CE2 3.61Å; A348-F414 HydrophobicContact CB-CZ 4.04Å; L351-F414 HydrophobicContact CD1-CE2 4.26Å; L351-F414 HydrophobicContact CD1-CZ 4.33Å; I352-F414 HydrophobicContact CD1-CZ 4.49Å; V410-F414 WeakPolarHBondContact O-CB 3.31Å; V410-F414 PolarHBondContact O-N 3.12Å; I411-F414 PolarHBondContact O-N 3.27Å; N412-F414 VanDerWaalsContact C-N 3.34Å; N412-F414 PolarHBondContact O-N 3.22Å; F414-Q416 VanDerWaalsContact C-N 3.31Å; F414-Q416 PolarHBondContact O-N 2.79Å; F414-I417 WeakPolarHBondContact O-CB 3.47Å; F414-I417 PolarHBondContact O-N 3.22Å; F414-I417 VanDerWaalsContact O-N 3.13Å; F414-L418 HydrophobicContact CD1-CD1 4.14Å; F414-L418 HydrophobicContact CD1-CG 4.29Å; F414-L418 HydrophobicContact CE1-CD1 3.85Å; F414-L418 HydrophobicContact CE1-CD2 4.09Å; F414-L418 HydrophobicContact CE1-CG 4.08Å; F414-L418 HydrophobicContact CZ-CD2 4.24Å; F414-L418 WeakPolarHBondContact O-CG 3.11Å; F414-L418 PolarHBondContact O-N 3.31Å
415T98Very high92.7Very high0 Ų044.2 Ų44.20%024%0.241CC..Hα-helixtrans-61.7-40.3177.5-55.70000111.5A389 F392 G393 L396 I411 N412 I417 L418 I419A389-T415 HydrophobicContact CB-CG2 4.04Å; F392-T415 HydrophobicContact CB-CG2 4.25Å; G393-T415 WeakPolarHBondContact CA-OG1 3.38Å; L396-T415 HydrophobicContact CD1-CG2 3.63Å; I411-T415 WeakPolarHBondContact O-CB 3.45Å; I411-T415 PolarHBondContact O-N 3.03Å; I411-T415 PolarHBondContact O-OG1 3.31Å; N412-T415 PolarHBondContact O-N 3.08Å; T415-I417 VanDerWaalsContact C-N 3.33Å; T415-I417 PolarHBondContact O-N 3.31Å; T415-L418 PolarHBondContact O-N 2.82Å; T415-I419 HydrophobicContact CG2-CD1 4.34Å; T415-I419 WeakPolarHBondContact O-CG1 3.45Å; T415-I419 PolarHBondContact O-N 2.87Å
416Q98.4Very high94.2Very high77 Ų7739.9 Ų39.936%0.3622%0.217SC..Hα-helixtrans-61.3-42.5174.8-175.4179.7-3.400111.3A385 A389 N412 A413 F414 L418 I419 T420A385-Q416 HydrophobicContact CB-CG 4.19Å; A389-Q416 HydrophobicContact CB-CB 3.69Å; N412-Q416 WeakPolarHBondContact O-CB 3.45Å; N412-Q416 PolarHBondContact O-N 3.02Å; A413-Q416 PolarHBondContact O-N 3.38Å; F414-Q416 VanDerWaalsContact C-N 3.31Å; F414-Q416 PolarHBondContact O-N 2.79Å; Q416-L418 VanDerWaalsContact C-N 3.34Å; Q416-L418 PolarHBondContact O-N 2.95Å; Q416-I419 PolarHBondContact O-N 3.45Å; Q416-T420 WeakPolarHBondContact O-CB 3.22Å; Q416-T420 PolarHBondContact O-N 3.46Å; Q416-T420 PolarHBondContact O-OG1 3.06Å; Q416-T420 VanDerWaalsContact O-OG1 3.13Å
417I98.1Very high94.6Very high26 Ų2638.6 Ų38.613%0.13321%0.21CC..Hα-helixtrans-60.4-43176.8-73.2170000111.4K344 V345 A348 A413 F414 T415 I419 T420 H421 I425K344-I417 HydrophobicContact CB-CD1 3.67Å; K344-I417 HydrophobicContact CD-CD1 3.98Å; K344-I417 HydrophobicContact CG-CD1 4.38Å; V345-I417 HydrophobicContact CG2-CG2 4.07Å; A348-I417 HydrophobicContact CB-CG2 4.12Å; A413-I417 WeakPolarHBondContact O-CG1 3.46Å; A413-I417 PolarHBondContact O-N 2.86Å; F414-I417 WeakPolarHBondContact O-CB 3.47Å; F414-I417 PolarHBondContact O-N 3.22Å; F414-I417 VanDerWaalsContact O-N 3.13Å; T415-I417 VanDerWaalsContact C-N 3.33Å; T415-I417 PolarHBondContact O-N 3.31Å; I417-I419 VanDerWaalsContact C-N 3.29Å; I417-I419 PolarHBondContact O-N 2.66Å; I417-T420 PolarHBondContact O-N 3.06Å; I417-H421 WeakPolarHBondContact O-CB 3.39Å; I417-H421 PolarHBondContact O-N 2.65Å; I417-I425 HydrophobicContact CG2-CD1 3.77Å
418L98.5Very high93.9Very high0 Ų047.7 Ų47.70%025%0.249CC..Hα-helixtrans-57.3-43.9176.6-63-178.5000111.6A348 I352 I368 F414 T415 Q416 Y422 I425 F426A348-L418 HydrophobicContact CB-CD2 4.43Å; I352-L418 HydrophobicContact CD1-CD2 4.27Å; I352-L418 HydrophobicContact CG1-CD2 3.82Å; I368-L418 HydrophobicContact CD1-CB 4.12Å; I368-L418 HydrophobicContact CD1-CD1 4.39Å; I368-L418 HydrophobicContact CG1-CB 4.29Å; I368-L418 HydrophobicContact CG2-CB 4.24Å; I368-L418 WeakPolarHBondContact CG2-O 3.41Å; F414-L418 HydrophobicContact CD1-CD1 4.14Å; F414-L418 HydrophobicContact CD1-CG 4.29Å; F414-L418 HydrophobicContact CE1-CD1 3.85Å; F414-L418 HydrophobicContact CE1-CD2 4.09Å; F414-L418 HydrophobicContact CE1-CG 4.08Å; F414-L418 HydrophobicContact CZ-CD2 4.24Å; F414-L418 WeakPolarHBondContact O-CG 3.11Å; F414-L418 PolarHBondContact O-N 3.31Å; T415-L418 PolarHBondContact O-N 2.82Å; Q416-L418 VanDerWaalsContact C-N 3.34Å; Q416-L418 PolarHBondContact O-N 2.95Å; L418-Y422 WeakPolarHBondContact O-CA 3.34Å; L418-Y422 PolarHBondContact O-N 3.41Å; L418-I425 HydrophobicContact CD2-CD1 4.14Å; L418-I425 HydrophobicContact CD2-CG2 4.09Å; L418-F426 HydrophobicContact CB-CE2 4.39Å; L418-F426 HydrophobicContact CD2-CE2 4.22Å; L418-F426 HydrophobicContact CD2-CZ 4.42Å
419I98.5Very high94.3Very high3 Ų348.2 Ų48.22%0.01525%0.252CS..Hα-helixtrans-71.4-50.3179.9-60.5167000110.7I368 L371 T372 T375 A385 L388 T415 Q416 I417 H421I368-I419 HydrophobicContact CD1-CG1 4.27Å; I368-I419 HydrophobicContact CG2-CG1 4.4Å; L371-I419 HydrophobicContact CB-CD1 4.28Å; L371-I419 HydrophobicContact CB-CG1 4.23Å; L371-I419 HydrophobicContact CD1-CD1 4.11Å; L371-I419 HydrophobicContact CD1-CG1 4.45Å; T372-I419 PolarHBondContact OG1-O 3.25Å; T375-I419 HydrophobicContact CG2-CG2 3.84Å; A385-I419 HydrophobicContact CB-CB 4.22Å; A385-I419 HydrophobicContact CB-CG2 3.81Å; L388-I419 HydrophobicContact CB-CD1 3.85Å; T415-I419 HydrophobicContact CG2-CD1 4.34Å; T415-I419 WeakPolarHBondContact O-CG1 3.45Å; T415-I419 PolarHBondContact O-N 2.87Å; Q416-I419 PolarHBondContact O-N 3.45Å; I417-I419 VanDerWaalsContact C-N 3.29Å; I417-I419 PolarHBondContact O-N 2.66Å; I419-H421 VanDerWaalsContact C-N 3.34Å; I419-H421 PolarHBondContact O-N 3.32Å
420T98.1Very high94.5Very high78 Ų7844.7 Ų44.748%0.47923%0.233SC..Hα-helixtrans-67-32.9-175.6-61.40000113A385 Q416 I417A385-T420 WeakPolarHBondContact CB-OG1 3.42Å; Q416-T420 WeakPolarHBondContact O-CB 3.22Å; Q416-T420 PolarHBondContact O-N 3.46Å; Q416-T420 PolarHBondContact O-OG1 3.06Å; Q416-T420 VanDerWaalsContact O-OG1 3.13Å; I417-T420 PolarHBondContact O-N 3.06Å
421H97.6Very high94.6Very high78 Ų7846.1 Ų46.136%0.36124%0.239SC..THydrogen-bonded Turntrans-114.730.1-176.9-61.5-71.6000112.9V345 I417 I419 E423 C424 I425V345-H421 HydrophobicContact CG1-CB 4.25Å; V345-H421 HydrophobicContact CG2-CB 4.48Å; I417-H421 WeakPolarHBondContact O-CB 3.39Å; I417-H421 PolarHBondContact O-N 2.65Å; I419-H421 VanDerWaalsContact C-N 3.34Å; I419-H421 PolarHBondContact O-N 3.32Å; H421-E423 PolarHBondContact O-N 3.3Å; H421-C424 HydrophobicContact CB-CB 4.29Å; H421-C424 WeakPolarHBondContact O-CB 3.43Å; H421-C424 PolarHBondContact O-N 3.11Å; H421-I425 HydrophobicContact CB-CD1 3.95Å; H421-I425 HydrophobicContact CB-CG1 4.31Å; H421-I425 PolarHBondContact O-N 3.16Å
422Y98Very high94.7Very high27 Ų2748.5 Ų48.511%0.10625%0.251CS..Hα-helixtrans-46-55.4-177.7168.6-100.7000112.8N365 I368 R369 L418 C424 I425 F426N365-Y422 VanDerWaalsContact OD1-CE2 3.29Å; N365-Y422 WeakPolarHBondContact OD1-CE2 3.37Å; N365-Y422 PolarHBondContact OD1-OH 2.96Å; I368-Y422 HydrophobicContact CB-CD2 4.17Å; I368-Y422 HydrophobicContact CG2-CD2 3.68Å; I368-Y422 HydrophobicContact CG2-CG 4.4Å; R369-Y422 HydrophobicContact CB-CE1 4.32Å; R369-Y422 HydrophobicContact CB-CE2 3.66Å; R369-Y422 WeakPolarHBondContact CD-OH 3.01Å; R369-Y422 HydrophobicContact CG-CE1 4.17Å; R369-Y422 HydrophobicContact CG-CE2 4.39Å; L418-Y422 WeakPolarHBondContact O-CA 3.34Å; L418-Y422 PolarHBondContact O-N 3.41Å; Y422-C424 PolarHBondContact O-N 3.15Å; Y422-I425 PolarHBondContact O-N 2.97Å; Y422-I425 VanDerWaalsContact O-N 3.16Å; Y422-F426 HydrophobicContact CD2-CB 4.15Å; Y422-F426 AromaticContact CD2-CD2 3.6Å; Y422-F426 HydrophobicContact CD2-CD2 3.6Å; Y422-F426 HydrophobicContact CD2-CE2 4.26Å; Y422-F426 HydrophobicContact CD2-CG 4Å; Y422-F426 HydrophobicContact CE2-CB 3.89Å; Y422-F426 HydrophobicContact CE2-CD2 4.05Å; Y422-F426 AromaticContact CE2-CG 3.96Å; Y422-F426 HydrophobicContact CE2-CG 3.96Å; Y422-F426 HydrophobicContact CG-CD2 4.49Å; Y422-F426 PolarHBondContact O-N 3.24Å
423E95.5Very high94.7Very high136 Ų13650.1 Ų50.164%0.63626%0.259SS*.Hα-helixtrans-60.4-31.8-179.1-63.5-61.5159.600113H421 T427H421-E423 PolarHBondContact O-N 3.3Å; E423-T427 VanDerWaalsContact O-CB 3.3Å; E423-T427 WeakPolarHBondContact O-CB 3.43Å; E423-T427 PolarHBondContact O-OG1 3.04Å
424C94.9Very high94.6Very high62 Ų6251 Ų5142%0.41926%0.257SS..Hα-helixtrans-75.7-40179.2-172.30000111.7K349 H421 Y422K349-C424 WeakPolarHBondContact CD-O 3.23Å; K349-C424 WeakPolarHBondContact CE-O 3.21Å; K349-C424 PolarHBondContact NZ-O 3.09Å; H421-C424 HydrophobicContact CB-CB 4.29Å; H421-C424 WeakPolarHBondContact O-CB 3.43Å; H421-C424 PolarHBondContact O-N 3.11Å; Y422-C424 PolarHBondContact O-N 3.15Å
425I96.9Very high94.4Very high0 Ų054.5 Ų54.50%027%0.274CS..Hα-helixtrans-85.1-43.8-170.2-68.8172.3000111.8V345 A348 K349 I352 I417 L418 H421 Y422V345-I425 HydrophobicContact CG1-CD1 4.46Å; V345-I425 HydrophobicContact CG1-CG1 4.24Å; A348-I425 HydrophobicContact CB-CD1 3.94Å; K349-I425 HydrophobicContact CB-CG1 4.38Å; I352-I425 HydrophobicContact CB-CG2 4.15Å; I352-I425 HydrophobicContact CG1-CG2 4.12Å; I352-I425 HydrophobicContact CG2-CG2 4.32Å; I417-I425 HydrophobicContact CG2-CD1 3.77Å; L418-I425 HydrophobicContact CD2-CD1 4.14Å; L418-I425 HydrophobicContact CD2-CG2 4.09Å; H421-I425 HydrophobicContact CB-CD1 3.95Å; H421-I425 HydrophobicContact CB-CG1 4.31Å; H421-I425 PolarHBondContact O-N 3.16Å; Y422-I425 PolarHBondContact O-N 2.97Å; Y422-I425 VanDerWaalsContact O-N 3.16Å
426F96Very high94.1Very high11 Ų1158.7 Ų58.75%0.04830%0.295CS..SBendtrans-94.90.8-171.6-70.5-92.2000114.3I352 Y361 L364 N365 I368 L418 Y422 K428I352-F426 HydrophobicContact CG2-CD1 4.06Å; I352-F426 HydrophobicContact CG2-CE1 3.62Å; I352-F426 HydrophobicContact CG2-CZ 3.96Å; Y361-F426 AromaticContact CE2-CD1 3.78Å; Y361-F426 HydrophobicContact CE2-CD1 3.78Å; Y361-F426 HydrophobicContact CE2-CE1 4.28Å; Y361-F426 PolarHBondContact OH-O 3.13Å; L364-F426 HydrophobicContact CD2-CE1 3.97Å; L364-F426 HydrophobicContact CD2-CZ 3.83Å; L364-F426 HydrophobicContact CG-CE1 4.02Å; L364-F426 HydrophobicContact CG-CZ 3.91Å; N365-F426 HydrophobicContact CB-CD1 3.67Å; N365-F426 HydrophobicContact CB-CE1 4Å; N365-F426 WeakPolarHBondContact OD1-CB 3.34Å; N365-F426 WeakPolarHBondContact OD1-CD1 3.42Å; I368-F426 HydrophobicContact CB-CE2 4.08Å; I368-F426 HydrophobicContact CB-CZ 4.12Å; I368-F426 HydrophobicContact CG1-CE2 4.17Å; I368-F426 HydrophobicContact CG1-CZ 3.87Å; I368-F426 HydrophobicContact CG2-CD2 4.49Å; I368-F426 HydrophobicContact CG2-CE2 3.89Å; I368-F426 HydrophobicContact CG2-CZ 4.42Å; L418-F426 HydrophobicContact CB-CE2 4.39Å; L418-F426 HydrophobicContact CD2-CE2 4.22Å; L418-F426 HydrophobicContact CD2-CZ 4.42Å; Y422-F426 HydrophobicContact CD2-CB 4.15Å; Y422-F426 AromaticContact CD2-CD2 3.6Å; Y422-F426 HydrophobicContact CD2-CD2 3.6Å; Y422-F426 HydrophobicContact CD2-CE2 4.26Å; Y422-F426 HydrophobicContact CD2-CG 4Å; Y422-F426 HydrophobicContact CE2-CB 3.89Å; Y422-F426 HydrophobicContact CE2-CD2 4.05Å; Y422-F426 AromaticContact CE2-CG 3.96Å; Y422-F426 HydrophobicContact CE2-CG 3.96Å; Y422-F426 HydrophobicContact CG-CD2 4.49Å; Y422-F426 PolarHBondContact O-N 3.24Å; F426-K428 PolarHBondContact O-N 3.27Å
427T83.2Confident93.8Very high73 Ų7357.2 Ų57.245%0.44829%0.29SS..  trans-83.2112.1170.7-56.80000109.8K349 E423K349-T427 PolarHBondContact NZ-O 2.67Å; E423-T427 VanDerWaalsContact O-CB 3.3Å; E423-T427 WeakPolarHBondContact O-CB 3.43Å; E423-T427 PolarHBondContact O-OG1 3.04Å
428K70.2Confident93.4Very high192 Ų19260 Ų6084%0.83530%0.304SS*.  trans-690173.2-77-170.2177.1-1760112L353 F426L353-K428 HydrophobicContact CD2-CG 4.06Å; F426-K428 PolarHBondContact O-N 3.27Å

Retrieved 428 of 428 residues in 388 ms (Link to these results)