A0A3Q0KKN2_SCHMA Loading...

Venom allergen-like (VAL) 6 protein

AlphaFold DB , UniProt , Accession A0A3Q0KKN2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 429 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
1M83.1Confident96Very high199 Ų19970.3 Ų70.398%0.9833%0.33SS*.  0137.10177.9-174.8-78.200107.1E41M1-E41 PolarHBondContact N-OE1 3.14Å
2I94.6Very high96.1Very high46 Ų4678.3 Ų78.324%0.23636%0.355CS..  trans-74.2137.5-178.2-53.6171.5000110E4 M33 I34I2-E4 PolarHBondContact O-N 3.09Å; I2-M33 HydrophobicContact CD1-CB 4.13Å; I2-M33 HydrophobicContact CG2-CB 4.14Å; I2-M33 HydrophobicContact CG2-CE 3.54Å; I2-I34 HydrophobicContact CD1-CG1 3.52Å; I2-I34 HydrophobicContact CG1-CG1 4.33Å
3N95.6Very high96.3Very high63 Ų6373.2 Ų73.234%0.33733%0.332SS..  trans-91.694.2173.1-171.7-28.2000110F6 N7N3-F6 HydrophobicContact CB-CB 3.85Å; N3-F6 VanDerWaalsContact CG-CB 3.41Å; N3-F6 PolarHBondContact O-N 2.82Å; N3-F6 WeakPolarHBondContact OD1-CB 3.48Å; N3-F6 PolarHBondContact OD1-N 3.25Å; N3-N7 PolarHBondContact O-N 3.27Å; N3-N7 VanDerWaalsContact O-N 3.11Å; N3-N7 PolarHBondContact O-ND2 3.35Å
4E96.5Very high96.4Very high143 Ų14368 Ų6867%0.66831%0.308SS*.Hα-helixtrans-59.6-47.9-178-67.3178178.800112I2 F6 N7 D8I2-E4 PolarHBondContact O-N 3.09Å; E4-F6 VanDerWaalsContact C-N 3.26Å; E4-F6 PolarHBondContact O-N 3.42Å; E4-N7 WeakPolarHBondContact O-CB 3.5Å; E4-N7 PolarHBondContact O-N 3.39Å; E4-D8 PolarHBondContact O-N 2.81Å
5R97.3Very high96.5Very high186 Ų18664.9 Ų64.970%0.70230%0.295SS*.Hα-helixtrans-57.7-40.1178.6-178.7179.5177-178.62.1112.2Q9R5-Q9 VanDerWaalsContact O-CG 3.28Å; R5-Q9 WeakPolarHBondContact O-CG 3.37Å; R5-Q9 PolarHBondContact O-N 3Å; R5-Q9 VanDerWaalsContact O-N 3.09Å
6F97.8Very high96.5Very high5 Ų566.1 Ų66.12%0.02230%0.296CS..Hα-helixtrans-65.6-44177.2-178.2-94.2000111.4N3 E4 Q9 A10 T73 G74 V77 F114 L116 V127N3-F6 HydrophobicContact CB-CB 3.85Å; N3-F6 VanDerWaalsContact CG-CB 3.41Å; N3-F6 PolarHBondContact O-N 2.82Å; N3-F6 WeakPolarHBondContact OD1-CB 3.48Å; N3-F6 PolarHBondContact OD1-N 3.25Å; E4-F6 VanDerWaalsContact C-N 3.26Å; E4-F6 PolarHBondContact O-N 3.42Å; F6-Q9 PolarHBondContact O-N 3.27Å; F6-A10 WeakPolarHBondContact O-CB 3.39Å; F6-A10 PolarHBondContact O-N 3.2Å; F6-T73 VanDerWaalsContact CE2-C 3.5Å; F6-G74 VanDerWaalsContact CE2-N 3.32Å; F6-V77 HydrophobicContact CE2-CG2 4.33Å; F6-V77 HydrophobicContact CZ-CG2 4.09Å; F6-F114 HydrophobicContact CD1-CB 4.18Å; F6-F114 HydrophobicContact CE1-CB 3.9Å; F6-L116 HydrophobicContact CD1-CB 4.11Å; F6-L116 HydrophobicContact CD2-CB 4.35Å; F6-L116 HydrophobicContact CD2-CD2 3.67Å; F6-L116 HydrophobicContact CE1-CB 4.12Å; F6-L116 HydrophobicContact CE2-CB 4.36Å; F6-L116 HydrophobicContact CE2-CD2 3.95Å; F6-L116 HydrophobicContact CG-CB 4.23Å; F6-L116 HydrophobicContact CG-CD2 4.14Å; F6-L116 HydrophobicContact CZ-CB 4.26Å; F6-V127 HydrophobicContact CE1-CG1 3.96Å; F6-V127 HydrophobicContact CZ-CG1 3.62Å; F6-V127 HydrophobicContact CZ-CG2 4.11Å
7N98.2Very high96.5Very high0 Ų062.2 Ų62.20%028%0.279CS..Hα-helixtrans-61.9-44.6175.8-84.2-84.1000112N3 E4 Q9 A10 I11 L28 M33 F114N3-N7 PolarHBondContact O-N 3.27Å; N3-N7 VanDerWaalsContact O-N 3.11Å; N3-N7 PolarHBondContact O-ND2 3.35Å; E4-N7 WeakPolarHBondContact O-CB 3.5Å; E4-N7 PolarHBondContact O-N 3.39Å; N7-Q9 VanDerWaalsContact C-N 3.32Å; N7-Q9 PolarHBondContact O-N 3.05Å; N7-A10 PolarHBondContact O-N 2.78Å; N7-I11 WeakPolarHBondContact O-CG2 3.2Å; N7-I11 PolarHBondContact O-N 3.5Å; N7-L28 HydrophobicContact CB-CD1 4.13Å; N7-L28 HydrophobicContact CB-CD2 4.12Å; N7-M33 HydrophobicContact CB-CE 4.12Å; N7-M33 WeakPolarHBondContact OD1-CG 3.49Å; N7-F114 PolarHBondContact ND2-O 3.19Å; N7-F114 WeakPolarHBondContact OD1-CA 3.26Å; N7-F114 WeakPolarHBondContact OD1-CB 3.16Å; N7-F114 WeakPolarHBondContact OD1-CD2 3.26Å; N7-F114 PolarHBondContact OD1-N 2.77Å; N7-F114 PolarHBondContact OD1-O 3.11Å
8D98.2Very high96.6Very high81 Ų8158.8 Ų58.843%0.43326%0.264SS..Hα-helixtrans-61.9-38.1177.1-72.9-17.9000112.8E4 R12E4-D8 PolarHBondContact O-N 2.81Å; D8-R12 VanDerWaalsContact O-CB 3.31Å; D8-R12 WeakPolarHBondContact O-CB 3.42Å; D8-R12 WeakPolarHBondContact O-CG 3.2Å; D8-R12 PolarHBondContact O-N 3.4Å; D8-R12 PolarHBondContact O-NE 2.99Å
9Q98Very high96.6Very high33 Ų3359.1 Ų59.115%0.15427%0.273CS..Hα-helixtrans-68.9-45.9174.6-73.4173.8-1900111.2R5 F6 N7 E13R5-Q9 VanDerWaalsContact O-CG 3.28Å; R5-Q9 WeakPolarHBondContact O-CG 3.37Å; R5-Q9 PolarHBondContact O-N 3Å; R5-Q9 VanDerWaalsContact O-N 3.09Å; F6-Q9 PolarHBondContact O-N 3.27Å; N7-Q9 VanDerWaalsContact C-N 3.32Å; N7-Q9 PolarHBondContact O-N 3.05Å; Q9-E13 PolarHBondContact O-N 3.05Å; Q9-E13 VanDerWaalsContact O-N 3.14Å
10A97.9Very high96.5Very high2 Ų256.3 Ų56.32%0.01726%0.261CS..Hα-helixtrans-63.4-50.1-179.200000111.5F6 N7 R12 E13 H14 S78 F114F6-A10 WeakPolarHBondContact O-CB 3.39Å; F6-A10 PolarHBondContact O-N 3.2Å; N7-A10 PolarHBondContact O-N 2.78Å; A10-R12 PolarHBondContact O-N 3.16Å; A10-E13 PolarHBondContact O-N 2.76Å; A10-H14 WeakPolarHBondContact O-CB 2.98Å; A10-H14 PolarHBondContact O-N 2.77Å; A10-H14 PolarHBondContact O-ND1 3.45Å; A10-S78 PolarHBondContact O-OG 2.95Å; A10-F114 HydrophobicContact CB-CB 4.43Å; A10-F114 HydrophobicContact CB-CD1 4.08Å; A10-F114 HydrophobicContact CB-CD2 3.53Å; A10-F114 HydrophobicContact CB-CE1 4.22Å; A10-F114 HydrophobicContact CB-CE2 3.68Å; A10-F114 HydrophobicContact CB-CG 3.74Å; A10-F114 HydrophobicContact CB-CZ 4.03Å
11I98.5Very high96.4Very high15 Ų1553.6 Ų53.68%0.07725%0.248CC..Hα-helixtrans-64.8-40.4-177.9-16273000112.1N7 E13 H14 N15 L26 L28 A112 F114N7-I11 WeakPolarHBondContact O-CG2 3.2Å; N7-I11 PolarHBondContact O-N 3.5Å; I11-E13 PolarHBondContact O-N 3Å; I11-H14 PolarHBondContact O-N 3.24Å; I11-N15 WeakPolarHBondContact O-CB 3.36Å; I11-N15 PolarHBondContact O-N 2.75Å; I11-L26 HydrophobicContact CD1-CB 3.65Å; I11-L28 HydrophobicContact CB-CD1 4.22Å; I11-L28 HydrophobicContact CB-CD2 3.94Å; I11-L28 HydrophobicContact CB-CG 3.84Å; I11-L28 HydrophobicContact CD1-CD2 4.11Å; I11-L28 HydrophobicContact CD1-CG 4.18Å; I11-L28 HydrophobicContact CG1-CD2 4.21Å; I11-L28 HydrophobicContact CG1-CG 3.89Å; I11-L28 HydrophobicContact CG2-CD1 3.79Å; I11-L28 HydrophobicContact CG2-CD2 4.43Å; I11-L28 HydrophobicContact CG2-CG 3.92Å; I11-A112 HydrophobicContact CD1-CB 4.3Å; I11-F114 HydrophobicContact CB-CE2 4.28Å; I11-F114 HydrophobicContact CD1-CE2 4.17Å
12R98.2Very high97Very high167 Ų16745.7 Ų45.763%0.6322%0.217SC*.Hα-helixtrans-62.2-44.6177.6-77.7-175.6-63.1159.6-1111.2D8 A10 N15 R16D8-R12 VanDerWaalsContact O-CB 3.31Å; D8-R12 WeakPolarHBondContact O-CB 3.42Å; D8-R12 WeakPolarHBondContact O-CG 3.2Å; D8-R12 PolarHBondContact O-N 3.4Å; D8-R12 PolarHBondContact O-NE 2.99Å; A10-R12 PolarHBondContact O-N 3.16Å; R12-N15 PolarHBondContact O-N 3.42Å; R12-R16 WeakPolarHBondContact O-CB 3.38Å; R12-R16 PolarHBondContact O-N 3.26Å
13E97.6Very high97.1Very high12 Ų1243.9 Ų43.96%0.05621%0.209CC..Hα-helixtrans-71.5-37.8179.1-175.861.5178.600112.1Q9 A10 I11 N15 R16 L17 E75 Q79Q9-E13 PolarHBondContact O-N 3.05Å; Q9-E13 VanDerWaalsContact O-N 3.14Å; A10-E13 PolarHBondContact O-N 2.76Å; I11-E13 PolarHBondContact O-N 3Å; E13-N15 VanDerWaalsContact C-N 3.35Å; E13-N15 PolarHBondContact O-N 3.11Å; E13-R16 PolarHBondContact O-N 3.21Å; E13-R16 IonicContact OE1-CZ 3.8Å; E13-R16 IonicContact OE1-NE 2.83Å; E13-R16 PolarHBondContact OE1-NE 3.13Å; E13-R16 IonicContact OE1-NH2 3.38Å; E13-R16 PolarHBondContact OE1-NH2 3.29Å; E13-R16 IonicContact OE2-CZ 3.49Å; E13-R16 IonicContact OE2-NE 3.11Å; E13-R16 PolarHBondContact OE2-NE 2.81Å; E13-R16 IonicContact OE2-NH2 3.74Å; E13-L17 HydrophobicContact CG-CD1 3.86Å; E13-L17 HydrophobicContact CG-CG 4.4Å; E13-L17 WeakPolarHBondContact O-CB 3.34Å; E13-L17 WeakPolarHBondContact O-CD1 3.33Å; E13-L17 WeakPolarHBondContact O-CG 3.39Å; E13-L17 PolarHBondContact O-N 2.68Å; E13-E75 HydrophobicContact CB-CB 4.32Å; E13-E75 HydrophobicContact CB-CG 4.15Å; E13-E75 HydrophobicContact CG-CB 4.46Å; E13-E75 HydrophobicContact CG-CG 3.9Å; E13-Q79 HydrophobicContact CG-CG 4.07Å; E13-Q79 WeakPolarHBondContact OE1-CG 3.19Å; E13-Q79 PolarHBondContact OE1-NE2 2.94Å
14H97.9Very high97.2Very high0 Ų044.4 Ų44.40%022%0.215CC..Hα-helixtrans-56.6-48.4170.4-81.268.8000111.3A10 I11 L17 R18 L26 S78 W81 M104 F114 Y131A10-H14 WeakPolarHBondContact O-CB 2.98Å; A10-H14 PolarHBondContact O-N 2.77Å; A10-H14 PolarHBondContact O-ND1 3.45Å; I11-H14 PolarHBondContact O-N 3.24Å; H14-L17 PolarHBondContact O-N 3.13Å; H14-R18 VanDerWaalsContact O-CB 3.32Å; H14-R18 WeakPolarHBondContact O-CB 3.36Å; H14-R18 WeakPolarHBondContact O-CG 3.31Å; H14-R18 PolarHBondContact O-N 3.39Å; H14-L26 HydrophobicContact CB-CD1 4.47Å; H14-S78 PolarHBondContact CE1-OG 2.89Å; H14-S78 PolarHBondContact ND1-OG 3.48Å; H14-W81 AromaticContact CE1-CE3 3.92Å; H14-W81 AromaticContact CE1-CZ3 3.87Å; H14-W81 AromaticContact NE2-CE3 3.87Å; H14-W81 AromaticContact NE2-CZ3 3.94Å; H14-M104 WeakPolarHBondContact NE2-CE 3.29Å; H14-F114 AromaticContact CE1-CE1 3.37Å; H14-F114 WeakPolarHBondContact CE1-CE1 3.41Å; H14-F114 AromaticContact CE1-CZ 3.52Å; H14-F114 AromaticContact CG-CZ 3.99Å; H14-F114 AromaticContact ND1-CZ 3.67Å; H14-F114 AromaticContact NE2-CE1 3.56Å; H14-F114 AromaticContact NE2-CZ 3.74Å; H14-Y131 AromaticContact NE2-CE1 3.99Å; H14-Y131 PolarHBondContact NE2-OH 3.11Å; H14-Y131 VanDerWaalsContact NE2-OH 3.11Å
15N98.3Very high97.2Very high21 Ų2144.3 Ų44.311%0.11222%0.215CC..Hα-helixtrans-67.5-38.6-178.5-72.7-13.6000112.2I11 R12 E13 L17 R18 S19 E25 L26I11-N15 WeakPolarHBondContact O-CB 3.36Å; I11-N15 PolarHBondContact O-N 2.75Å; R12-N15 PolarHBondContact O-N 3.42Å; E13-N15 VanDerWaalsContact C-N 3.35Å; E13-N15 PolarHBondContact O-N 3.11Å; N15-L17 PolarHBondContact O-N 3.14Å; N15-R18 PolarHBondContact O-N 2.86Å; N15-S19 WeakPolarHBondContact O-CB 2.76Å; N15-S19 PolarHBondContact O-N 2.54Å; N15-E25 HydrophobicContact CB-CB 4.45Å; N15-E25 HydrophobicContact CB-CG 4.17Å; N15-L26 PolarHBondContact ND2-O 2.95Å; N15-L26 PolarHBondContact OD1-N 2.91Å
16R97.2Very high97.3Very high84 Ų8435.7 Ų35.732%0.31718%0.183SC..Hα-helixtrans-57.5-50.2170.8-168.9-168.571.380.4-2.9110.9R12 E13 S19 L204R12-R16 WeakPolarHBondContact O-CB 3.38Å; R12-R16 PolarHBondContact O-N 3.26Å; E13-R16 PolarHBondContact O-N 3.21Å; E13-R16 IonicContact OE1-CZ 3.8Å; E13-R16 IonicContact OE1-NE 2.83Å; E13-R16 PolarHBondContact OE1-NE 3.13Å; E13-R16 IonicContact OE1-NH2 3.38Å; E13-R16 PolarHBondContact OE1-NH2 3.29Å; E13-R16 IonicContact OE2-CZ 3.49Å; E13-R16 IonicContact OE2-NE 3.11Å; E13-R16 PolarHBondContact OE2-NE 2.81Å; E13-R16 IonicContact OE2-NH2 3.74Å; R16-S19 WeakPolarHBondContact O-CB 3.43Å; R16-S19 PolarHBondContact O-N 2.7Å; R16-S19 PolarHBondContact O-OG 3Å; R16-L204 PolarHBondContact NH1-O 3.14Å; R16-L204 VanDerWaalsContact NH1-O 3.12Å; R16-L204 PolarHBondContact NH2-O 2.61Å
17L96.3Very high97.3Very high1 Ų142.2 Ų42.21%0.00521%0.213CC..Hα-helixtrans-67.1-39-179.2-68.4167.4000112.4E13 H14 N15 S19 L20 H21 Y82 M104E13-L17 HydrophobicContact CG-CD1 3.86Å; E13-L17 HydrophobicContact CG-CG 4.4Å; E13-L17 WeakPolarHBondContact O-CB 3.34Å; E13-L17 WeakPolarHBondContact O-CD1 3.33Å; E13-L17 WeakPolarHBondContact O-CG 3.39Å; E13-L17 PolarHBondContact O-N 2.68Å; H14-L17 PolarHBondContact O-N 3.13Å; N15-L17 PolarHBondContact O-N 3.14Å; L17-S19 VanDerWaalsContact C-N 3.31Å; L17-S19 PolarHBondContact O-N 3.12Å; L17-L20 HydrophobicContact CD2-CD1 4.11Å; L17-L20 VanDerWaalsContact O-CB 3.31Å; L17-L20 WeakPolarHBondContact O-CB 3.33Å; L17-L20 PolarHBondContact O-N 3.04Å; L17-H21 PolarHBondContact O-CD2 3.45Å; L17-Y82 HydrophobicContact CB-CD2 3.83Å; L17-Y82 HydrophobicContact CB-CE2 3.97Å; L17-Y82 HydrophobicContact CB-CG 4.38Å; L17-Y82 HydrophobicContact CD1-CD1 4.49Å; L17-Y82 HydrophobicContact CD1-CD2 4.07Å; L17-Y82 HydrophobicContact CD1-CG 3.85Å; L17-Y82 HydrophobicContact CD2-CD1 3.73Å; L17-Y82 HydrophobicContact CD2-CD2 4Å; L17-Y82 HydrophobicContact CD2-CE1 3.81Å; L17-Y82 HydrophobicContact CD2-CE2 4.11Å; L17-Y82 HydrophobicContact CD2-CG 3.81Å; L17-Y82 HydrophobicContact CG-CD2 4.19Å; L17-Y82 HydrophobicContact CG-CG 4.23Å; L17-M104 HydrophobicContact CD1-CE 3.86Å
18R97.6Very high97.3Very high1 Ų145 Ų450%0.00423%0.228CC..Hα-helixtrans-62.4-36.7174.2-76.5175.568.588.8-5.3112.4H14 N15 L20 H21 G22 C23 P24 M104 I105 W106 T109H14-R18 VanDerWaalsContact O-CB 3.32Å; H14-R18 WeakPolarHBondContact O-CB 3.36Å; H14-R18 WeakPolarHBondContact O-CG 3.31Å; H14-R18 PolarHBondContact O-N 3.39Å; N15-R18 PolarHBondContact O-N 2.86Å; R18-L20 PolarHBondContact O-N 3.45Å; R18-H21 PolarHBondContact O-N 3.3Å; R18-G22 PolarHBondContact O-N 3.19Å; R18-C23 HydrophobicContact CB-CB 4.01Å; R18-C23 HydrophobicContact CG-CB 4.39Å; R18-C23 PolarHBondContact O-N 3.27Å; R18-C23 VanDerWaalsContact O-N 3.07Å; R18-P24 PolarHBondContact NE-O 3.17Å; R18-P24 PolarHBondContact NH2-O 2.76Å; R18-M104 WeakPolarHBondContact CD-O 3.03Å; R18-M104 WeakPolarHBondContact CG-O 3.34Å; R18-M104 PolarHBondContact NH1-O 3.01Å; R18-I105 HydrophobicContact CG-CG2 4.42Å; R18-W106 PolarHBondContact NH1-O 2.81Å; R18-W106 PolarHBondContact NH2-O 2.65Å; R18-T109 PolarHBondContact NH2-O 3.39Å; R18-T109 VanDerWaalsContact NH2-O 3.15Å
19S96.4Very high97.3Very high63 Ų6342.2 Ų42.244%0.44121%0.213SC..Hα-helixtrans-60.4-32.1177.781.40000112.6N15 R16 L17 H21 G22N15-S19 WeakPolarHBondContact O-CB 2.76Å; N15-S19 PolarHBondContact O-N 2.54Å; R16-S19 WeakPolarHBondContact O-CB 3.43Å; R16-S19 PolarHBondContact O-N 2.7Å; R16-S19 PolarHBondContact O-OG 3Å; L17-S19 VanDerWaalsContact C-N 3.31Å; L17-S19 PolarHBondContact O-N 3.12Å; S19-H21 PolarHBondContact O-N 3.11Å; S19-G22 PolarHBondContact O-N 3.11Å; S19-G22 VanDerWaalsContact O-N 3.09Å
20L94.8Very high97.3Very high4 Ų447.2 Ų47.22%0.02124%0.236CC..THydrogen-bonded Turntrans-65.2-18.9176.8-58.1176000113.2L17 R18 Y147 Q148 G149 I150 L204L17-L20 HydrophobicContact CD2-CD1 4.11Å; L17-L20 VanDerWaalsContact O-CB 3.31Å; L17-L20 WeakPolarHBondContact O-CB 3.33Å; L17-L20 PolarHBondContact O-N 3.04Å; R18-L20 PolarHBondContact O-N 3.45Å; L20-Y147 HydrophobicContact CB-CD2 3.92Å; L20-Y147 HydrophobicContact CB-CE2 3.7Å; L20-Y147 HydrophobicContact CD1-CE2 4.11Å; L20-Y147 HydrophobicContact CD2-CE2 4.19Å; L20-Y147 HydrophobicContact CG-CE2 4.21Å; L20-Q148 PolarHBondContact O-N 3.05Å; L20-G149 PolarHBondContact O-N 3.27Å; L20-I150 HydrophobicContact CD2-CG1 3.68Å; L20-L204 HydrophobicContact CD1-CD2 4Å
21H94.9Very high97.2Very high0 Ų052.9 Ų52.90%027%0.267CS..THydrogen-bonded Turntrans-107.81.5178.6-69.3-93.1000112.4L17 R18 S19 C23 Y82 F101 I105 P145 Q148L17-H21 PolarHBondContact O-CD2 3.45Å; R18-H21 PolarHBondContact O-N 3.3Å; S19-H21 PolarHBondContact O-N 3.11Å; H21-C23 PolarHBondContact O-N 3.1Å; H21-Y82 AromaticContact CD2-CE2 3.88Å; H21-Y82 AromaticContact NE2-CE2 3.43Å; H21-Y82 WeakPolarHBondContact NE2-CE2 3.28Å; H21-Y82 AromaticContact NE2-CZ 3.46Å; H21-Y82 PolarHBondContact NE2-OH 2.93Å; H21-F101 AromaticContact CE1-CE2 3.9Å; H21-F101 AromaticContact CE1-CZ 3.68Å; H21-F101 AromaticContact NE2-CE2 3.79Å; H21-I105 HydrophobicContact CB-CD1 4.41Å; H21-I105 WeakPolarHBondContact ND1-CD1 3.37Å; H21-P145 HydrophobicContact CB-CG 4.15Å; H21-P145 PolarHBondContact ND1-O 2.89Å; H21-P145 WeakPolarHBondContact O-CG 3.26Å; H21-Q148 PolarHBondContact O-NE2 2.99Å
22G94.6Very high97.2Very high32 Ų3252.8 Ų52.833%0.3327%0.266SS..THydrogen-bonded Turntrans68.322-174.900000113.8R18 S19R18-G22 PolarHBondContact O-N 3.19Å; S19-G22 PolarHBondContact O-N 3.11Å; S19-G22 VanDerWaalsContact O-N 3.09Å
23C96.8Very high97.2Very high9 Ų945.9 Ų45.96%0.06124%0.241CC..PPolyproline II helixtrans-83.2142176.6-66.60000110.8R18 H21 I105 P145R18-C23 HydrophobicContact CB-CB 4.01Å; R18-C23 HydrophobicContact CG-CB 4.39Å; R18-C23 PolarHBondContact O-N 3.27Å; R18-C23 VanDerWaalsContact O-N 3.07Å; H21-C23 PolarHBondContact O-N 3.1Å; C23-I105 PolarHBondContact SG-O 3.35Å; C23-P145 WeakPolarHBondContact SG-CG 3.45Å
24P97.4Very high97.1Very high73 Ų7349.3 Ų49.347%0.47426%0.259SS..PPolyproline II helixtrans-59152.5175-22.533000112.2R18R18-P24 PolarHBondContact NE-O 3.17Å; R18-P24 PolarHBondContact NH2-O 2.76Å
25E98.1Very high97.1Very high142 Ų14251.4 Ų51.466%0.66427%0.274SS*.PPolyproline II helixtrans-64.5143.4176.3-64.6-172.5158.900111.9N15N15-E25 HydrophobicContact CB-CB 4.45Å; N15-E25 HydrophobicContact CB-CG 4.17Å
26L98.5Very high97Very high4 Ų450.4 Ų50.42%0.02127%0.268CS..PPolyproline II helixtrans-82.1143.3168.7-61.3176.2000109.7I11 H14 N15 T109 T110 A112 Y131I11-L26 HydrophobicContact CD1-CB 3.65Å; H14-L26 HydrophobicContact CB-CD1 4.47Å; N15-L26 PolarHBondContact ND2-O 2.95Å; N15-L26 PolarHBondContact OD1-N 2.91Å; L26-T109 HydrophobicContact CD2-CG2 3.72Å; L26-T109 WeakPolarHBondContact CD2-O 3.36Å; L26-T110 WeakPolarHBondContact CA-O 3.19Å; L26-A112 HydrophobicContact CD1-CB 4.01Å; L26-Y131 HydrophobicContact CD1-CD1 4.45Å; L26-Y131 HydrophobicContact CD1-CE1 4.5Å
27Q98.3Very high97.1Very high142 Ų14247 Ų4766%0.66426%0.256SS*.EExtended strand (participates in β ladder)trans-98.2141.4169.4-62.2178.310.200109.7T110 R111 A112Q27-T110 PolarHBondContact N-O 3.43Å; Q27-R111 CarbonylContact O-C 3.58Å; Q27-R111 VanDerWaalsContact O-CA 3.29Å; Q27-R111 WeakPolarHBondContact O-CA 3.26Å; Q27-A112 PolarHBondContact O-N 3.45Å
28L98.1Very high97.1Very high60 Ų6053.5 Ų53.531%0.31428%0.284SS..EExtended strand (participates in β ladder)trans-67.3136.2168.6-80.8174.2000109.6N7 I11 M33 A112 F114N7-L28 HydrophobicContact CB-CD1 4.13Å; N7-L28 HydrophobicContact CB-CD2 4.12Å; I11-L28 HydrophobicContact CB-CD1 4.22Å; I11-L28 HydrophobicContact CB-CD2 3.94Å; I11-L28 HydrophobicContact CB-CG 3.84Å; I11-L28 HydrophobicContact CD1-CD2 4.11Å; I11-L28 HydrophobicContact CD1-CG 4.18Å; I11-L28 HydrophobicContact CG1-CD2 4.21Å; I11-L28 HydrophobicContact CG1-CG 3.89Å; I11-L28 HydrophobicContact CG2-CD1 3.79Å; I11-L28 HydrophobicContact CG2-CD2 4.43Å; I11-L28 HydrophobicContact CG2-CG 3.92Å; L28-M33 HydrophobicContact CB-SD 4.13Å; L28-M33 HydrophobicContact CD1-SD 4.47Å; L28-M33 HydrophobicContact CD2-CG 4.43Å; L28-M33 HydrophobicContact CD2-SD 4.07Å; L28-M33 HydrophobicContact CG-SD 4.45Å; L28-A112 WeakPolarHBondContact CA-O 3.33Å; L28-F114 HydrophobicContact CD2-CD2 4.11Å; L28-F114 HydrophobicContact CD2-CE2 4.13Å
29D98Very high97Very high21 Ų2154.9 Ų54.911%0.11229%0.29CS..  trans-122.3122.3177.1-178.9-73.8000109.8D31 L32 M33 R111 A112D29-D31 PolarHBondContact O-N 2.71Å; D29-D31 WeakPolarHBondContact OD1-CB 3.48Å; D29-D31 PolarHBondContact OD1-N 2.98Å; D29-D31 VanDerWaalsContact OD1-N 3.09Å; D29-L32 HydrophobicContact CB-CB 4.12Å; D29-L32 HydrophobicContact CB-CD1 3.95Å; D29-L32 HydrophobicContact CB-CG 3.97Å; D29-L32 PolarHBondContact O-N 2.93Å; D29-L32 PolarHBondContact OD1-N 3.05Å; D29-M33 VanDerWaalsContact O-CG 3.24Å; D29-M33 WeakPolarHBondContact O-CG 3.49Å; D29-M33 PolarHBondContact O-N 2.83Å; D29-R111 HydrophobicContact CB-CB 4.03Å; D29-R111 HydrophobicContact CB-CG 4.49Å; D29-R111 VanDerWaalsContact OD2-CD 3.3Å; D29-R111 WeakPolarHBondContact OD2-CD 3.37Å; D29-R111 IonicContact OD2-CZ 2.67Å; D29-R111 IonicContact OD2-NE 3.93Å; D29-R111 IonicContact OD2-NH1 3.6Å; D29-R111 PolarHBondContact OD2-NH1 2.98Å; D29-A112 PolarHBondContact N-O 2.8Å
30E97.1Very high97.1Very high138 Ų13851.9 Ų51.965%0.64527%0.269SS*.Hα-helixtrans-64.2-38.5-172.5-169.9175.3-178.300112.4L32 M33 I34E30-L32 VanDerWaalsContact C-N 3.35Å; E30-L32 PolarHBondContact O-N 2.76Å; E30-M33 WeakPolarHBondContact O-CB 3.36Å; E30-M33 PolarHBondContact O-N 3.11Å; E30-I34 HydrophobicContact CG-CD1 4.17Å; E30-I34 VanDerWaalsContact O-CG1 3.32Å; E30-I34 WeakPolarHBondContact O-CG1 3.27Å; E30-I34 PolarHBondContact O-N 2.96Å
31D96.7Very high97.2Very high122 Ų12255.7 Ų55.765%0.65229%0.286SS*.Hα-helixtrans-64.5-42.1177-70.3-32000110.6D29 M33 S35D29-D31 PolarHBondContact O-N 2.71Å; D29-D31 WeakPolarHBondContact OD1-CB 3.48Å; D29-D31 PolarHBondContact OD1-N 2.98Å; D29-D31 VanDerWaalsContact OD1-N 3.09Å; D31-M33 VanDerWaalsContact C-N 3.34Å; D31-S35 WeakPolarHBondContact O-CB 3.44Å; D31-S35 PolarHBondContact O-N 3.24Å
32L97.5Very high97.2Very high12 Ų1258.9 Ų58.96%0.06330%0.303CS..Hα-helixtrans-63.5-39.4174-64.8-175.8000111.8D29 E30 S35 A36 R111 R130 L132D29-L32 HydrophobicContact CB-CB 4.12Å; D29-L32 HydrophobicContact CB-CD1 3.95Å; D29-L32 HydrophobicContact CB-CG 3.97Å; D29-L32 PolarHBondContact O-N 2.93Å; D29-L32 PolarHBondContact OD1-N 3.05Å; E30-L32 VanDerWaalsContact C-N 3.35Å; E30-L32 PolarHBondContact O-N 2.76Å; L32-S35 PolarHBondContact O-N 3.4Å; L32-A36 WeakPolarHBondContact O-CB 3.09Å; L32-A36 PolarHBondContact O-N 2.9Å; L32-R111 HydrophobicContact CD1-CB 4.12Å; L32-R130 HydrophobicContact CB-CB 4.44Å; L32-R130 HydrophobicContact CD2-CB 4.26Å; L32-L132 HydrophobicContact CD1-CB 3.97Å
33M98.1Very high97.1Very high22 Ų2257.4 Ų57.411%0.10829%0.288CS..Hα-helixtrans-63.1-48.9177.2-69.6166.255.100111.7I2 N7 L28 D29 E30 D31 S35 A36 Q37I2-M33 HydrophobicContact CD1-CB 4.13Å; I2-M33 HydrophobicContact CG2-CB 4.14Å; I2-M33 HydrophobicContact CG2-CE 3.54Å; N7-M33 HydrophobicContact CB-CE 4.12Å; N7-M33 WeakPolarHBondContact OD1-CG 3.49Å; L28-M33 HydrophobicContact CB-SD 4.13Å; L28-M33 HydrophobicContact CD1-SD 4.47Å; L28-M33 HydrophobicContact CD2-CG 4.43Å; L28-M33 HydrophobicContact CD2-SD 4.07Å; L28-M33 HydrophobicContact CG-SD 4.45Å; D29-M33 VanDerWaalsContact O-CG 3.24Å; D29-M33 WeakPolarHBondContact O-CG 3.49Å; D29-M33 PolarHBondContact O-N 2.83Å; E30-M33 WeakPolarHBondContact O-CB 3.36Å; E30-M33 PolarHBondContact O-N 3.11Å; D31-M33 VanDerWaalsContact C-N 3.34Å; M33-S35 VanDerWaalsContact C-N 3.3Å; M33-S35 PolarHBondContact O-N 3Å; M33-A36 PolarHBondContact O-N 3.18Å; M33-Q37 VanDerWaalsContact O-CB 3.26Å; M33-Q37 WeakPolarHBondContact O-CB 3.09Å; M33-Q37 PolarHBondContact O-N 3.33Å
34I97.3Very high97Very high85 Ų8557.4 Ų57.444%0.43629%0.289SS..Hα-helixtrans-57.8-47.6176.4-68.5165.5000110I2 E30 Q37 K38I2-I34 HydrophobicContact CD1-CG1 3.52Å; I2-I34 HydrophobicContact CG1-CG1 4.33Å; E30-I34 HydrophobicContact CG-CD1 4.17Å; E30-I34 VanDerWaalsContact O-CG1 3.32Å; E30-I34 WeakPolarHBondContact O-CG1 3.27Å; E30-I34 PolarHBondContact O-N 2.96Å; I34-Q37 PolarHBondContact O-N 3.01Å; I34-K38 WeakPolarHBondContact O-CB 3.13Å; I34-K38 PolarHBondContact O-N 2.98Å
35S96.1Very high96.9Very high43 Ų4358.1 Ų58.130%0.30130%0.301SS..Hα-helixtrans-69.4-40.9-174.5-151.10000112D31 L32 M33 W39 R130D31-S35 WeakPolarHBondContact O-CB 3.44Å; D31-S35 PolarHBondContact O-N 3.24Å; L32-S35 PolarHBondContact O-N 3.4Å; M33-S35 VanDerWaalsContact C-N 3.3Å; M33-S35 PolarHBondContact O-N 3Å; S35-W39 PolarHBondContact O-N 3.3Å; S35-W39 VanDerWaalsContact O-N 3.14Å; S35-R130 VanDerWaalsContact C-NH1 3.28Å; S35-R130 PolarHBondContact O-NH1 2.91Å; S35-R130 PolarHBondContact OG-NH1 3.34Å
36A97.5Very high96.6Very high0 Ų053.5 Ų53.50%029%0.286CS..Hα-helixtrans-65.3-42.2173.900000111.9L32 M33 W39 A40 V128 R130L32-A36 WeakPolarHBondContact O-CB 3.09Å; L32-A36 PolarHBondContact O-N 2.9Å; M33-A36 PolarHBondContact O-N 3.18Å; A36-W39 PolarHBondContact O-N 3.26Å; A36-A40 PolarHBondContact O-N 3.08Å; A36-V128 HydrophobicContact CB-CB 4.28Å; A36-V128 HydrophobicContact CB-CG1 4.12Å; A36-R130 HydrophobicContact CB-CB 4.48Å; A36-R130 HydrophobicContact CB-CG 4.05Å
37Q98Very high96.3Very high13 Ų1357.5 Ų57.56%0.06131%0.305CS..Hα-helixtrans-61.9-45.5177.2-176.760.340.200111.7M33 I34 W39 A40 E41 L116M33-Q37 VanDerWaalsContact O-CB 3.26Å; M33-Q37 WeakPolarHBondContact O-CB 3.09Å; M33-Q37 PolarHBondContact O-N 3.33Å; I34-Q37 PolarHBondContact O-N 3.01Å; Q37-W39 VanDerWaalsContact C-N 3.27Å; Q37-W39 PolarHBondContact O-N 2.97Å; Q37-A40 PolarHBondContact O-N 3.12Å; Q37-E41 PolarHBondContact NE2-OE1 3.42Å; Q37-E41 WeakPolarHBondContact O-CG 3.35Å; Q37-E41 PolarHBondContact O-N 3.29Å; Q37-L116 PolarHBondContact NE2-O 2.93Å; Q37-L116 PolarHBondContact OE1-O 2.99Å
38K97Very high95.7Very high138 Ų13855.5 Ų55.560%0.629%0.294SS*.Hα-helixtrans-59.1-39.8175.4-176.2177-179.5179.50111.8I34 N42I34-K38 WeakPolarHBondContact O-CB 3.13Å; I34-K38 PolarHBondContact O-N 2.98Å; K38-N42 VanDerWaalsContact O-CG 3.27Å; K38-N42 PolarHBondContact O-N 3.12Å; K38-N42 VanDerWaalsContact O-N 3.08Å
39W96.5Very high95.1Very high30 Ų3054.4 Ų54.411%0.11429%0.289CS..Hα-helixtrans-69.8-42.1177.2-164.8-116.3000112.2S35 A36 Q37 E41 N42 L43 Y50 S52 V128S35-W39 PolarHBondContact O-N 3.3Å; S35-W39 VanDerWaalsContact O-N 3.14Å; A36-W39 PolarHBondContact O-N 3.26Å; Q37-W39 VanDerWaalsContact C-N 3.27Å; Q37-W39 PolarHBondContact O-N 2.97Å; W39-E41 VanDerWaalsContact C-N 3.28Å; W39-E41 PolarHBondContact O-N 3.48Å; W39-N42 HydrophobicContact CE3-CB 4.24Å; W39-N42 WeakPolarHBondContact O-CB 3.34Å; W39-N42 PolarHBondContact O-N 3.45Å; W39-N42 VanDerWaalsContact O-N 3.1Å; W39-L43 HydrophobicContact CZ2-CD2 4.34Å; W39-L43 WeakPolarHBondContact O-CG 3.31Å; W39-L43 PolarHBondContact O-N 3.49Å; W39-Y50 HydrophobicContact CH2-CD2 4.46Å; W39-Y50 AromaticContact CH2-CE2 3.67Å; W39-Y50 HydrophobicContact CH2-CE2 3.67Å; W39-Y50 AromaticContact CZ2-CD2 3.88Å; W39-Y50 HydrophobicContact CZ2-CD2 3.88Å; W39-Y50 AromaticContact CZ2-CE2 3.46Å; W39-Y50 HydrophobicContact CZ2-CE2 3.46Å; W39-Y50 VanDerWaalsContact CZ2-CE2 3.46Å; W39-Y50 PolarHBondContact NE1-O 2.9Å; W39-S52 VanDerWaalsContact CE2-CB 3.44Å; W39-V128 HydrophobicContact CB-CG1 4.4Å; W39-V128 HydrophobicContact CB-CG2 4.2Å; W39-V128 HydrophobicContact CG-CG2 4.32Å
40A96.8Very high94.7Very high0 Ų057 Ų570%030%0.297CS..Hα-helixtrans-57.1-43.7174.800000111.5A36 Q37 N42 L43 A44 A117 V128A36-A40 PolarHBondContact O-N 3.08Å; Q37-A40 PolarHBondContact O-N 3.12Å; A40-N42 PolarHBondContact O-N 2.99Å; A40-L43 PolarHBondContact O-N 2.94Å; A40-A44 WeakPolarHBondContact O-CB 3.33Å; A40-A44 PolarHBondContact O-N 3.3Å; A40-A117 VanDerWaalsContact C-CB 3.4Å; A40-A117 HydrophobicContact CB-CB 3.94Å; A40-A117 WeakPolarHBondContact O-CB 3.32Å; A40-V128 HydrophobicContact CB-CG2 3.87Å
41E97.4Very high94.2Very high83 Ų8352.8 Ų52.839%0.38828%0.278SS..Hα-helixtrans-61.4-40.9175.4-70.8167.9-174.400111.9M1 Q37 W39 A44 A45 A117M1-E41 PolarHBondContact N-OE1 3.14Å; Q37-E41 PolarHBondContact NE2-OE1 3.42Å; Q37-E41 WeakPolarHBondContact O-CG 3.35Å; Q37-E41 PolarHBondContact O-N 3.29Å; W39-E41 VanDerWaalsContact C-N 3.28Å; W39-E41 PolarHBondContact O-N 3.48Å; E41-A44 PolarHBondContact O-N 2.97Å; E41-A45 WeakPolarHBondContact O-CB 3.43Å; E41-A45 PolarHBondContact O-N 3.36Å; E41-A117 HydrophobicContact CB-CB 4.49Å; E41-A117 HydrophobicContact CG-CB 4.06Å
42N95.8Very high93.8Very high68 Ų6847.6 Ų47.636%0.36425%0.251SS..Hα-helixtrans-63.1-43.9174-69.8-18.3000112.4K38 W39 A40 A44 A45 A46K38-N42 VanDerWaalsContact O-CG 3.27Å; K38-N42 PolarHBondContact O-N 3.12Å; K38-N42 VanDerWaalsContact O-N 3.08Å; W39-N42 HydrophobicContact CE3-CB 4.24Å; W39-N42 WeakPolarHBondContact O-CB 3.34Å; W39-N42 PolarHBondContact O-N 3.45Å; W39-N42 VanDerWaalsContact O-N 3.1Å; A40-N42 PolarHBondContact O-N 2.99Å; N42-A44 VanDerWaalsContact C-N 3.33Å; N42-A45 PolarHBondContact O-N 3.09Å; N42-A46 WeakPolarHBondContact O-CB 3.28Å; N42-A46 PolarHBondContact O-N 3.07Å
43L93.1Very high93.2Very high0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-63.4-41.1178.2-64.9173.3000111.5W39 A40 A46 E47 K48 L49 Y50 L61 Y126 V128W39-L43 HydrophobicContact CZ2-CD2 4.34Å; W39-L43 WeakPolarHBondContact O-CG 3.31Å; W39-L43 PolarHBondContact O-N 3.49Å; A40-L43 PolarHBondContact O-N 2.94Å; L43-A46 PolarHBondContact O-N 3.24Å; L43-E47 WeakPolarHBondContact O-CA 3.19Å; L43-E47 PolarHBondContact O-N 3.46Å; L43-K48 WeakPolarHBondContact CB-O 3.47Å; L43-K48 WeakPolarHBondContact CD2-O 3.39Å; L43-K48 PolarHBondContact O-N 3.38Å; L43-L49 HydrophobicContact CD1-CD1 4.3Å; L43-Y50 HydrophobicContact CD2-CD1 3.87Å; L43-Y50 HydrophobicContact CD2-CE1 3.86Å; L43-Y50 HydrophobicContact CD2-CG 4.29Å; L43-Y50 WeakPolarHBondContact CD2-O 3.48Å; L43-L61 HydrophobicContact CD1-CD2 4.04Å; L43-Y126 HydrophobicContact CB-CD1 3.74Å; L43-Y126 HydrophobicContact CB-CE1 4.49Å; L43-Y126 HydrophobicContact CB-CG 4.09Å; L43-V128 HydrophobicContact CD1-CG2 3.66Å
44A94.5Very high92.2Very high10 Ų1060 Ų608%0.08331%0.308CS..Hα-helixtrans-65.4-41175.500000112.4A40 E41 N42 E47 A117 Y126A40-A44 WeakPolarHBondContact O-CB 3.33Å; A40-A44 PolarHBondContact O-N 3.3Å; E41-A44 PolarHBondContact O-N 2.97Å; N42-A44 VanDerWaalsContact C-N 3.33Å; A44-E47 PolarHBondContact O-N 2.86Å; A44-A117 HydrophobicContact CB-CB 3.76Å; A44-Y126 HydrophobicContact CB-CD2 3.66Å; A44-Y126 HydrophobicContact CB-CE2 4.16Å; A44-Y126 HydrophobicContact CB-CG 4.27Å
45A95.1Very high91.2Very high88 Ų8861.9 Ų61.973%0.72732%0.318SS*.Hα-helixtrans-68.7-37.6176.800000112.7E41 N42 E47E41-A45 WeakPolarHBondContact O-CB 3.43Å; E41-A45 PolarHBondContact O-N 3.36Å; N42-A45 PolarHBondContact O-N 3.09Å; A45-E47 VanDerWaalsContact C-N 3.26Å
46A92.4Very high90.8Very high44 Ų4465.7 Ų65.736%0.36434%0.336SS..Hα-helixtrans-78-12.5175.900000113.3N42 L43 K48 Y50N42-A46 WeakPolarHBondContact O-CB 3.28Å; N42-A46 PolarHBondContact O-N 3.07Å; L43-A46 PolarHBondContact O-N 3.24Å; A46-K48 HydrophobicContact CB-CB 4.42Å; A46-K48 WeakPolarHBondContact O-CG 3.36Å; A46-K48 PolarHBondContact O-N 3.31Å; A46-Y50 HydrophobicContact CB-CE1 4.37Å
47E90.2Very high90.5Very high89 Ų8967 Ų6742%0.41634%0.341SS..THydrogen-bonded Turntrans49.730.5-168.4-60.4-153.7124.600114.6L43 A44 A45 K124 Y126L43-E47 WeakPolarHBondContact O-CA 3.19Å; L43-E47 PolarHBondContact O-N 3.46Å; A44-E47 PolarHBondContact O-N 2.86Å; A45-E47 VanDerWaalsContact C-N 3.26Å; E47-K124 IonicContact OE1-NZ 3.13Å; E47-K124 PolarHBondContact OE1-NZ 3.42Å; E47-K124 IonicContact OE2-NZ 2.81Å; E47-K124 PolarHBondContact OE2-NZ 3.4Å; E47-K124 VanDerWaalsContact OE2-NZ 3.11Å; E47-Y126 VanDerWaalsContact C-OH 3.24Å; E47-Y126 VanDerWaalsContact CA-OH 3.24Å; E47-Y126 WeakPolarHBondContact CA-OH 3.36Å; E47-Y126 PolarHBondContact O-OH 3.49Å
48K86.4Confident90.3Very high100 Ų10066.6 Ų66.644%0.43534%0.34SS..  trans-131145.7-175.3-71.6173.4-177.4-175.30110.5L43 A46 Y50L43-K48 WeakPolarHBondContact CB-O 3.47Å; L43-K48 WeakPolarHBondContact CD2-O 3.39Å; L43-K48 PolarHBondContact O-N 3.38Å; A46-K48 HydrophobicContact CB-CB 4.42Å; A46-K48 WeakPolarHBondContact O-CG 3.36Å; A46-K48 PolarHBondContact O-N 3.31Å; K48-Y50 HydrophobicContact CB-CD1 3.82Å; K48-Y50 HydrophobicContact CB-CE1 3.91Å
49L86.4Confident90.2Very high37 Ų3761.1 Ų61.119%0.19432%0.317CS..  trans-103.3114.5174.3-162.975000108.8L43 L61 F63 Y126 E421L43-L49 HydrophobicContact CD1-CD1 4.3Å; L49-L61 HydrophobicContact CD1-CB 4.07Å; L49-L61 HydrophobicContact CD1-CD1 4.37Å; L49-L61 HydrophobicContact CD2-CB 4.43Å; L49-L61 HydrophobicContact CG-CB 4.25Å; L49-L61 HydrophobicContact CG-CD1 4.23Å; L49-F63 HydrophobicContact CD1-CB 4.18Å; L49-F63 HydrophobicContact CD2-CB 3.94Å; L49-Y126 HydrophobicContact CD1-CD1 4.17Å; L49-E421 HydrophobicContact CD2-CB 4.08Å
50Y88Confident90.2Very high74 Ų7459.8 Ų59.829%0.2931%0.312SS..  trans-157.7151.9175.959.8-82.8000110.2W39 L43 A46 K48 L61W39-Y50 HydrophobicContact CH2-CD2 4.46Å; W39-Y50 AromaticContact CH2-CE2 3.67Å; W39-Y50 HydrophobicContact CH2-CE2 3.67Å; W39-Y50 AromaticContact CZ2-CD2 3.88Å; W39-Y50 HydrophobicContact CZ2-CD2 3.88Å; W39-Y50 AromaticContact CZ2-CE2 3.46Å; W39-Y50 HydrophobicContact CZ2-CE2 3.46Å; W39-Y50 VanDerWaalsContact CZ2-CE2 3.46Å; W39-Y50 PolarHBondContact NE1-O 2.9Å; L43-Y50 HydrophobicContact CD2-CD1 3.87Å; L43-Y50 HydrophobicContact CD2-CE1 3.86Å; L43-Y50 HydrophobicContact CD2-CG 4.29Å; L43-Y50 WeakPolarHBondContact CD2-O 3.48Å; A46-Y50 HydrophobicContact CB-CE1 4.37Å; K48-Y50 HydrophobicContact CB-CD1 3.82Å; K48-Y50 HydrophobicContact CB-CE1 3.91Å; Y50-L61 WeakPolarHBondContact O-CD1 3.47Å
51H87.9Confident90Very high51 Ų5159.8 Ų59.824%0.23631%0.312CS..  trans-65150.3178.6-82.2-64.5000113.1E59 E421H51-E59 WeakPolarHBondContact CA-OE1 3.41Å; H51-E59 PolarHBondContact CE1-O 3.36Å; H51-E59 IonicContact CE1-OE1 3.8Å; H51-E59 IonicContact CG-OE1 3.38Å; H51-E59 IonicContact ND1-OE1 3.98Å; H51-E59 PolarHBondContact ND1-OE1 3.05Å; H51-E421 IonicContact CD2-OE1 3.61Å; H51-E421 IonicContact CD2-OE2 2.79Å; H51-E421 PolarHBondContact CD2-OE2 3.12Å; H51-E421 IonicContact NE2-OE2 3.9Å
52S88.7Confident89.7Confident12 Ų1255.9 Ų55.98%0.08429%0.294CS..  trans-71.3153.2169.669.60000111.6W39 Y54 Y57 E59 R130W39-S52 VanDerWaalsContact CE2-CB 3.44Å; S52-Y54 PolarHBondContact O-N 3.46Å; S52-Y54 VanDerWaalsContact O-N 3.16Å; S52-Y57 PolarHBondContact OG-OH 3.11Å; S52-E59 WeakPolarHBondContact CB-OE2 3.4Å; S52-E59 PolarHBondContact N-OE1 2.92Å; S52-E59 PolarHBondContact OG-OE2 3.14Å; S52-R130 PolarHBondContact OG-NH2 3.17Å
53N83.6Confident89.4Confident148 Ų14853.8 Ų53.879%0.79128%0.281SS*.SBendtrans-75.53.7-179.7-66.9-18.3000113.8
54Y77.8Confident89.1Confident148 Ų14854.4 Ų54.458%0.5828%0.284SS*.  trans-95.4124.1-174.7-67.7-79.6000110.5S52 Y57S52-Y54 PolarHBondContact O-N 3.46Å; S52-Y54 VanDerWaalsContact O-N 3.16Å; Y54-Y57 VanDerWaalsContact CB-CZ 3.41Å; Y54-Y57 WeakPolarHBondContact CB-OH 3.38Å; Y54-Y57 WeakPolarHBondContact CD2-OH 3.49Å; Y54-Y57 VanDerWaalsContact CG-OH 3.28Å
55N76.7Confident88.7Confident123 Ų12356.9 Ų56.966%0.65829%0.294SS*.  trans-99.55.7-174.8-68.8-37000114.4K137N55-K137 PolarHBondContact O-NZ 2.97Å
56D87.2Confident88.1Confident124 Ų12453 Ų5366%0.66326%0.263SS*.SBendtrans-81.5-16.9-173.3-63.4-23.8000113.1L132D56-L132 VanDerWaalsContact O-CD1 3.23Å; D56-L132 WeakPolarHBondContact O-CD1 3.34Å
57Y91.7Very high87.7Confident27 Ų2755.4 Ų55.411%0.10628%0.282CS..SBendtrans-129156.8175.640.4-100.3000110.4S52 Y54 R130 Y131S52-Y57 PolarHBondContact OG-OH 3.11Å; Y54-Y57 VanDerWaalsContact CB-CZ 3.41Å; Y54-Y57 WeakPolarHBondContact CB-OH 3.38Å; Y54-Y57 WeakPolarHBondContact CD2-OH 3.49Å; Y54-Y57 VanDerWaalsContact CG-OH 3.28Å; Y57-R130 HydrophobicContact CD2-CB 4.42Å; Y57-R130 HydrophobicContact CD2-CG 3.93Å; Y57-R130 HydrophobicContact CE2-CG 4.21Å; Y57-R130 HydrophobicContact CG-CG 4.48Å; Y57-R130 PolarHBondContact OH-NH1 3.24Å; Y57-R130 PolarHBondContact OH-NH2 3.04Å; Y57-Y131 CarbonylContact C-O 3.53Å; Y57-Y131 WeakPolarHBondContact CA-O 3.18Å; Y57-Y131 WeakPolarHBondContact CB-O 3.43Å
58G94Very high87.4Confident5 Ų554 Ų545%0.05228%0.282CS..EExtended strand (participates in β ladder)trans-71.8152.1162.800000110.3R130 Y131G58-R130 VanDerWaalsContact O-CA 3.28Å; G58-R130 WeakPolarHBondContact O-CA 3.46Å; G58-Y131 PolarHBondContact N-O 2.97Å; G58-Y131 PolarHBondContact O-N 2.85Å
59E94.6Very high87.5Confident23 Ų2353.4 Ų53.411%0.10729%0.288CS..EExtended strand (participates in β ladder)trans-139.1132.3-179.3-166.917380.800111H51 S52 L61 V128 G129 R130H51-E59 WeakPolarHBondContact CA-OE1 3.41Å; H51-E59 PolarHBondContact CE1-O 3.36Å; H51-E59 IonicContact CE1-OE1 3.8Å; H51-E59 IonicContact CG-OE1 3.38Å; H51-E59 IonicContact ND1-OE1 3.98Å; H51-E59 PolarHBondContact ND1-OE1 3.05Å; S52-E59 WeakPolarHBondContact CB-OE2 3.4Å; S52-E59 PolarHBondContact N-OE1 2.92Å; S52-E59 PolarHBondContact OG-OE2 3.14Å; E59-L61 HydrophobicContact CG-CD2 4.01Å; E59-L61 HydrophobicContact CG-CG 4.47Å; E59-V128 HydrophobicContact CG-CG1 4.05Å; E59-G129 CarbonylContact C-O 3.55Å; E59-G129 VanDerWaalsContact CA-O 3.29Å; E59-G129 WeakPolarHBondContact CA-O 3.29Å; E59-R130 IonicContact OE2-CZ 2.73Å; E59-R130 IonicContact OE2-NE 2.7Å; E59-R130 PolarHBondContact OE2-NE 2.92Å; E59-R130 IonicContact OE2-NH2 3.53Å; E59-R130 PolarHBondContact OE2-NH2 3.31Å
60N95.5Very high87.5Confident2 Ų252 Ų521%0.01128%0.282CS..EExtended strand (participates in β ladder)trans-118.7138168.8-78.95.3000108.7W81 H100 Q103 V128 G129 Y131N60-W81 HydrophobicContact CB-CD2 3.9Å; N60-W81 HydrophobicContact CB-CE3 4.1Å; N60-W81 HydrophobicContact CB-CH2 3.87Å; N60-W81 HydrophobicContact CB-CZ2 3.63Å; N60-W81 HydrophobicContact CB-CZ3 4.09Å; N60-H100 WeakPolarHBondContact ND2-CA 3.33Å; N60-H100 PolarHBondContact ND2-O 2.81Å; N60-Q103 WeakPolarHBondContact OD1-CB 3.34Å; N60-V128 CarbonylContact O-C 3.56Å; N60-V128 WeakPolarHBondContact O-CA 3.28Å; N60-G129 PolarHBondContact N-O 3.14Å; N60-G129 PolarHBondContact O-N 3.14Å; N60-Y131 HydrophobicContact CB-CE2 3.77Å; N60-Y131 PolarHBondContact ND2-OH 3.19Å
61L93.7Very high87.6Confident0 Ų056.3 Ų56.30%031%0.305CS..EExtended strand (participates in β ladder)trans-118.1146.4178.1-60-175.6000110.9L43 L49 Y50 E59 W81 V127 V128L43-L61 HydrophobicContact CD1-CD2 4.04Å; L49-L61 HydrophobicContact CD1-CB 4.07Å; L49-L61 HydrophobicContact CD1-CD1 4.37Å; L49-L61 HydrophobicContact CD2-CB 4.43Å; L49-L61 HydrophobicContact CG-CB 4.25Å; L49-L61 HydrophobicContact CG-CD1 4.23Å; Y50-L61 WeakPolarHBondContact O-CD1 3.47Å; E59-L61 HydrophobicContact CG-CD2 4.01Å; E59-L61 HydrophobicContact CG-CG 4.47Å; L61-W81 PolarHBondContact O-NE1 3.48Å; L61-V127 WeakPolarHBondContact CA-O 3.46Å; L61-V128 HydrophobicContact CD2-CB 4.19Å; L61-V128 HydrophobicContact CD2-CG1 4.01Å; L61-V128 HydrophobicContact CD2-CG2 3.75Å
62A91.2Very high87.8Confident1 Ų154.7 Ų54.71%0.00830%0.297CS..EExtended strand (participates in β ladder)trans-141.5149.3168.900000110.8V77 W81 V127A62-V77 HydrophobicContact CB-CG1 4.1Å; A62-W81 HydrophobicContact CB-CZ2 4.04Å; A62-V127 HydrophobicContact CB-CB 4.14Å; A62-V127 PolarHBondContact N-O 3.25Å; A62-V127 PolarHBondContact O-N 3.15Å
63F88Confident88Confident23 Ų2356.5 Ų56.510%0.10131%0.308CS..EExtended strand (participates in β ladder)trans-131.3137.5178.7175-100.5000110L49 M65 K124 A125 Y126 I418 V419L49-F63 HydrophobicContact CD1-CB 4.18Å; L49-F63 HydrophobicContact CD2-CB 3.94Å; F63-M65 HydrophobicContact CE1-CB 3.87Å; F63-M65 HydrophobicContact CZ-CB 4.08Å; F63-K124 HydrophobicContact CE2-CB 3.69Å; F63-K124 HydrophobicContact CE2-CD 4.07Å; F63-K124 HydrophobicContact CE2-CG 4.03Å; F63-K124 HydrophobicContact CZ-CB 4Å; F63-K124 HydrophobicContact CZ-CD 4Å; F63-K124 HydrophobicContact CZ-CG 3.87Å; F63-A125 CarbonylContact C-O 3.52Å; F63-A125 WeakPolarHBondContact CA-O 3.14Å; F63-Y126 AromaticContact CD2-CD1 3.86Å; F63-Y126 HydrophobicContact CD2-CD1 3.86Å; F63-Y126 AromaticContact CD2-CE1 3.59Å; F63-Y126 HydrophobicContact CD2-CE1 3.59Å; F63-Y126 HydrophobicContact CD2-CE2 4.36Å; F63-Y126 HydrophobicContact CD2-CG 4.37Å; F63-Y126 AromaticContact CD2-CZ 3.87Å; F63-Y126 HydrophobicContact CE2-CD1 4.36Å; F63-Y126 AromaticContact CE2-CE1 3.71Å; F63-Y126 HydrophobicContact CE2-CE1 3.71Å; F63-Y126 HydrophobicContact CE2-CE2 4.01Å; F63-Y126 AromaticContact CE2-CZ 3.5Å; F63-I418 CarbonylContact O-C 3.46Å; F63-I418 WeakPolarHBondContact O-CA 3.38Å; F63-I418 WeakPolarHBondContact O-CG2 3.13Å; F63-V419 HydrophobicContact CD1-CB 4.23Å; F63-V419 HydrophobicContact CD1-CG2 4.3Å; F63-V419 PolarHBondContact N-O 2.92Å; F63-V419 PolarHBondContact O-N 3.23Å
64K87.9Confident88.6Confident14 Ų1449.5 Ų49.56%0.06127%0.27CS..EExtended strand (participates in β ladder)trans-134.1132.9173.9-174.6178.5-171.9172.80110.1Q71 I72 E76 K124 A125 I418K64-Q71 WeakPolarHBondContact CE-O 3.4Å; K64-Q71 PolarHBondContact NZ-O 2.78Å; K64-I72 HydrophobicContact CB-CD1 3.9Å; K64-I72 HydrophobicContact CD-CB 3.97Å; K64-I72 HydrophobicContact CD-CD1 3.9Å; K64-I72 HydrophobicContact CD-CG1 4.02Å; K64-E76 VanDerWaalsContact NZ-CD 3.3Å; K64-E76 IonicContact NZ-OE1 2.74Å; K64-E76 PolarHBondContact NZ-OE1 3.04Å; K64-E76 IonicContact NZ-OE2 2.7Å; K64-E76 PolarHBondContact NZ-OE2 3.35Å; K64-E76 VanDerWaalsContact NZ-OE2 3.13Å; K64-K124 CarbonylContact O-C 3.54Å; K64-K124 VanDerWaalsContact O-CA 3.27Å; K64-K124 WeakPolarHBondContact O-CA 3.38Å; K64-A125 HydrophobicContact CB-CB 4.3Å; K64-A125 PolarHBondContact N-O 2.74Å; K64-A125 PolarHBondContact O-N 3.39Å; K64-I418 HydrophobicContact CB-CG1 3.91Å; K64-I418 HydrophobicContact CD-CD1 4.03Å; K64-I418 HydrophobicContact CD-CG1 3.54Å; K64-I418 HydrophobicContact CG-CG1 3.52Å
65M86.8Confident89.4Confident61 Ų6146.7 Ų46.730%0.326%0.263SS..EExtended strand (participates in β ladder)trans-117.8142.7174.6-175.1173.35600110.3F63 T123 K124 N417F63-M65 HydrophobicContact CE1-CB 3.87Å; F63-M65 HydrophobicContact CZ-CB 4.08Å; M65-T123 CarbonylContact C-O 3.58Å; M65-T123 WeakPolarHBondContact CA-O 3.17Å; M65-K124 HydrophobicContact CG-CG 4.28Å; M65-N417 PolarHBondContact N-O 3.4Å; M65-N417 PolarHBondContact O-N 2.96Å
66S82.4Confident90.1Very high8 Ų843.2 Ų43.26%0.05624%0.243CC..EExtended strand (participates in β ladder)trans-141.4153.4176.4-168.90000111.7S68 T123 G415S66-S68 WeakPolarHBondContact CB-O 3.3Å; S66-S68 PolarHBondContact O-N 2.87Å; S66-S68 PolarHBondContact OG-OG 3.43Å; S66-T123 PolarHBondContact N-O 3.27Å; S66-T123 VanDerWaalsContact O-CB 3.29Å; S66-T123 WeakPolarHBondContact O-CB 3.43Å; S66-G415 WeakPolarHBondContact CA-O 3.23Å; S66-G415 WeakPolarHBondContact CB-O 3.38Å; S66-G415 PolarHBondContact OG-O 2.64Å
67A82.3Confident90.4Very high93 Ų9337.5 Ų37.577%0.76921%0.212SC*.SBendtrans-74.8-17.2175.800000113
68S84.6Confident90.6Very high61 Ų6136.2 Ų36.243%0.42721%0.207SC..SBendtrans-113.7171.117456.50000109.6S66 C70S66-S68 WeakPolarHBondContact CB-O 3.3Å; S66-S68 PolarHBondContact O-N 2.87Å; S66-S68 PolarHBondContact OG-OG 3.43Å; S68-C70 PolarHBondContact O-N 2.94Å
69P88.3Confident90.5Very high86 Ų8637 Ų3756%0.55821%0.209SC*.SBendtrans-46.6121171.2-30.237000111.2Q122P69-Q122 WeakPolarHBondContact CA-O 3.24Å; P69-Q122 HydrophobicContact CB-CB 4.35Å
70C87.7Confident90.2Very high9 Ų936.3 Ų36.36%0.06121%0.207CC..  trans-70.5135.9-169.8-171.10000109.7S68 F118 Q122 A125S68-C70 PolarHBondContact O-N 2.94Å; C70-F118 HydrophobicContact CB-CD1 4.16Å; C70-F118 HydrophobicContact CB-CE1 4.03Å; C70-F118 WeakPolarHBondContact O-CE1 3.46Å; C70-Q122 WeakPolarHBondContact CB-O 3.41Å; C70-Q122 PolarHBondContact N-O 3.38Å; C70-A125 HydrophobicContact CB-CB 4.48Å
71Q88.9Confident90.2Very high164 Ų16436.2 Ų36.277%0.76621%0.206SC*.  trans-118.9130.3171.4-63.7-176.2300108.4K64K64-Q71 WeakPolarHBondContact CE-O 3.4Å; K64-Q71 PolarHBondContact NZ-O 2.78Å
72I91.4Very high90.2Very high16 Ų1636.2 Ų36.28%0.08221%0.206CC..  trans-145.9138.3176.4-165.1170.5000109.2K64 V77 L116 F118 A125 V127K64-I72 HydrophobicContact CB-CD1 3.9Å; K64-I72 HydrophobicContact CD-CB 3.97Å; K64-I72 HydrophobicContact CD-CD1 3.9Å; K64-I72 HydrophobicContact CD-CG1 4.02Å; I72-V77 HydrophobicContact CD1-CG2 3.4Å; I72-V77 HydrophobicContact CG1-CG2 3.72Å; I72-L116 HydrophobicContact CG2-CD1 3.61Å; I72-L116 HydrophobicContact CG2-CD2 4.11Å; I72-F118 HydrophobicContact CG2-CZ 4.46Å; I72-A125 HydrophobicContact CG2-CB 3.85Å; I72-V127 HydrophobicContact CD1-CG2 4.21Å; I72-V127 HydrophobicContact CG2-CG2 4.47Å
73T94.3Very high90.1Very high51 Ų5137.1 Ų37.131%0.31321%0.212SC..  trans-107.6156.7178.964.50000110.7F6 E75 E76 V77F6-T73 VanDerWaalsContact CE2-C 3.5Å; T73-E75 PolarHBondContact O-N 2.94Å; T73-E76 PolarHBondContact O-N 2.9Å; T73-E76 VanDerWaalsContact OG1-CB 3.28Å; T73-E76 WeakPolarHBondContact OG1-CB 3.25Å; T73-E76 PolarHBondContact OG1-N 3.17Å; T73-E76 VanDerWaalsContact OG1-N 3.11Å; T73-V77 PolarHBondContact O-N 3.4Å
74G95Very high90.1Very high0 Ų036.4 Ų36.40%021%0.209CC..Hα-helixtrans-62.3-32.6175.300000112.2F6 S78F6-G74 VanDerWaalsContact CE2-N 3.32Å; G74-S78 WeakPolarHBondContact O-CB 3.34Å; G74-S78 PolarHBondContact O-N 3.33Å; G74-S78 PolarHBondContact O-OG 3.32Å
75E94.9Very high90.2Very high90 Ų9036.1 Ų36.142%0.42121%0.208SC..Hα-helixtrans-63.3-49.5174.3-177.3-176.4168.600111.5E13 T73 V77 S78 Q79E13-E75 HydrophobicContact CB-CB 4.32Å; E13-E75 HydrophobicContact CB-CG 4.15Å; E13-E75 HydrophobicContact CG-CB 4.46Å; E13-E75 HydrophobicContact CG-CG 3.9Å; T73-E75 PolarHBondContact O-N 2.94Å; E75-V77 VanDerWaalsContact C-N 3.31Å; E75-V77 PolarHBondContact O-N 2.67Å; E75-S78 PolarHBondContact O-N 3.04Å; E75-S78 VanDerWaalsContact O-N 3.17Å; E75-Q79 WeakPolarHBondContact O-CG 3.45Å; E75-Q79 PolarHBondContact O-N 2.87Å; E75-Q79 PolarHBondContact OE1-NE2 3.34Å
76E91.9Very high90.1Very high50 Ų5035.3 Ų35.323%0.23421%0.205CC..Hα-helixtrans-59.8-40.9179.6-176179-174.600111.9K64 T73 T80 I418K64-E76 VanDerWaalsContact NZ-CD 3.3Å; K64-E76 IonicContact NZ-OE1 2.74Å; K64-E76 PolarHBondContact NZ-OE1 3.04Å; K64-E76 IonicContact NZ-OE2 2.7Å; K64-E76 PolarHBondContact NZ-OE2 3.35Å; K64-E76 VanDerWaalsContact NZ-OE2 3.13Å; T73-E76 PolarHBondContact O-N 2.9Å; T73-E76 VanDerWaalsContact OG1-CB 3.28Å; T73-E76 WeakPolarHBondContact OG1-CB 3.25Å; T73-E76 PolarHBondContact OG1-N 3.17Å; T73-E76 VanDerWaalsContact OG1-N 3.11Å; E76-T80 VanDerWaalsContact O-CB 3.26Å; E76-T80 WeakPolarHBondContact O-CB 3.41Å; E76-T80 PolarHBondContact O-N 3.36Å; E76-T80 PolarHBondContact O-OG1 3.4Å; E76-I418 HydrophobicContact CG-CD1 3.63Å; E76-I418 WeakPolarHBondContact OE1-CD1 3.35Å
77V93.8Very high90Very high3 Ų337.8 Ų37.82%0.01821%0.214CC..Hα-helixtrans-65.1-45.9175.9174.20000111.1F6 A62 I72 T73 E75 Q79 T80 W81 V127F6-V77 HydrophobicContact CE2-CG2 4.33Å; F6-V77 HydrophobicContact CZ-CG2 4.09Å; A62-V77 HydrophobicContact CB-CG1 4.1Å; I72-V77 HydrophobicContact CD1-CG2 3.4Å; I72-V77 HydrophobicContact CG1-CG2 3.72Å; T73-V77 PolarHBondContact O-N 3.4Å; E75-V77 VanDerWaalsContact C-N 3.31Å; E75-V77 PolarHBondContact O-N 2.67Å; V77-Q79 PolarHBondContact O-N 3.33Å; V77-T80 WeakPolarHBondContact O-CB 3.13Å; V77-T80 PolarHBondContact O-N 3.07Å; V77-T80 VanDerWaalsContact O-N 3.15Å; V77-W81 HydrophobicContact CG1-CD2 3.74Å; V77-W81 HydrophobicContact CG1-CE3 3.77Å; V77-W81 HydrophobicContact CG1-CH2 3.47Å; V77-W81 VanDerWaalsContact CG1-CH2 3.47Å; V77-W81 HydrophobicContact CG1-CZ2 3.45Å; V77-W81 VanDerWaalsContact CG1-CZ2 3.45Å; V77-W81 HydrophobicContact CG1-CZ3 3.64Å; V77-W81 PolarHBondContact O-N 2.86Å; V77-V127 HydrophobicContact CG1-CG1 3.88Å; V77-V127 HydrophobicContact CG2-CB 4.42Å; V77-V127 HydrophobicContact CG2-CG1 4.11Å; V77-V127 HydrophobicContact CG2-CG2 4.04Å
78S95.2Very high90Very high0 Ų034.1 Ų34.10%018%0.181CC..Hα-helixtrans-61.1-46.3-179.6-55.20000111.1A10 H14 G74 E75 T80 W81 Y82 M104A10-S78 PolarHBondContact O-OG 2.95Å; H14-S78 PolarHBondContact CE1-OG 2.89Å; H14-S78 PolarHBondContact ND1-OG 3.48Å; G74-S78 WeakPolarHBondContact O-CB 3.34Å; G74-S78 PolarHBondContact O-N 3.33Å; G74-S78 PolarHBondContact O-OG 3.32Å; E75-S78 PolarHBondContact O-N 3.04Å; E75-S78 VanDerWaalsContact O-N 3.17Å; S78-T80 VanDerWaalsContact C-N 3.28Å; S78-T80 PolarHBondContact O-N 3.12Å; S78-W81 PolarHBondContact O-N 2.99Å; S78-Y82 VanDerWaalsContact O-CB 3.3Å; S78-Y82 WeakPolarHBondContact O-CB 3.31Å; S78-Y82 PolarHBondContact O-N 3.27Å; S78-M104 WeakPolarHBondContact O-CE 3.43Å
79Q92.8Very high90Very high22 Ų2232.5 Ų32.510%0.10317%0.167CC..Hα-helixtrans-62.7-37175.4-71.5174.41.500112.2E13 E75 V77 Y82 S83 L206E13-Q79 HydrophobicContact CG-CG 4.07Å; E13-Q79 WeakPolarHBondContact OE1-CG 3.19Å; E13-Q79 PolarHBondContact OE1-NE2 2.94Å; E75-Q79 WeakPolarHBondContact O-CG 3.45Å; E75-Q79 PolarHBondContact O-N 2.87Å; E75-Q79 PolarHBondContact OE1-NE2 3.34Å; V77-Q79 PolarHBondContact O-N 3.33Å; Q79-Y82 PolarHBondContact O-N 3.2Å; Q79-S83 WeakPolarHBondContact O-CB 3.4Å; Q79-S83 PolarHBondContact O-N 2.97Å; Q79-L206 HydrophobicContact CB-CD2 3.97Å; Q79-L206 HydrophobicContact CG-CD2 4.13Å
80T88.7Confident89.8Confident9 Ų931.1 Ų31.16%0.05515%0.152CC..Hα-helixtrans-64.2-51.4177.8-65.60000111.1E76 V77 S78 Y82 S83 I418 I420E76-T80 VanDerWaalsContact O-CB 3.26Å; E76-T80 WeakPolarHBondContact O-CB 3.41Å; E76-T80 PolarHBondContact O-N 3.36Å; E76-T80 PolarHBondContact O-OG1 3.4Å; V77-T80 WeakPolarHBondContact O-CB 3.13Å; V77-T80 PolarHBondContact O-N 3.07Å; V77-T80 VanDerWaalsContact O-N 3.15Å; S78-T80 VanDerWaalsContact C-N 3.28Å; S78-T80 PolarHBondContact O-N 3.12Å; T80-Y82 VanDerWaalsContact C-N 3.32Å; T80-Y82 PolarHBondContact O-N 2.73Å; T80-S83 WeakPolarHBondContact O-CB 3.4Å; T80-S83 PolarHBondContact O-N 3.3Å; T80-S83 PolarHBondContact O-OG 3.41Å; T80-I418 HydrophobicContact CG2-CG2 3.83Å; T80-I420 HydrophobicContact CG2-CD1 3.36Å; T80-I420 HydrophobicContact CG2-CG1 3.42Å; T80-I420 VanDerWaalsContact CG2-CG1 3.42Å; T80-I420 WeakPolarHBondContact O-CD1 3.24Å
81W94Very high89.5Confident0 Ų036.6 Ų36.60%019%0.186CC..Hα-helixtrans-60.8-40.5174.9-71.6-29.2000112.5H14 N60 L61 A62 V77 S78 S83 E84 H100 F101 M104 F114 V127 Y131H14-W81 AromaticContact CE1-CE3 3.92Å; H14-W81 AromaticContact CE1-CZ3 3.87Å; H14-W81 AromaticContact NE2-CE3 3.87Å; H14-W81 AromaticContact NE2-CZ3 3.94Å; N60-W81 HydrophobicContact CB-CD2 3.9Å; N60-W81 HydrophobicContact CB-CE3 4.1Å; N60-W81 HydrophobicContact CB-CH2 3.87Å; N60-W81 HydrophobicContact CB-CZ2 3.63Å; N60-W81 HydrophobicContact CB-CZ3 4.09Å; L61-W81 PolarHBondContact O-NE1 3.48Å; A62-W81 HydrophobicContact CB-CZ2 4.04Å; V77-W81 HydrophobicContact CG1-CD2 3.74Å; V77-W81 HydrophobicContact CG1-CE3 3.77Å; V77-W81 HydrophobicContact CG1-CH2 3.47Å; V77-W81 VanDerWaalsContact CG1-CH2 3.47Å; V77-W81 HydrophobicContact CG1-CZ2 3.45Å; V77-W81 VanDerWaalsContact CG1-CZ2 3.45Å; V77-W81 HydrophobicContact CG1-CZ3 3.64Å; V77-W81 PolarHBondContact O-N 2.86Å; S78-W81 PolarHBondContact O-N 2.99Å; W81-S83 VanDerWaalsContact C-N 3.3Å; W81-S83 PolarHBondContact O-N 3.2Å; W81-E84 WeakPolarHBondContact O-CG 3.43Å; W81-E84 PolarHBondContact O-N 3.25Å; W81-H100 HydrophobicContact CB-CB 3.77Å; W81-H100 AromaticContact CD1-CD2 3.61Å; W81-H100 AromaticContact CD1-CG 3.67Å; W81-H100 HydrophobicContact CG-CB 3.81Å; W81-H100 AromaticContact NE1-CD2 3.65Å; W81-F101 PolarHBondContact O-N 3.15Å; W81-M104 HydrophobicContact CB-CG 4.27Å; W81-M104 HydrophobicContact CB-SD 3.31Å; W81-M104 WeakPolarHBondContact CB-SD 3.31Å; W81-M104 HydrophobicContact CE3-SD 4.42Å; W81-M104 HydrophobicContact CG-SD 4.43Å; W81-F114 HydrophobicContact CH2-CD1 4.43Å; W81-F114 HydrophobicContact CZ3-CD1 4.16Å; W81-F114 HydrophobicContact CZ3-CE1 4.03Å; W81-V127 HydrophobicContact CH2-CG1 4.17Å; W81-V127 HydrophobicContact CZ2-CG1 4.3Å; W81-Y131 WeakPolarHBondContact CZ3-OH 3.41Å
82Y93.8Very high88.6Confident0 Ų033.3 Ų33.30%017%0.17CC..Hα-helixtrans-68.5-29.1179.1-175.3-91.3000113.1L17 H21 S78 Q79 T80 E84 I85 F101 M104 I105 L204 L206L17-Y82 HydrophobicContact CB-CD2 3.83Å; L17-Y82 HydrophobicContact CB-CE2 3.97Å; L17-Y82 HydrophobicContact CB-CG 4.38Å; L17-Y82 HydrophobicContact CD1-CD1 4.49Å; L17-Y82 HydrophobicContact CD1-CD2 4.07Å; L17-Y82 HydrophobicContact CD1-CG 3.85Å; L17-Y82 HydrophobicContact CD2-CD1 3.73Å; L17-Y82 HydrophobicContact CD2-CD2 4Å; L17-Y82 HydrophobicContact CD2-CE1 3.81Å; L17-Y82 HydrophobicContact CD2-CE2 4.11Å; L17-Y82 HydrophobicContact CD2-CG 3.81Å; L17-Y82 HydrophobicContact CG-CD2 4.19Å; L17-Y82 HydrophobicContact CG-CG 4.23Å; H21-Y82 AromaticContact CD2-CE2 3.88Å; H21-Y82 AromaticContact NE2-CE2 3.43Å; H21-Y82 WeakPolarHBondContact NE2-CE2 3.28Å; H21-Y82 AromaticContact NE2-CZ 3.46Å; H21-Y82 PolarHBondContact NE2-OH 2.93Å; S78-Y82 VanDerWaalsContact O-CB 3.3Å; S78-Y82 WeakPolarHBondContact O-CB 3.31Å; S78-Y82 PolarHBondContact O-N 3.27Å; Q79-Y82 PolarHBondContact O-N 3.2Å; T80-Y82 VanDerWaalsContact C-N 3.32Å; T80-Y82 PolarHBondContact O-N 2.73Å; Y82-E84 PolarHBondContact O-N 2.94Å; Y82-I85 HydrophobicContact CD1-CG2 4.29Å; Y82-I85 HydrophobicContact CE1-CD1 4.32Å; Y82-I85 HydrophobicContact CE1-CG2 4.09Å; Y82-I85 WeakPolarHBondContact O-CB 3.43Å; Y82-I85 VanDerWaalsContact O-CG2 3.27Å; Y82-I85 WeakPolarHBondContact O-CG2 3.26Å; Y82-I85 PolarHBondContact O-N 3.44Å; Y82-F101 AromaticContact CD2-CD2 3.7Å; Y82-F101 HydrophobicContact CD2-CD2 3.7Å; Y82-F101 AromaticContact CD2-CE2 3.87Å; Y82-F101 HydrophobicContact CD2-CE2 3.87Å; Y82-F101 AromaticContact CE2-CD2 3.93Å; Y82-F101 HydrophobicContact CE2-CD2 3.93Å; Y82-F101 AromaticContact CE2-CE2 3.57Å; Y82-F101 HydrophobicContact CE2-CE2 3.57Å; Y82-F101 HydrophobicContact CG-CD2 4.25Å; Y82-M104 PolarHBondContact N-SD 2.78Å; Y82-M104 VanDerWaalsContact N-SD 3.4Å; Y82-I105 HydrophobicContact CD2-CG2 4.29Å; Y82-I105 HydrophobicContact CE2-CG2 4.06Å; Y82-L204 HydrophobicContact CE1-CB 4.35Å; Y82-L204 HydrophobicContact CE1-CD1 3.93Å; Y82-L204 HydrophobicContact CE1-CD2 4.04Å; Y82-L204 HydrophobicContact CE1-CG 4.32Å; Y82-L204 WeakPolarHBondContact OH-CD2 3.37Å; Y82-L206 HydrophobicContact CD1-CD1 4.06Å; Y82-L206 HydrophobicContact CD1-CD2 3.93Å; Y82-L206 HydrophobicContact CD1-CG 4.37Å; Y82-L206 HydrophobicContact CE1-CD1 4.33Å
83S89.7Confident87.6Confident19 Ų1936.4 Ų36.413%0.13319%0.194CC..G310 helixtrans-59.5-16.5179.576.60000113.9Q79 T80 W81 I85 D86Q79-S83 WeakPolarHBondContact O-CB 3.4Å; Q79-S83 PolarHBondContact O-N 2.97Å; T80-S83 WeakPolarHBondContact O-CB 3.4Å; T80-S83 PolarHBondContact O-N 3.3Å; T80-S83 PolarHBondContact O-OG 3.41Å; W81-S83 VanDerWaalsContact C-N 3.3Å; W81-S83 PolarHBondContact O-N 3.2Å; S83-I85 PolarHBondContact O-N 3.07Å; S83-I85 VanDerWaalsContact O-N 3.15Å; S83-D86 PolarHBondContact O-N 2.84Å
84E89Confident86.6Confident8 Ų838.7 Ų38.74%0.03720%0.197CC..G310 helixtrans-63.9-11.9171.4-60.8-174.6160.600114.1W81 Y82 D86 Y87 H88 N97 S98 R99 H100 F101 I420W81-E84 WeakPolarHBondContact O-CG 3.43Å; W81-E84 PolarHBondContact O-N 3.25Å; Y82-E84 PolarHBondContact O-N 2.94Å; E84-D86 PolarHBondContact O-N 3.2Å; E84-D86 VanDerWaalsContact O-N 3.14Å; E84-Y87 PolarHBondContact O-N 2.91Å; E84-H88 PolarHBondContact O-N 3.15Å; E84-N97 WeakPolarHBondContact CB-O 3.21Å; E84-S98 WeakPolarHBondContact OE2-CA 3.37Å; E84-R99 PolarHBondContact OE2-N 2.65Å; E84-H100 IonicContact OE1-CE1 3.66Å; E84-H100 IonicContact OE1-CG 3.46Å; E84-H100 IonicContact OE1-ND1 3.69Å; E84-H100 PolarHBondContact OE1-ND1 2.85Å; E84-H100 WeakPolarHBondContact OE2-CA 3.41Å; E84-H100 VanDerWaalsContact OE2-CB 3.26Å; E84-H100 WeakPolarHBondContact OE2-CB 3.29Å; E84-H100 IonicContact OE2-CG 3.2Å; E84-H100 PolarHBondContact OE2-N 3.43Å; E84-H100 IonicContact OE2-ND1 3.39Å; E84-H100 PolarHBondContact OE2-ND1 3.46Å; E84-F101 HydrophobicContact CB-CB 3.81Å; E84-F101 PolarHBondContact OE2-N 3.08Å; E84-I420 HydrophobicContact CG-CD1 4.34Å
85I89.3Confident85.7Confident8 Ų840.2 Ų40.24%0.04120%0.204CC..G310 helixtrans-51.5-31.9168.7-167.2171.9000112.1Y82 S83 Y87 H88 F90 F101 F200 L204Y82-I85 HydrophobicContact CD1-CG2 4.29Å; Y82-I85 HydrophobicContact CE1-CD1 4.32Å; Y82-I85 HydrophobicContact CE1-CG2 4.09Å; Y82-I85 WeakPolarHBondContact O-CB 3.43Å; Y82-I85 VanDerWaalsContact O-CG2 3.27Å; Y82-I85 WeakPolarHBondContact O-CG2 3.26Å; Y82-I85 PolarHBondContact O-N 3.44Å; S83-I85 PolarHBondContact O-N 3.07Å; S83-I85 VanDerWaalsContact O-N 3.15Å; I85-Y87 PolarHBondContact O-N 2.7Å; I85-Y87 VanDerWaalsContact O-N 3.14Å; I85-H88 PolarHBondContact O-N 3.27Å; I85-H88 VanDerWaalsContact O-N 3.15Å; I85-F90 HydrophobicContact CD1-CZ 4.28Å; I85-F90 HydrophobicContact CG1-CE2 4.33Å; I85-F90 HydrophobicContact CG1-CZ 4.15Å; I85-F101 HydrophobicContact CB-CD1 4.49Å; I85-F101 HydrophobicContact CB-CD2 3.84Å; I85-F101 HydrophobicContact CB-CE1 4.39Å; I85-F101 HydrophobicContact CB-CE2 3.73Å; I85-F101 HydrophobicContact CB-CG 4.23Å; I85-F101 HydrophobicContact CB-CZ 4Å; I85-F101 HydrophobicContact CD1-CE2 3.75Å; I85-F101 HydrophobicContact CD1-CZ 3.78Å; I85-F101 HydrophobicContact CG1-CD2 4.4Å; I85-F101 HydrophobicContact CG1-CE1 4.19Å; I85-F101 HydrophobicContact CG1-CE2 3.79Å; I85-F101 HydrophobicContact CG1-CZ 3.66Å; I85-F200 HydrophobicContact CD1-CE1 4.39Å; I85-F200 HydrophobicContact CD1-CZ 4.17Å; I85-L204 HydrophobicContact CG2-CD1 4.14Å
86D83.7Confident84.7Confident44 Ų4438.1 Ų38.124%0.23520%0.199CC..G310 helixtrans-62.1-20.5177.5-72.6-18.1000112.9S83 E84 R201S83-D86 PolarHBondContact O-N 2.84Å; E84-D86 PolarHBondContact O-N 3.2Å; E84-D86 VanDerWaalsContact O-N 3.14Å; D86-R201 IonicContact OD2-CZ 2.65Å; D86-R201 IonicContact OD2-NH1 2.78Å; D86-R201 PolarHBondContact OD2-NH1 3.38Å
87Y80.2Confident84Confident61 Ų6137.2 Ų37.224%0.23920%0.195CC..G310 helixtrans-107.2-11.4178.4-51.9-65.7000113.3E84 I85 D89 R189 Y213E84-Y87 PolarHBondContact O-N 2.91Å; I85-Y87 PolarHBondContact O-N 2.7Å; I85-Y87 VanDerWaalsContact O-N 3.14Å; Y87-D89 PolarHBondContact O-N 3.3Å; Y87-R189 PolarHBondContact O-NH2 3.28Å; Y87-R189 VanDerWaalsContact O-NH2 3.14Å; Y87-Y213 WeakPolarHBondContact OH-CB 3.39Å
88H82.5Confident83.7Confident16 Ų1637.1 Ų37.17%0.07420%0.195CC..  trans-74128.3-175.5-168.870.3000111E84 I85 F90 S98 F101 T102E84-H88 PolarHBondContact O-N 3.15Å; I85-H88 PolarHBondContact O-N 3.27Å; I85-H88 VanDerWaalsContact O-N 3.15Å; H88-F90 AromaticContact CD2-CD1 3.69Å; H88-F90 AromaticContact CD2-CD2 3.91Å; H88-F90 AromaticContact CD2-CE1 3.73Å; H88-F90 AromaticContact CD2-CE2 3.94Å; H88-F90 AromaticContact CD2-CG 3.78Å; H88-F90 AromaticContact CD2-CZ 3.85Å; H88-F90 AromaticContact NE2-CD1 3.99Å; H88-S98 WeakPolarHBondContact ND1-CB 3.46Å; H88-S98 PolarHBondContact ND1-OG 3.19Å; H88-F101 HydrophobicContact CB-CD1 4.01Å; H88-F101 HydrophobicContact CB-CE1 3.98Å; H88-F101 AromaticContact CD2-CE1 3.83Å; H88-F101 AromaticContact CG-CD1 3.97Å; H88-F101 AromaticContact CG-CE1 3.77Å; H88-T102 WeakPolarHBondContact CE1-CG2 3.39Å
89D84.4Confident83.4Confident26 Ų2639.5 Ų39.514%0.13920%0.204CC..  trans-98.8105.2170.6-170-17.3000109.2Y87 T91 Q92 R189Y87-D89 PolarHBondContact O-N 3.3Å; D89-T91 PolarHBondContact O-N 3.38Å; D89-T91 VanDerWaalsContact O-N 3.13Å; D89-T91 WeakPolarHBondContact OD1-CB 3.49Å; D89-T91 PolarHBondContact OD1-N 2.98Å; D89-T91 PolarHBondContact OD1-OG1 2.88Å; D89-T91 PolarHBondContact OD2-OG1 3.42Å; D89-Q92 HydrophobicContact CB-CB 4.18Å; D89-Q92 HydrophobicContact CB-CG 4.09Å; D89-Q92 PolarHBondContact O-N 3.48Å; D89-Q92 VanDerWaalsContact O-O 3.05Å; D89-R189 IonicContact OD2-CZ 3.49Å; D89-R189 IonicContact OD2-NE 3.76Å
90F85.1Confident83.4Confident57 Ų5739 Ų3925%0.2520%0.201CC..THydrogen-bonded Turntrans-67.2-9.6179.3-66.9-89.7000113.7I85 H88 F101 V144 H146I85-F90 HydrophobicContact CD1-CZ 4.28Å; I85-F90 HydrophobicContact CG1-CE2 4.33Å; I85-F90 HydrophobicContact CG1-CZ 4.15Å; H88-F90 AromaticContact CD2-CD1 3.69Å; H88-F90 AromaticContact CD2-CD2 3.91Å; H88-F90 AromaticContact CD2-CE1 3.73Å; H88-F90 AromaticContact CD2-CE2 3.94Å; H88-F90 AromaticContact CD2-CG 3.78Å; H88-F90 AromaticContact CD2-CZ 3.85Å; H88-F90 AromaticContact NE2-CD1 3.99Å; F90-F101 HydrophobicContact CE1-CE1 4.4Å; F90-F101 HydrophobicContact CE1-CZ 4.35Å; F90-F101 HydrophobicContact CZ-CE1 4.18Å; F90-F101 HydrophobicContact CZ-CZ 4Å; F90-V144 HydrophobicContact CE1-CG1 4.31Å; F90-H146 WeakPolarHBondContact CB-CE1 3.42Å; F90-H146 AromaticContact CD1-ND1 3.97Å; F90-H146 AromaticContact CG-CE1 3.77Å; F90-H146 AromaticContact CG-ND1 3.7Å
91T80.1Confident83.7Confident124 Ų12438.5 Ų38.576%0.76120%0.198SC*.THydrogen-bonded Turntrans-83.1-20.2171.672.60000112.4D89D89-T91 PolarHBondContact O-N 3.38Å; D89-T91 VanDerWaalsContact O-N 3.13Å; D89-T91 WeakPolarHBondContact OD1-CB 3.49Å; D89-T91 PolarHBondContact OD1-N 2.98Å; D89-T91 PolarHBondContact OD1-OG1 2.88Å; D89-T91 PolarHBondContact OD2-OG1 3.42Å
92Q70.1Confident83.7Confident95 Ų9538.6 Ų38.644%0.44420%0.199SC..SBendtrans-98.6146.7177.1-62.4-175.9-3.700109.7D89D89-Q92 HydrophobicContact CB-CB 4.18Å; D89-Q92 HydrophobicContact CB-CG 4.09Å; D89-Q92 PolarHBondContact O-N 3.48Å; D89-Q92 VanDerWaalsContact O-O 3.05Å
93S70.7Confident83.8Confident82 Ų8238.7 Ų38.757%0.57320%0.199SC*.SBendtrans-69.7-44.7176.5-60.50000111F140S93-F140 WeakPolarHBondContact O-CB 3.19Å; S93-F140 WeakPolarHBondContact O-CD1 3.5Å; S93-F140 VanDerWaalsContact O-CD2 3.32Å; S93-F140 WeakPolarHBondContact O-CD2 3.44Å; S93-F140 WeakPolarHBondContact O-CE1 3.46Å; S93-F140 WeakPolarHBondContact O-CG 3.32Å
94Y74.3Confident84.1Confident99 Ų9937.8 Ų37.839%0.38819%0.193SC..  trans-135.4135.5-172.1175.1-98.3000111.5P96 R99 F140Y94-P96 HydrophobicContact CE1-CB 4.49Å; Y94-R99 HydrophobicContact CE2-CG 3.76Å; Y94-R99 VanDerWaalsContact OH-CD 3.23Å; Y94-R99 WeakPolarHBondContact OH-CD 3.37Å; Y94-F140 HydrophobicContact CD2-CE1 4.1Å; Y94-F140 HydrophobicContact CD2-CE2 4.34Å; Y94-F140 AromaticContact CD2-CZ 3.58Å; Y94-F140 HydrophobicContact CD2-CZ 3.58Å; Y94-F140 HydrophobicContact CG-CZ 4.31Å
95H74.8Confident84.5Confident32 Ų3237.4 Ų37.415%0.14819%0.191CC..  trans-135.3123173.4-171.8-83.1000110.1N97 S98H95-N97 PolarHBondContact ND1-N 2.99Å; H95-N97 PolarHBondContact O-N 2.93Å; H95-S98 WeakPolarHBondContact CB-OG 3.47Å; H95-S98 PolarHBondContact O-N 3.45Å; H95-S98 PolarHBondContact O-OG 3.39Å
96P74.2Confident84.8Confident46 Ų4637.4 Ų37.430%0.29919%0.191SC..G310 helixtrans-60.8-32.7-169.722.4-33.2000113Y94 S98 R99Y94-P96 HydrophobicContact CE1-CB 4.49Å; P96-S98 PolarHBondContact O-N 2.89Å; P96-R99 WeakPolarHBondContact O-CD 3.49Å; P96-R99 WeakPolarHBondContact O-CG 3.38Å
97N78.3Confident85.4Confident31 Ų3138.2 Ų38.217%0.16619%0.192CC..G310 helixtrans-81.79.7178.8-56.1-35.6000114.1E84 H95E84-N97 WeakPolarHBondContact CB-O 3.21Å; H95-N97 PolarHBondContact ND1-N 2.99Å; H95-N97 PolarHBondContact O-N 2.93Å
98S86.9Confident86.2Confident0 Ų037.7 Ų37.70%020%0.198CC..G310 helixtrans-129.911.7-179.267.60000114.4E84 H88 H95 P96 H100 F101 T102E84-S98 WeakPolarHBondContact OE2-CA 3.37Å; H88-S98 WeakPolarHBondContact ND1-CB 3.46Å; H88-S98 PolarHBondContact ND1-OG 3.19Å; H95-S98 WeakPolarHBondContact CB-OG 3.47Å; H95-S98 PolarHBondContact O-N 3.45Å; H95-S98 PolarHBondContact O-OG 3.39Å; P96-S98 PolarHBondContact O-N 2.89Å; S98-H100 VanDerWaalsContact C-N 3.28Å; S98-H100 PolarHBondContact O-N 2.84Å; S98-F101 PolarHBondContact O-N 3.23Å; S98-T102 WeakPolarHBondContact O-CG2 3.47Å; S98-T102 PolarHBondContact O-N 3.35Å; S98-T102 PolarHBondContact O-OG1 3.36Å
99R89.5Confident87Confident50 Ų5037 Ų3719%0.18919%0.194CC..Hα-helixtrans-62.8-34.6-174.4-70.5168.763.3169.1-15112.7E84 Y94 P96 T102 Q103 N136 D423E84-R99 PolarHBondContact OE2-N 2.65Å; Y94-R99 HydrophobicContact CE2-CG 3.76Å; Y94-R99 VanDerWaalsContact OH-CD 3.23Å; Y94-R99 WeakPolarHBondContact OH-CD 3.37Å; P96-R99 WeakPolarHBondContact O-CD 3.49Å; P96-R99 WeakPolarHBondContact O-CG 3.38Å; R99-T102 WeakPolarHBondContact CA-OG1 3.39Å; R99-T102 PolarHBondContact O-OG1 3.14Å; R99-Q103 WeakPolarHBondContact O-CB 3.48Å; R99-Q103 PolarHBondContact O-N 3.24Å; R99-Q103 VanDerWaalsContact O-N 3.12Å; R99-N136 PolarHBondContact O-ND2 3.48Å; R99-D423 IonicContact CZ-OD2 3.76Å; R99-D423 IonicContact NH1-OD2 3.41Å; R99-D423 PolarHBondContact NH1-OD2 3.26Å
100H92.1Very high87.6Confident11 Ų1139.2 Ų39.25%0.05121%0.209CC..Hα-helixtrans-70.1-47.5178.9-58.292.8000109.5N60 W81 E84 S98 Q103 M104 I420 E421N60-H100 WeakPolarHBondContact ND2-CA 3.33Å; N60-H100 PolarHBondContact ND2-O 2.81Å; W81-H100 HydrophobicContact CB-CB 3.77Å; W81-H100 AromaticContact CD1-CD2 3.61Å; W81-H100 AromaticContact CD1-CG 3.67Å; W81-H100 HydrophobicContact CG-CB 3.81Å; W81-H100 AromaticContact NE1-CD2 3.65Å; E84-H100 IonicContact OE1-CE1 3.66Å; E84-H100 IonicContact OE1-CG 3.46Å; E84-H100 IonicContact OE1-ND1 3.69Å; E84-H100 PolarHBondContact OE1-ND1 2.85Å; E84-H100 WeakPolarHBondContact OE2-CA 3.41Å; E84-H100 VanDerWaalsContact OE2-CB 3.26Å; E84-H100 WeakPolarHBondContact OE2-CB 3.29Å; E84-H100 IonicContact OE2-CG 3.2Å; E84-H100 PolarHBondContact OE2-N 3.43Å; E84-H100 IonicContact OE2-ND1 3.39Å; E84-H100 PolarHBondContact OE2-ND1 3.46Å; S98-H100 VanDerWaalsContact C-N 3.28Å; S98-H100 PolarHBondContact O-N 2.84Å; H100-Q103 PolarHBondContact O-N 3.15Å; H100-M104 VanDerWaalsContact O-CG 3.32Å; H100-M104 WeakPolarHBondContact O-CG 3.31Å; H100-M104 PolarHBondContact O-N 3.3Å; H100-I420 WeakPolarHBondContact CE1-CG2 3.41Å; H100-I420 VanDerWaalsContact ND1-CG2 3.26Å; H100-I420 WeakPolarHBondContact ND1-CG2 3.02Å; H100-E421 PolarHBondContact CE1-O 2.89Å
101F94.3Very high88.3Confident0 Ų041 Ų410%021%0.214CC..Hα-helixtrans-56.5-52.3175.2161.9-104.6000112.1H21 W81 Y82 E84 I85 H88 F90 S98 Q103 M104 I105 V144H21-F101 AromaticContact CE1-CE2 3.9Å; H21-F101 AromaticContact CE1-CZ 3.68Å; H21-F101 AromaticContact NE2-CE2 3.79Å; W81-F101 PolarHBondContact O-N 3.15Å; Y82-F101 AromaticContact CD2-CD2 3.7Å; Y82-F101 HydrophobicContact CD2-CD2 3.7Å; Y82-F101 AromaticContact CD2-CE2 3.87Å; Y82-F101 HydrophobicContact CD2-CE2 3.87Å; Y82-F101 AromaticContact CE2-CD2 3.93Å; Y82-F101 HydrophobicContact CE2-CD2 3.93Å; Y82-F101 AromaticContact CE2-CE2 3.57Å; Y82-F101 HydrophobicContact CE2-CE2 3.57Å; Y82-F101 HydrophobicContact CG-CD2 4.25Å; E84-F101 HydrophobicContact CB-CB 3.81Å; E84-F101 PolarHBondContact OE2-N 3.08Å; I85-F101 HydrophobicContact CB-CD1 4.49Å; I85-F101 HydrophobicContact CB-CD2 3.84Å; I85-F101 HydrophobicContact CB-CE1 4.39Å; I85-F101 HydrophobicContact CB-CE2 3.73Å; I85-F101 HydrophobicContact CB-CG 4.23Å; I85-F101 HydrophobicContact CB-CZ 4Å; I85-F101 HydrophobicContact CD1-CE2 3.75Å; I85-F101 HydrophobicContact CD1-CZ 3.78Å; I85-F101 HydrophobicContact CG1-CD2 4.4Å; I85-F101 HydrophobicContact CG1-CE1 4.19Å; I85-F101 HydrophobicContact CG1-CE2 3.79Å; I85-F101 HydrophobicContact CG1-CZ 3.66Å; H88-F101 HydrophobicContact CB-CD1 4.01Å; H88-F101 HydrophobicContact CB-CE1 3.98Å; H88-F101 AromaticContact CD2-CE1 3.83Å; H88-F101 AromaticContact CG-CD1 3.97Å; H88-F101 AromaticContact CG-CE1 3.77Å; F90-F101 HydrophobicContact CE1-CE1 4.4Å; F90-F101 HydrophobicContact CE1-CZ 4.35Å; F90-F101 HydrophobicContact CZ-CE1 4.18Å; F90-F101 HydrophobicContact CZ-CZ 4Å; S98-F101 PolarHBondContact O-N 3.23Å; F101-Q103 VanDerWaalsContact C-N 3.28Å; F101-Q103 PolarHBondContact O-N 2.98Å; F101-M104 WeakPolarHBondContact O-CB 3.33Å; F101-M104 PolarHBondContact O-N 2.86Å; F101-M104 VanDerWaalsContact O-N 3.1Å; F101-I105 HydrophobicContact CD2-CG1 4.47Å; F101-I105 HydrophobicContact CE1-CD1 3.8Å; F101-I105 HydrophobicContact CE1-CG1 4.32Å; F101-I105 HydrophobicContact CE2-CD1 3.65Å; F101-I105 HydrophobicContact CE2-CG1 4.01Å; F101-I105 HydrophobicContact CE2-CG2 4.12Å; F101-I105 HydrophobicContact CZ-CD1 3.22Å; F101-I105 HydrophobicContact CZ-CG1 3.95Å; F101-I105 WeakPolarHBondContact O-CG1 3.32Å; F101-I105 PolarHBondContact O-N 3.39Å; F101-I105 VanDerWaalsContact O-N 3.13Å; F101-V144 HydrophobicContact CE1-CG1 4.13Å
102T94.3Very high89.1Confident1 Ų135.1 Ų35.11%0.00618%0.178CC..Hα-helixtrans-62.7-36.7-177.452.90000111.8H88 S98 R99 W106 N136 F140 V144H88-T102 WeakPolarHBondContact CE1-CG2 3.39Å; S98-T102 WeakPolarHBondContact O-CG2 3.47Å; S98-T102 PolarHBondContact O-N 3.35Å; S98-T102 PolarHBondContact O-OG1 3.36Å; R99-T102 WeakPolarHBondContact CA-OG1 3.39Å; R99-T102 PolarHBondContact O-OG1 3.14Å; T102-W106 PolarHBondContact O-N 3.49Å; T102-N136 VanDerWaalsContact CB-OD1 3.29Å; T102-N136 WeakPolarHBondContact CB-OD1 3.5Å; T102-N136 PolarHBondContact OG1-OD1 3.08Å; T102-F140 HydrophobicContact CG2-CE1 4.44Å; T102-V144 HydrophobicContact CG2-CG1 3.95Å; T102-V144 HydrophobicContact CG2-CG2 3.99Å
103Q95.5Very high90.5Very high2 Ų230.6 Ų30.61%0.00916%0.157CC..Hα-helixtrans-65.3-41.8174.3179.257.785.400112.1N60 R99 H100 F101 I105 W106 T109 Y131 G135 N136N60-Q103 WeakPolarHBondContact OD1-CB 3.34Å; R99-Q103 WeakPolarHBondContact O-CB 3.48Å; R99-Q103 PolarHBondContact O-N 3.24Å; R99-Q103 VanDerWaalsContact O-N 3.12Å; H100-Q103 PolarHBondContact O-N 3.15Å; F101-Q103 VanDerWaalsContact C-N 3.28Å; F101-Q103 PolarHBondContact O-N 2.98Å; Q103-I105 VanDerWaalsContact C-N 3.34Å; Q103-I105 PolarHBondContact O-N 2.63Å; Q103-W106 WeakPolarHBondContact O-CB 3.4Å; Q103-W106 PolarHBondContact O-N 3.49Å; Q103-T109 PolarHBondContact NE2-OG1 2.97Å; Q103-Y131 HydrophobicContact CG-CD1 4.22Å; Q103-Y131 HydrophobicContact CG-CD2 3.26Å; Q103-Y131 HydrophobicContact CG-CE1 4.43Å; Q103-Y131 HydrophobicContact CG-CE2 3.53Å; Q103-Y131 HydrophobicContact CG-CG 3.64Å; Q103-Y131 VanDerWaalsContact NE2-CB 3.35Å; Q103-G135 VanDerWaalsContact OE1-CA 3.25Å; Q103-N136 PolarHBondContact N-OD1 3.1Å
104M97Very high91.8Very high1 Ų126.7 Ų26.71%0.00513%0.13CC..Hα-helixtrans-60.1-44.5178.4-71.5178.876.900112.1H14 L17 R18 S78 W81 Y82 H100 F101H14-M104 WeakPolarHBondContact NE2-CE 3.29Å; L17-M104 HydrophobicContact CD1-CE 3.86Å; R18-M104 WeakPolarHBondContact CD-O 3.03Å; R18-M104 WeakPolarHBondContact CG-O 3.34Å; R18-M104 PolarHBondContact NH1-O 3.01Å; S78-M104 WeakPolarHBondContact O-CE 3.43Å; W81-M104 HydrophobicContact CB-CG 4.27Å; W81-M104 HydrophobicContact CB-SD 3.31Å; W81-M104 WeakPolarHBondContact CB-SD 3.31Å; W81-M104 HydrophobicContact CE3-SD 4.42Å; W81-M104 HydrophobicContact CG-SD 4.43Å; Y82-M104 PolarHBondContact N-SD 2.78Å; Y82-M104 VanDerWaalsContact N-SD 3.4Å; H100-M104 VanDerWaalsContact O-CG 3.32Å; H100-M104 WeakPolarHBondContact O-CG 3.31Å; H100-M104 PolarHBondContact O-N 3.3Å; F101-M104 WeakPolarHBondContact O-CB 3.33Å; F101-M104 PolarHBondContact O-N 2.86Å; F101-M104 VanDerWaalsContact O-N 3.1Å
105I96.5Very high92.9Very high0 Ų022 Ų220%011%0.111CC..THydrogen-bonded Turntrans-9411.1-176.867.8156.2000113.8R18 H21 C23 Y82 F101 Q103 K107 N143 V144R18-I105 HydrophobicContact CG-CG2 4.42Å; H21-I105 HydrophobicContact CB-CD1 4.41Å; H21-I105 WeakPolarHBondContact ND1-CD1 3.37Å; C23-I105 PolarHBondContact SG-O 3.35Å; Y82-I105 HydrophobicContact CD2-CG2 4.29Å; Y82-I105 HydrophobicContact CE2-CG2 4.06Å; F101-I105 HydrophobicContact CD2-CG1 4.47Å; F101-I105 HydrophobicContact CE1-CD1 3.8Å; F101-I105 HydrophobicContact CE1-CG1 4.32Å; F101-I105 HydrophobicContact CE2-CD1 3.65Å; F101-I105 HydrophobicContact CE2-CG1 4.01Å; F101-I105 HydrophobicContact CE2-CG2 4.12Å; F101-I105 HydrophobicContact CZ-CD1 3.22Å; F101-I105 HydrophobicContact CZ-CG1 3.95Å; F101-I105 WeakPolarHBondContact O-CG1 3.32Å; F101-I105 PolarHBondContact O-N 3.39Å; F101-I105 VanDerWaalsContact O-N 3.13Å; Q103-I105 VanDerWaalsContact C-N 3.34Å; Q103-I105 PolarHBondContact O-N 2.63Å; I105-K107 PolarHBondContact O-N 2.93Å; I105-N143 VanDerWaalsContact O-O 3.09Å; I105-V144 HydrophobicContact CD1-CG1 3.66Å; I105-V144 HydrophobicContact CG1-CG1 4.22Å
106W96.8Very high94Very high7 Ų721.1 Ų21.13%0.02711%0.107CC..  trans-60.7112.3-179-159-101.8000111.2R18 T102 Q103 S108 T109 G138 F140 N143 V144R18-W106 PolarHBondContact NH1-O 2.81Å; R18-W106 PolarHBondContact NH2-O 2.65Å; T102-W106 PolarHBondContact O-N 3.49Å; Q103-W106 WeakPolarHBondContact O-CB 3.4Å; Q103-W106 PolarHBondContact O-N 3.49Å; W106-S108 VanDerWaalsContact C-N 3.29Å; W106-S108 PolarHBondContact O-N 3.27Å; W106-T109 WeakPolarHBondContact CB-OG1 3.43Å; W106-T109 WeakPolarHBondContact O-CB 3.2Å; W106-T109 PolarHBondContact O-N 3.32Å; W106-T109 VanDerWaalsContact O-N 3.11Å; W106-G138 WeakPolarHBondContact CH2-O 3.45Å; W106-G138 VanDerWaalsContact CZ2-O 3.22Å; W106-G138 WeakPolarHBondContact CZ2-O 3.19Å; W106-F140 AromaticContact CH2-CD1 3.86Å; W106-F140 HydrophobicContact CH2-CD1 3.86Å; W106-F140 HydrophobicContact CH2-CD2 4.17Å; W106-F140 AromaticContact CH2-CE1 3.93Å; W106-F140 HydrophobicContact CH2-CE1 3.93Å; W106-F140 HydrophobicContact CH2-CE2 4.21Å; W106-F140 AromaticContact CH2-CG 3.98Å; W106-F140 HydrophobicContact CH2-CG 3.98Å; W106-F140 HydrophobicContact CH2-CZ 4.07Å; W106-F140 AromaticContact CZ3-CD1 3.52Å; W106-F140 HydrophobicContact CZ3-CD1 3.52Å; W106-F140 AromaticContact CZ3-CE1 3.57Å; W106-F140 HydrophobicContact CZ3-CE1 3.57Å; W106-F140 HydrophobicContact CZ3-CG 4.08Å; W106-F140 HydrophobicContact CZ3-CZ 4.14Å; W106-N143 WeakPolarHBondContact CA-O 3.44Å; W106-N143 HydrophobicContact CD2-CB 3.44Å; W106-N143 VanDerWaalsContact CD2-CB 3.44Å; W106-N143 HydrophobicContact CE3-CB 3.74Å; W106-N143 HydrophobicContact CG-CB 4.01Å; W106-N143 HydrophobicContact CH2-CB 3.9Å; W106-N143 HydrophobicContact CZ2-CB 3.59Å; W106-N143 HydrophobicContact CZ3-CB 3.95Å; W106-N143 PolarHBondContact NE1-OD1 2.82Å; W106-V144 HydrophobicContact CE3-CG2 3.75Å; W106-V144 HydrophobicContact CZ3-CG2 3.59Å
107K96.5Very high95.1Very high61 Ų6119.3 Ų19.327%0.26510%0.097SC..THydrogen-bonded Turntrans-58.5-38.5-171.5-167.6178.1-178.9-1800113.3I105 W142 N143I105-K107 PolarHBondContact O-N 2.93Å; K107-W142 HydrophobicContact CD-CD2 4.49Å; K107-W142 HydrophobicContact CD-CZ2 4.14Å; K107-W142 VanDerWaalsContact NZ-CZ2 3.26Å; K107-N143 PolarHBondContact N-O 2.78Å
108S97Very high95.9Very high51 Ų5121.4 Ų21.436%0.35710%0.104SC..THydrogen-bonded Turntrans-81.5-12.2-178.5-56.40000114.2W106 P133 N143W106-S108 VanDerWaalsContact C-N 3.29Å; W106-S108 PolarHBondContact O-N 3.27Å; S108-P133 WeakPolarHBondContact O-CD 3.35Å; S108-N143 VanDerWaalsContact CB-OD1 3.25Å; S108-N143 WeakPolarHBondContact CB-OD1 3.32Å; S108-N143 PolarHBondContact N-OD1 3.01Å; S108-N143 PolarHBondContact OG-OD1 3.2Å
109T98.2Very high96.3Very high0 Ų021.6 Ų21.60%011%0.106CC..  trans-73.4131.8172-62.80000108.7R18 L26 Q103 W106 Y131 P133R18-T109 PolarHBondContact NH2-O 3.39Å; R18-T109 VanDerWaalsContact NH2-O 3.15Å; L26-T109 HydrophobicContact CD2-CG2 3.72Å; L26-T109 WeakPolarHBondContact CD2-O 3.36Å; Q103-T109 PolarHBondContact NE2-OG1 2.97Å; W106-T109 WeakPolarHBondContact CB-OG1 3.43Å; W106-T109 WeakPolarHBondContact O-CB 3.2Å; W106-T109 PolarHBondContact O-N 3.32Å; W106-T109 VanDerWaalsContact O-N 3.11Å; T109-Y131 HydrophobicContact CG2-CD1 4.19Å; T109-Y131 HydrophobicContact CG2-CG 4.44Å; T109-P133 PolarHBondContact OG1-O 2.98Å
110T98.2Very high96.4Very high73 Ų7328.7 Ų28.745%0.44814%0.141SC..  trans-122.2-22.1-173.856.30000113.6L26 Q27 L132L26-T110 WeakPolarHBondContact CA-O 3.19Å; Q27-T110 PolarHBondContact N-O 3.43Å; T110-L132 PolarHBondContact N-O 2.94Å; T110-L132 PolarHBondContact OG1-O 3.48Å
111R98.4Very high96.4Very high95 Ų9532.3 Ų32.336%0.35816%0.161SC..EExtended strand (participates in β ladder)trans-127.7145.2-177-63.4-171.8-66.4174-10.7111.2Q27 D29 L32 Y131 L132Q27-R111 CarbonylContact O-C 3.58Å; Q27-R111 VanDerWaalsContact O-CA 3.29Å; Q27-R111 WeakPolarHBondContact O-CA 3.26Å; D29-R111 HydrophobicContact CB-CB 4.03Å; D29-R111 HydrophobicContact CB-CG 4.49Å; D29-R111 VanDerWaalsContact OD2-CD 3.3Å; D29-R111 WeakPolarHBondContact OD2-CD 3.37Å; D29-R111 IonicContact OD2-CZ 2.67Å; D29-R111 IonicContact OD2-NE 3.93Å; D29-R111 IonicContact OD2-NH1 3.6Å; D29-R111 PolarHBondContact OD2-NH1 2.98Å; L32-R111 HydrophobicContact CD1-CB 4.12Å; R111-Y131 WeakPolarHBondContact O-CA 3.27Å; R111-L132 HydrophobicContact CB-CB 4.44Å; R111-L132 PolarHBondContact N-O 3.23Å; R111-L132 PolarHBondContact O-N 3.43Å
112A98.4Very high96.4Very high0 Ų037.8 Ų37.80%019%0.186CC..EExtended strand (participates in β ladder)trans-145.5159.2174.200000112.7I11 L26 Q27 L28 D29 F114 R130 Y131I11-A112 HydrophobicContact CD1-CB 4.3Å; L26-A112 HydrophobicContact CD1-CB 4.01Å; Q27-A112 PolarHBondContact O-N 3.45Å; L28-A112 WeakPolarHBondContact CA-O 3.33Å; D29-A112 PolarHBondContact N-O 2.8Å; A112-F114 HydrophobicContact CB-CE2 4.26Å; A112-F114 HydrophobicContact CB-CZ 4.02Å; A112-R130 CarbonylContact C-O 3.58Å; A112-R130 WeakPolarHBondContact CA-O 3.44Å; A112-R130 WeakPolarHBondContact CB-O 3.18Å; A112-Y131 HydrophobicContact CB-CD1 3.99Å; A112-Y131 HydrophobicContact CB-CE1 4.25Å
113G98.3Very high96.2Very high0 Ų039.1 Ų39.10%019%0.194CC..EExtended strand (participates in β ladder)trans-152147.5172.100000110.8R130G113-R130 PolarHBondContact N-O 2.79Å; G113-R130 PolarHBondContact O-N 2.86Å
114F98.4Very high95.9Very high1 Ų140.9 Ų40.90%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-127.6143.5-171.6-48.7-86.1000112F6 N7 A10 I11 H14 L28 W81 A112 V128F6-F114 HydrophobicContact CD1-CB 4.18Å; F6-F114 HydrophobicContact CE1-CB 3.9Å; N7-F114 PolarHBondContact ND2-O 3.19Å; N7-F114 WeakPolarHBondContact OD1-CA 3.26Å; N7-F114 WeakPolarHBondContact OD1-CB 3.16Å; N7-F114 WeakPolarHBondContact OD1-CD2 3.26Å; N7-F114 PolarHBondContact OD1-N 2.77Å; N7-F114 PolarHBondContact OD1-O 3.11Å; A10-F114 HydrophobicContact CB-CB 4.43Å; A10-F114 HydrophobicContact CB-CD1 4.08Å; A10-F114 HydrophobicContact CB-CD2 3.53Å; A10-F114 HydrophobicContact CB-CE1 4.22Å; A10-F114 HydrophobicContact CB-CE2 3.68Å; A10-F114 HydrophobicContact CB-CG 3.74Å; A10-F114 HydrophobicContact CB-CZ 4.03Å; I11-F114 HydrophobicContact CB-CE2 4.28Å; I11-F114 HydrophobicContact CD1-CE2 4.17Å; H14-F114 AromaticContact CE1-CE1 3.37Å; H14-F114 WeakPolarHBondContact CE1-CE1 3.41Å; H14-F114 AromaticContact CE1-CZ 3.52Å; H14-F114 AromaticContact CG-CZ 3.99Å; H14-F114 AromaticContact ND1-CZ 3.67Å; H14-F114 AromaticContact NE2-CE1 3.56Å; H14-F114 AromaticContact NE2-CZ 3.74Å; L28-F114 HydrophobicContact CD2-CD2 4.11Å; L28-F114 HydrophobicContact CD2-CE2 4.13Å; W81-F114 HydrophobicContact CH2-CD1 4.43Å; W81-F114 HydrophobicContact CZ3-CD1 4.16Å; W81-F114 HydrophobicContact CZ3-CE1 4.03Å; A112-F114 HydrophobicContact CB-CE2 4.26Å; A112-F114 HydrophobicContact CB-CZ 4.02Å; F114-V128 CarbonylContact C-O 3.57Å; F114-V128 VanDerWaalsContact CA-O 3.29Å; F114-V128 WeakPolarHBondContact CA-O 3.46Å
115G98Very high95.7Very high0 Ų040.8 Ų40.80%020%0.202CC..EExtended strand (participates in β ladder)trans-124.6143.8177.400000111.6V127 V128G115-V127 WeakPolarHBondContact O-CA 3.39Å; G115-V128 PolarHBondContact N-O 2.81Å; G115-V128 PolarHBondContact O-N 2.94Å
116L97.5Very high95.6Very high13 Ų1341 Ų417%0.06820%0.202CC..EExtended strand (participates in β ladder)trans-136.4127176.6168.464.7000109.4F6 Q37 I72 F118 A125 Y126 V127F6-L116 HydrophobicContact CD1-CB 4.11Å; F6-L116 HydrophobicContact CD2-CB 4.35Å; F6-L116 HydrophobicContact CD2-CD2 3.67Å; F6-L116 HydrophobicContact CE1-CB 4.12Å; F6-L116 HydrophobicContact CE2-CB 4.36Å; F6-L116 HydrophobicContact CE2-CD2 3.95Å; F6-L116 HydrophobicContact CG-CB 4.23Å; F6-L116 HydrophobicContact CG-CD2 4.14Å; F6-L116 HydrophobicContact CZ-CB 4.26Å; Q37-L116 PolarHBondContact NE2-O 2.93Å; Q37-L116 PolarHBondContact OE1-O 2.99Å; I72-L116 HydrophobicContact CG2-CD1 3.61Å; I72-L116 HydrophobicContact CG2-CD2 4.11Å; L116-F118 HydrophobicContact CD1-CE1 4.46Å; L116-F118 HydrophobicContact CD1-CE2 4.12Å; L116-F118 HydrophobicContact CD1-CZ 4Å; L116-F118 HydrophobicContact CD2-CE2 3.84Å; L116-F118 HydrophobicContact CD2-CZ 3.89Å; L116-F118 HydrophobicContact CG-CE2 3.89Å; L116-F118 HydrophobicContact CG-CZ 4.16Å; L116-A125 HydrophobicContact CD1-CB 4.05Å; L116-Y126 WeakPolarHBondContact CA-O 3.34Å; L116-V127 HydrophobicContact CD1-CG2 3.67Å
117A97.2Very high95.6Very high9 Ų940.7 Ų40.77%0.07420%0.201CC..EExtended strand (participates in β ladder)trans-134.4156.2171.200000110.7A40 E41 A44 A125 Y126A40-A117 VanDerWaalsContact C-CB 3.4Å; A40-A117 HydrophobicContact CB-CB 3.94Å; A40-A117 WeakPolarHBondContact O-CB 3.32Å; E41-A117 HydrophobicContact CB-CB 4.49Å; E41-A117 HydrophobicContact CG-CB 4.06Å; A44-A117 HydrophobicContact CB-CB 3.76Å; A117-A125 WeakPolarHBondContact O-CA 3.19Å; A117-Y126 PolarHBondContact N-O 3.34Å; A117-Y126 PolarHBondContact O-N 3.27Å
118F95.5Very high95.6Very high75 Ų7537.8 Ų37.833%0.32919%0.188SC..EExtended strand (participates in β ladder)trans-116150.9178.2-64.6-88000110.3C70 I72 L116 K124 A125C70-F118 HydrophobicContact CB-CD1 4.16Å; C70-F118 HydrophobicContact CB-CE1 4.03Å; C70-F118 WeakPolarHBondContact O-CE1 3.46Å; I72-F118 HydrophobicContact CG2-CZ 4.46Å; L116-F118 HydrophobicContact CD1-CE1 4.46Å; L116-F118 HydrophobicContact CD1-CE2 4.12Å; L116-F118 HydrophobicContact CD1-CZ 4Å; L116-F118 HydrophobicContact CD2-CE2 3.84Å; L116-F118 HydrophobicContact CD2-CZ 3.89Å; L116-F118 HydrophobicContact CG-CE2 3.89Å; L116-F118 HydrophobicContact CG-CZ 4.16Å; F118-K124 CarbonylContact C-O 3.53Å; F118-K124 WeakPolarHBondContact CA-O 3.29Å; F118-A125 HydrophobicContact CD1-CB 3.77Å; F118-A125 HydrophobicContact CE1-CB 3.62Å; F118-A125 HydrophobicContact CZ-CB 4.49Å
119S93.6Very high95.6Very high4 Ų435.3 Ų35.33%0.02817%0.172CC..  trans-59.9164167.852.60000111.2D121 Q122 T123 K124S119-D121 WeakPolarHBondContact CB-OD1 3.17Å; S119-D121 PolarHBondContact O-N 3.44Å; S119-D121 PolarHBondContact OG-OD1 3.4Å; S119-Q122 WeakPolarHBondContact O-CA 3.43Å; S119-Q122 PolarHBondContact O-N 2.73Å; S119-T123 PolarHBondContact OG-N 2.94Å; S119-K124 PolarHBondContact N-O 3.26Å; S119-K124 WeakPolarHBondContact OG-CB 3.49Å; S119-K124 PolarHBondContact OG-N 3.24Å; S119-K124 PolarHBondContact OG-O 3.49Å
120Q92.8Very high95.6Very high198 Ų19835.5 Ų35.593%0.92517%0.172SC*.THydrogen-bonded Turntrans-57.7-35.2-178-172.3176.815.500113.2Q122Q120-Q122 VanDerWaalsContact C-N 3.28Å
121D92.4Very high95.6Very high88 Ų8832 Ų3247%0.47115%0.151SC..THydrogen-bonded Turntrans-84.20.7176.368.2-11.4000113.7S119 T123S119-D121 WeakPolarHBondContact CB-OD1 3.17Å; S119-D121 PolarHBondContact O-N 3.44Å; S119-D121 PolarHBondContact OG-OD1 3.4Å; D121-T123 HydrophobicContact CB-CG2 4.24Å; D121-T123 PolarHBondContact O-N 2.99Å; D121-T123 VanDerWaalsContact O-N 3.11Å; D121-T123 PolarHBondContact OD1-N 3.24Å; D121-T123 VanDerWaalsContact OD1-N 3.11Å; D121-T123 PolarHBondContact OD1-OG1 2.88Å; D121-T123 VanDerWaalsContact OD2-CG2 3.31Å; D121-T123 WeakPolarHBondContact OD2-CG2 3.12Å; D121-T123 PolarHBondContact OD2-OG1 2.87Å
122Q92.9Very high95.5Very high114 Ų11429.8 Ų29.853%0.53315%0.146SC..SBendtrans58.311.9-175.4-55.2-175.932.300115.2P69 C70 S119 Q120P69-Q122 WeakPolarHBondContact CA-O 3.24Å; P69-Q122 HydrophobicContact CB-CB 4.35Å; C70-Q122 WeakPolarHBondContact CB-O 3.41Å; C70-Q122 PolarHBondContact N-O 3.38Å; S119-Q122 WeakPolarHBondContact O-CA 3.43Å; S119-Q122 PolarHBondContact O-N 2.73Å; Q120-Q122 VanDerWaalsContact C-N 3.28Å
123T91.1Very high95.4Very high29 Ų2932.8 Ų32.818%0.17817%0.165CC..  trans-82.8-18.3-178.567.20000112.7M65 S66 S119 D121M65-T123 CarbonylContact C-O 3.58Å; M65-T123 WeakPolarHBondContact CA-O 3.17Å; S66-T123 PolarHBondContact N-O 3.27Å; S66-T123 VanDerWaalsContact O-CB 3.29Å; S66-T123 WeakPolarHBondContact O-CB 3.43Å; S119-T123 PolarHBondContact OG-N 2.94Å; D121-T123 HydrophobicContact CB-CG2 4.24Å; D121-T123 PolarHBondContact O-N 2.99Å; D121-T123 VanDerWaalsContact O-N 3.11Å; D121-T123 PolarHBondContact OD1-N 3.24Å; D121-T123 VanDerWaalsContact OD1-N 3.11Å; D121-T123 PolarHBondContact OD1-OG1 2.88Å; D121-T123 VanDerWaalsContact OD2-CG2 3.31Å; D121-T123 WeakPolarHBondContact OD2-CG2 3.12Å; D121-T123 PolarHBondContact OD2-OG1 2.87Å
124K89.4Confident95.2Very high39 Ų3934.5 Ų34.517%0.1718%0.176CC..EExtended strand (participates in β ladder)trans-119.3139179.9-52.3169.3-164.6159.70110.4E47 F63 K64 M65 F118 S119 Y126E47-K124 IonicContact OE1-NZ 3.13Å; E47-K124 PolarHBondContact OE1-NZ 3.42Å; E47-K124 IonicContact OE2-NZ 2.81Å; E47-K124 PolarHBondContact OE2-NZ 3.4Å; E47-K124 VanDerWaalsContact OE2-NZ 3.11Å; F63-K124 HydrophobicContact CE2-CB 3.69Å; F63-K124 HydrophobicContact CE2-CD 4.07Å; F63-K124 HydrophobicContact CE2-CG 4.03Å; F63-K124 HydrophobicContact CZ-CB 4Å; F63-K124 HydrophobicContact CZ-CD 4Å; F63-K124 HydrophobicContact CZ-CG 3.87Å; K64-K124 CarbonylContact O-C 3.54Å; K64-K124 VanDerWaalsContact O-CA 3.27Å; K64-K124 WeakPolarHBondContact O-CA 3.38Å; M65-K124 HydrophobicContact CG-CG 4.28Å; F118-K124 CarbonylContact C-O 3.53Å; F118-K124 WeakPolarHBondContact CA-O 3.29Å; S119-K124 PolarHBondContact N-O 3.26Å; S119-K124 WeakPolarHBondContact OG-CB 3.49Å; S119-K124 PolarHBondContact OG-N 3.24Å; S119-K124 PolarHBondContact OG-O 3.49Å; K124-Y126 HydrophobicContact CB-CE2 3.8Å; K124-Y126 HydrophobicContact CD-CE2 4.46Å
125A93Very high95Very high0 Ų034.6 Ų34.60%018%0.177CC..EExtended strand (participates in β ladder)trans-116.8133.1172.500000109.6F63 K64 C70 I72 L116 A117 F118F63-A125 CarbonylContact C-O 3.52Å; F63-A125 WeakPolarHBondContact CA-O 3.14Å; K64-A125 HydrophobicContact CB-CB 4.3Å; K64-A125 PolarHBondContact N-O 2.74Å; K64-A125 PolarHBondContact O-N 3.39Å; C70-A125 HydrophobicContact CB-CB 4.48Å; I72-A125 HydrophobicContact CG2-CB 3.85Å; L116-A125 HydrophobicContact CD1-CB 4.05Å; A117-A125 WeakPolarHBondContact O-CA 3.19Å; F118-A125 HydrophobicContact CD1-CB 3.77Å; F118-A125 HydrophobicContact CE1-CB 3.62Å; F118-A125 HydrophobicContact CZ-CB 4.49Å
126Y94.1Very high94.6Very high4 Ų436.4 Ų36.42%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-115.9125.3177.4-63-97000108.2L43 A44 E47 L49 F63 L116 A117 K124L43-Y126 HydrophobicContact CB-CD1 3.74Å; L43-Y126 HydrophobicContact CB-CE1 4.49Å; L43-Y126 HydrophobicContact CB-CG 4.09Å; A44-Y126 HydrophobicContact CB-CD2 3.66Å; A44-Y126 HydrophobicContact CB-CE2 4.16Å; A44-Y126 HydrophobicContact CB-CG 4.27Å; E47-Y126 VanDerWaalsContact C-OH 3.24Å; E47-Y126 VanDerWaalsContact CA-OH 3.24Å; E47-Y126 WeakPolarHBondContact CA-OH 3.36Å; E47-Y126 PolarHBondContact O-OH 3.49Å; L49-Y126 HydrophobicContact CD1-CD1 4.17Å; F63-Y126 AromaticContact CD2-CD1 3.86Å; F63-Y126 HydrophobicContact CD2-CD1 3.86Å; F63-Y126 AromaticContact CD2-CE1 3.59Å; F63-Y126 HydrophobicContact CD2-CE1 3.59Å; F63-Y126 HydrophobicContact CD2-CE2 4.36Å; F63-Y126 HydrophobicContact CD2-CG 4.37Å; F63-Y126 AromaticContact CD2-CZ 3.87Å; F63-Y126 HydrophobicContact CE2-CD1 4.36Å; F63-Y126 AromaticContact CE2-CE1 3.71Å; F63-Y126 HydrophobicContact CE2-CE1 3.71Å; F63-Y126 HydrophobicContact CE2-CE2 4.01Å; F63-Y126 AromaticContact CE2-CZ 3.5Å; L116-Y126 WeakPolarHBondContact CA-O 3.34Å; A117-Y126 PolarHBondContact N-O 3.34Å; A117-Y126 PolarHBondContact O-N 3.27Å; K124-Y126 HydrophobicContact CB-CE2 3.8Å; K124-Y126 HydrophobicContact CD-CE2 4.46Å
127V96.1Very high94.1Very high0 Ų041.7 Ų41.70%021%0.209CC..EExtended strand (participates in β ladder)trans-125.7137.1-175.2-178.50000110F6 L61 A62 I72 V77 W81 G115 L116F6-V127 HydrophobicContact CE1-CG1 3.96Å; F6-V127 HydrophobicContact CZ-CG1 3.62Å; F6-V127 HydrophobicContact CZ-CG2 4.11Å; L61-V127 WeakPolarHBondContact CA-O 3.46Å; A62-V127 HydrophobicContact CB-CB 4.14Å; A62-V127 PolarHBondContact N-O 3.25Å; A62-V127 PolarHBondContact O-N 3.15Å; I72-V127 HydrophobicContact CD1-CG2 4.21Å; I72-V127 HydrophobicContact CG2-CG2 4.47Å; V77-V127 HydrophobicContact CG1-CG1 3.88Å; V77-V127 HydrophobicContact CG2-CB 4.42Å; V77-V127 HydrophobicContact CG2-CG1 4.11Å; V77-V127 HydrophobicContact CG2-CG2 4.04Å; W81-V127 HydrophobicContact CH2-CG1 4.17Å; W81-V127 HydrophobicContact CZ2-CG1 4.3Å; G115-V127 WeakPolarHBondContact O-CA 3.39Å; L116-V127 HydrophobicContact CD1-CG2 3.67Å
128V96.5Very high93.4Very high0 Ų043.3 Ų43.30%023%0.227CC..EExtended strand (participates in β ladder)trans-127.6128.4178.5-175.80000108.3A36 W39 A40 L43 E59 N60 L61 F114 G115 R130A36-V128 HydrophobicContact CB-CB 4.28Å; A36-V128 HydrophobicContact CB-CG1 4.12Å; W39-V128 HydrophobicContact CB-CG1 4.4Å; W39-V128 HydrophobicContact CB-CG2 4.2Å; W39-V128 HydrophobicContact CG-CG2 4.32Å; A40-V128 HydrophobicContact CB-CG2 3.87Å; L43-V128 HydrophobicContact CD1-CG2 3.66Å; E59-V128 HydrophobicContact CG-CG1 4.05Å; N60-V128 CarbonylContact O-C 3.56Å; N60-V128 WeakPolarHBondContact O-CA 3.28Å; L61-V128 HydrophobicContact CD2-CB 4.19Å; L61-V128 HydrophobicContact CD2-CG1 4.01Å; L61-V128 HydrophobicContact CD2-CG2 3.75Å; F114-V128 CarbonylContact C-O 3.57Å; F114-V128 VanDerWaalsContact CA-O 3.29Å; F114-V128 WeakPolarHBondContact CA-O 3.46Å; G115-V128 PolarHBondContact N-O 2.81Å; G115-V128 PolarHBondContact O-N 2.94Å; V128-R130 HydrophobicContact CG1-CG 4.16Å
129G97.5Very high93Very high0 Ų045.7 Ų45.70%024%0.243CC..EExtended strand (participates in β ladder)trans-112.1133.8166.700000109.7E59 N60 Y131E59-G129 CarbonylContact C-O 3.55Å; E59-G129 VanDerWaalsContact CA-O 3.29Å; E59-G129 WeakPolarHBondContact CA-O 3.29Å; N60-G129 PolarHBondContact N-O 3.14Å; N60-G129 PolarHBondContact O-N 3.14Å; G129-Y131 WeakPolarHBondContact O-CE2 3.46Å
130R97.5Very high92.8Very high4 Ų446.3 Ų46.32%0.01525%0.245CC..EExtended strand (participates in β ladder)trans-119.9145.5177.2-70.2-170173.3176.4-5.2111.7L32 S35 A36 S52 Y57 G58 E59 A112 G113 V128L32-R130 HydrophobicContact CB-CB 4.44Å; L32-R130 HydrophobicContact CD2-CB 4.26Å; S35-R130 VanDerWaalsContact C-NH1 3.28Å; S35-R130 PolarHBondContact O-NH1 2.91Å; S35-R130 PolarHBondContact OG-NH1 3.34Å; A36-R130 HydrophobicContact CB-CB 4.48Å; A36-R130 HydrophobicContact CB-CG 4.05Å; S52-R130 PolarHBondContact OG-NH2 3.17Å; Y57-R130 HydrophobicContact CD2-CB 4.42Å; Y57-R130 HydrophobicContact CD2-CG 3.93Å; Y57-R130 HydrophobicContact CE2-CG 4.21Å; Y57-R130 HydrophobicContact CG-CG 4.48Å; Y57-R130 PolarHBondContact OH-NH1 3.24Å; Y57-R130 PolarHBondContact OH-NH2 3.04Å; G58-R130 VanDerWaalsContact O-CA 3.28Å; G58-R130 WeakPolarHBondContact O-CA 3.46Å; E59-R130 IonicContact OE2-CZ 2.73Å; E59-R130 IonicContact OE2-NE 2.7Å; E59-R130 PolarHBondContact OE2-NE 2.92Å; E59-R130 IonicContact OE2-NH2 3.53Å; E59-R130 PolarHBondContact OE2-NH2 3.31Å; A112-R130 CarbonylContact C-O 3.58Å; A112-R130 WeakPolarHBondContact CA-O 3.44Å; A112-R130 WeakPolarHBondContact CB-O 3.18Å; G113-R130 PolarHBondContact N-O 2.79Å; G113-R130 PolarHBondContact O-N 2.86Å; V128-R130 HydrophobicContact CG1-CG 4.16Å
131Y98.1Very high92.6Very high0 Ų040.7 Ų40.70%024%0.24CC..EExtended strand (participates in β ladder)trans-137.4137.2-167.6-56.7-85.9000111.7H14 L26 Y57 G58 N60 W81 Q103 T109 R111 A112 G129H14-Y131 AromaticContact NE2-CE1 3.99Å; H14-Y131 PolarHBondContact NE2-OH 3.11Å; H14-Y131 VanDerWaalsContact NE2-OH 3.11Å; L26-Y131 HydrophobicContact CD1-CD1 4.45Å; L26-Y131 HydrophobicContact CD1-CE1 4.5Å; Y57-Y131 CarbonylContact C-O 3.53Å; Y57-Y131 WeakPolarHBondContact CA-O 3.18Å; Y57-Y131 WeakPolarHBondContact CB-O 3.43Å; G58-Y131 PolarHBondContact N-O 2.97Å; G58-Y131 PolarHBondContact O-N 2.85Å; N60-Y131 HydrophobicContact CB-CE2 3.77Å; N60-Y131 PolarHBondContact ND2-OH 3.19Å; W81-Y131 WeakPolarHBondContact CZ3-OH 3.41Å; Q103-Y131 HydrophobicContact CG-CD1 4.22Å; Q103-Y131 HydrophobicContact CG-CD2 3.26Å; Q103-Y131 HydrophobicContact CG-CE1 4.43Å; Q103-Y131 HydrophobicContact CG-CE2 3.53Å; Q103-Y131 HydrophobicContact CG-CG 3.64Å; Q103-Y131 VanDerWaalsContact NE2-CB 3.35Å; T109-Y131 HydrophobicContact CG2-CD1 4.19Å; T109-Y131 HydrophobicContact CG2-CG 4.44Å; R111-Y131 WeakPolarHBondContact O-CA 3.27Å; A112-Y131 HydrophobicContact CB-CD1 3.99Å; A112-Y131 HydrophobicContact CB-CE1 4.25Å; G129-Y131 WeakPolarHBondContact O-CE2 3.46Å
132L97Very high92.5Very high47 Ų4744.1 Ų44.125%0.24625%0.247CC..EExtended strand (participates in β ladder)trans-142.3136.7178.5-164.767.6000111.6L32 D56 T110 R111L32-L132 HydrophobicContact CD1-CB 3.97Å; D56-L132 VanDerWaalsContact O-CD1 3.23Å; D56-L132 WeakPolarHBondContact O-CD1 3.34Å; T110-L132 PolarHBondContact N-O 2.94Å; T110-L132 PolarHBondContact OG1-O 3.48Å; R111-L132 HydrophobicContact CB-CB 4.44Å; R111-L132 PolarHBondContact N-O 3.23Å; R111-L132 PolarHBondContact O-N 3.43Å
133P96.2Very high92.6Very high64 Ų6439 Ų3942%0.41622%0.223SC..SBendcis-51.2153.1-18-2634.3000113.3S108 T109 G135S108-P133 WeakPolarHBondContact O-CD 3.35Å; T109-P133 PolarHBondContact OG1-O 2.98Å; P133-G135 PolarHBondContact O-N 3.43Å
134V94.4Very high92.7Very high36 Ų3638 Ų3822%0.21822%0.216CC..  trans-58.7133.1177.955.30000111.4K137V134-K137 HydrophobicContact CG1-CD 3.73Å; V134-K137 HydrophobicContact CG2-CD 4.21Å; V134-K137 HydrophobicContact CG2-CG 4.39Å
135G93Very high92.9Very high3 Ų337.1 Ų37.13%0.03122%0.215CC..  trans-89.3-171.4174.300000112.5Q103 P133 K137Q103-G135 VanDerWaalsContact OE1-CA 3.25Å; P133-G135 PolarHBondContact O-N 3.43Å; G135-K137 PolarHBondContact O-N 3.09Å
136N90.9Very high92.8Very high37 Ų3742.6 Ų42.620%0.19824%0.24CC..SBendtrans56.919176-59.9-18.6000115R99 T102 Q103 F140R99-N136 PolarHBondContact O-ND2 3.48Å; T102-N136 VanDerWaalsContact CB-OD1 3.29Å; T102-N136 WeakPolarHBondContact CB-OD1 3.5Å; T102-N136 PolarHBondContact OG1-OD1 3.08Å; Q103-N136 PolarHBondContact N-OD1 3.1Å; N136-F140 HydrophobicContact CB-CZ 4.24Å
137K85.7Confident92.5Very high125 Ų12545.5 Ų45.554%0.54325%0.252SS..SBendtrans-112.694174.6-67-170.2-173.1176.10109.3N55 V134 G135N55-K137 PolarHBondContact O-NZ 2.97Å; V134-K137 HydrophobicContact CG1-CD 3.73Å; V134-K137 HydrophobicContact CG2-CD 4.21Å; V134-K137 HydrophobicContact CG2-CG 4.39Å; G135-K137 PolarHBondContact O-N 3.09Å
138G83.5Confident92Very high43 Ų4351 Ų5144%0.44328%0.278SS..SBendtrans62.3-171.6177.600000114.2W106 F140W106-G138 WeakPolarHBondContact CH2-O 3.45Å; W106-G138 VanDerWaalsContact CZ2-O 3.22Å; W106-G138 WeakPolarHBondContact CZ2-O 3.19Å; G138-F140 WeakPolarHBondContact O-CD2 3.47Å; G138-F140 PolarHBondContact O-N 2.99Å
139D86.9Confident90.8Very high124 Ų12451.8 Ų51.866%0.66329%0.285SS*.  trans48.231.7170-61.1-20000117.1G141 W142 N143D139-G141 VanDerWaalsContact C-N 3.27Å; D139-G141 PolarHBondContact O-N 2.91Å; D139-W142 PolarHBondContact O-N 3.43Å; D139-W142 VanDerWaalsContact O-N 3.08Å; D139-N143 WeakPolarHBondContact CB-ND2 3.47Å; D139-N143 WeakPolarHBondContact O-CB 3.45Å; D139-N143 PolarHBondContact O-N 2.99Å; D139-N143 PolarHBondContact O-ND2 2.92Å; D139-N143 VanDerWaalsContact O-ND2 3.12Å
140F90.4Very high89.3Confident17 Ų1757.4 Ų57.48%0.07531%0.314CS..Hα-helixtrans-59.3-37.8-178.9-74.7-96000112.4S93 Y94 T102 W106 N136 G138 W142 N143 V144S93-F140 WeakPolarHBondContact O-CB 3.19Å; S93-F140 WeakPolarHBondContact O-CD1 3.5Å; S93-F140 VanDerWaalsContact O-CD2 3.32Å; S93-F140 WeakPolarHBondContact O-CD2 3.44Å; S93-F140 WeakPolarHBondContact O-CE1 3.46Å; S93-F140 WeakPolarHBondContact O-CG 3.32Å; Y94-F140 HydrophobicContact CD2-CE1 4.1Å; Y94-F140 HydrophobicContact CD2-CE2 4.34Å; Y94-F140 AromaticContact CD2-CZ 3.58Å; Y94-F140 HydrophobicContact CD2-CZ 3.58Å; Y94-F140 HydrophobicContact CG-CZ 4.31Å; T102-F140 HydrophobicContact CG2-CE1 4.44Å; W106-F140 AromaticContact CH2-CD1 3.86Å; W106-F140 HydrophobicContact CH2-CD1 3.86Å; W106-F140 HydrophobicContact CH2-CD2 4.17Å; W106-F140 AromaticContact CH2-CE1 3.93Å; W106-F140 HydrophobicContact CH2-CE1 3.93Å; W106-F140 HydrophobicContact CH2-CE2 4.21Å; W106-F140 AromaticContact CH2-CG 3.98Å; W106-F140 HydrophobicContact CH2-CG 3.98Å; W106-F140 HydrophobicContact CH2-CZ 4.07Å; W106-F140 AromaticContact CZ3-CD1 3.52Å; W106-F140 HydrophobicContact CZ3-CD1 3.52Å; W106-F140 AromaticContact CZ3-CE1 3.57Å; W106-F140 HydrophobicContact CZ3-CE1 3.57Å; W106-F140 HydrophobicContact CZ3-CG 4.08Å; W106-F140 HydrophobicContact CZ3-CZ 4.14Å; N136-F140 HydrophobicContact CB-CZ 4.24Å; G138-F140 WeakPolarHBondContact O-CD2 3.47Å; G138-F140 PolarHBondContact O-N 2.99Å; F140-W142 PolarHBondContact O-N 3.41Å; F140-N143 PolarHBondContact O-N 2.92Å; F140-V144 HydrophobicContact CB-CG2 4.46Å; F140-V144 HydrophobicContact CD1-CG2 3.83Å; F140-V144 WeakPolarHBondContact O-CB 3.44Å; F140-V144 PolarHBondContact O-N 2.67Å
141G87.8Confident87.1Confident80 Ų8065 Ų6583%0.82535%0.347SS*.Hα-helixtrans-61-26.2177.600000114.2D139D139-G141 VanDerWaalsContact C-N 3.27Å; D139-G141 PolarHBondContact O-N 2.91Å
142W90.7Very high84.6Confident161 Ų16174.7 Ų74.761%0.6138%0.383SS*.Hα-helixtrans-92.9-38.4174.3173.5-108.9000112.6K107 D139 F140K107-W142 HydrophobicContact CD-CD2 4.49Å; K107-W142 HydrophobicContact CD-CZ2 4.14Å; K107-W142 VanDerWaalsContact NZ-CZ2 3.26Å; D139-W142 PolarHBondContact O-N 3.43Å; D139-W142 VanDerWaalsContact O-N 3.08Å; F140-W142 PolarHBondContact O-N 3.41Å
143N94.6Very high81.9Confident5 Ų578.8 Ų78.83%0.02742%0.416CS..Hα-helixtrans-89.5-17.5-171.1-74.9-67.5000114.9I105 W106 K107 S108 D139 F140 P145I105-N143 VanDerWaalsContact O-O 3.09Å; W106-N143 WeakPolarHBondContact CA-O 3.44Å; W106-N143 HydrophobicContact CD2-CB 3.44Å; W106-N143 VanDerWaalsContact CD2-CB 3.44Å; W106-N143 HydrophobicContact CE3-CB 3.74Å; W106-N143 HydrophobicContact CG-CB 4.01Å; W106-N143 HydrophobicContact CH2-CB 3.9Å; W106-N143 HydrophobicContact CZ2-CB 3.59Å; W106-N143 HydrophobicContact CZ3-CB 3.95Å; W106-N143 PolarHBondContact NE1-OD1 2.82Å; K107-N143 PolarHBondContact N-O 2.78Å; S108-N143 VanDerWaalsContact CB-OD1 3.25Å; S108-N143 WeakPolarHBondContact CB-OD1 3.32Å; S108-N143 PolarHBondContact N-OD1 3.01Å; S108-N143 PolarHBondContact OG-OD1 3.2Å; D139-N143 WeakPolarHBondContact CB-ND2 3.47Å; D139-N143 WeakPolarHBondContact O-CB 3.45Å; D139-N143 PolarHBondContact O-N 2.99Å; D139-N143 PolarHBondContact O-ND2 2.92Å; D139-N143 VanDerWaalsContact O-ND2 3.12Å; F140-N143 PolarHBondContact O-N 2.92Å; N143-P145 WeakPolarHBondContact O-CD 3.35Å
144V93.6Very high79.2Confident8 Ų878.4 Ų78.45%0.04842%0.424CS..SBendtrans-119.469.7-179.4-170.20000109F90 F101 T102 I105 W106 F140F90-V144 HydrophobicContact CE1-CG1 4.31Å; F101-V144 HydrophobicContact CE1-CG1 4.13Å; T102-V144 HydrophobicContact CG2-CG1 3.95Å; T102-V144 HydrophobicContact CG2-CG2 3.99Å; I105-V144 HydrophobicContact CD1-CG1 3.66Å; I105-V144 HydrophobicContact CG1-CG1 4.22Å; W106-V144 HydrophobicContact CE3-CG2 3.75Å; W106-V144 HydrophobicContact CZ3-CG2 3.59Å; F140-V144 HydrophobicContact CB-CG2 4.46Å; F140-V144 HydrophobicContact CD1-CG2 3.83Å; F140-V144 WeakPolarHBondContact O-CB 3.44Å; F140-V144 PolarHBondContact O-N 2.67Å
145P92.3Very high76.7Confident21 Ų2183.3 Ų83.314%0.13645%0.449CS..PPolyproline II helixtrans-63.7148.4179.821.6-27.6000111.5H21 C23 N143H21-P145 HydrophobicContact CB-CG 4.15Å; H21-P145 PolarHBondContact ND1-O 2.89Å; H21-P145 WeakPolarHBondContact O-CG 3.26Å; C23-P145 WeakPolarHBondContact SG-CG 3.45Å; N143-P145 WeakPolarHBondContact O-CD 3.35Å
146H91.2Very high73.9Confident115 Ų11590.3 Ų90.353%0.53249%0.486SS..PPolyproline II helixtrans-56.3156.5172.3-72.4-102.2000111.3F90 Q148F90-H146 WeakPolarHBondContact CB-CE1 3.42Å; F90-H146 AromaticContact CD1-ND1 3.97Å; F90-H146 AromaticContact CG-CE1 3.77Å; F90-H146 AromaticContact CG-ND1 3.7Å; H146-Q148 WeakPolarHBondContact O-CG 3.23Å; H146-Q148 PolarHBondContact O-N 2.84Å
147Y89.2Confident71.3Confident65 Ų6597.2 Ų97.226%0.25552%0.517SS..PPolyproline II helixtrans-57.1123.7170.2178.3-100.1000110.7L20 G149 F200 L204L20-Y147 HydrophobicContact CB-CD2 3.92Å; L20-Y147 HydrophobicContact CB-CE2 3.7Å; L20-Y147 HydrophobicContact CD1-CE2 4.11Å; L20-Y147 HydrophobicContact CD2-CE2 4.19Å; L20-Y147 HydrophobicContact CG-CE2 4.21Å; Y147-G149 VanDerWaalsContact CE1-CA 3.49Å; Y147-G149 VanDerWaalsContact CZ-CA 3.5Å; Y147-F200 HydrophobicContact CD1-CE2 4.1Å; Y147-F200 HydrophobicContact CE1-CE2 4.37Å; Y147-F200 HydrophobicContact CG-CE2 4.28Å; Y147-L204 HydrophobicContact CD2-CD2 3.55Å; Y147-L204 HydrophobicContact CE2-CD2 3.15Å; Y147-L204 HydrophobicContact CE2-CG 4.49Å
148Q85.6Confident68.8Low117 Ų11796.2 Ų96.255%0.54753%0.526SS..  trans-101.7-7.5-177.9-61.3-177.9200113L20 H21 H146L20-Q148 PolarHBondContact O-N 3.05Å; H21-Q148 PolarHBondContact O-NE2 2.99Å; H146-Q148 WeakPolarHBondContact O-CG 3.23Å; H146-Q148 PolarHBondContact O-N 2.84Å
149G71.3Confident66.4Low15 Ų15104.3 Ų104.316%0.15554%0.543CS..  trans82.5170.6-174.200000113.7L20 Y147 K151L20-G149 PolarHBondContact O-N 3.27Å; Y147-G149 VanDerWaalsContact CE1-CA 3.49Å; Y147-G149 VanDerWaalsContact CZ-CA 3.5Å; G149-K151 PolarHBondContact O-N 2.99Å
150I64.5Low63.8Low118 Ų118104 Ų10461%0.60555%0.549SS*.  trans-72.9116.1173.1-58.8170.9000107.6L20 R152L20-I150 HydrophobicContact CD2-CG1 3.68Å; I150-R152 PolarHBondContact O-N 2.77Å
151K53.1Low61.1Low164 Ų164108.9 Ų108.971%0.71358%0.58SS**  trans-60.7107.6167.4-68.8-173.4-179.9-178.10108G149 S153G149-K151 PolarHBondContact O-N 2.99Å; K151-S153 PolarHBondContact O-N 3.26Å
152R44.1Very low58.6Low203 Ų203108.7 Ų108.777%0.76658%0.578SS**  trans-69.5127173.6-68.7-177.2178-174.5-0.6107.1I150 G154 D155I150-R152 PolarHBondContact O-N 2.77Å; R152-G154 PolarHBondContact O-N 2.79Å; R152-D155 PolarHBondContact O-N 3.43Å
153S40.8Very low56.1Low134 Ų134109.2 Ų109.294%0.93759%0.593SS**THydrogen-bonded Turntrans-59.389.2168.133.20000108.7K151K151-S153 PolarHBondContact O-N 3.26Å
154G40.4Very low53.3Low56 Ų56112.3 Ų112.358%0.57763%0.626SS**THydrogen-bonded Turntrans167.6-21.6-169.200000113.7R152 N156R152-G154 PolarHBondContact O-N 2.79Å; G154-N156 PolarHBondContact O-N 2.76Å
155D40.2Very low50.4Low138 Ų138115.8 Ų115.874%0.73866%0.664SS**  trans-79.455.5171.7-56.6-23.6000110.4R152 E157R152-D155 PolarHBondContact O-N 3.43Å; D155-E157 PolarHBondContact O-N 2.85Å
156N35.8Very low47.6Very low150 Ų150120.4 Ų120.480%0.80270%0.696SS**  trans-71.9111163.6-81.1-20.2000107.2G154 S158G154-N156 PolarHBondContact O-N 2.76Å; N156-S158 PolarHBondContact O-N 3.21Å
157E34.8Very low44.9Very low183 Ų183121.8 Ų121.886%0.85571%0.713SS**  trans-1.294148.6-156.8173.3-163.600113.1D155 R159D155-E157 PolarHBondContact O-N 2.85Å; E157-R159 PolarHBondContact O-N 2.82Å
158S33.7Very low42.2Very low104 Ų104128 Ų12873%0.72774%0.741SS**  trans-65.588.6170.2168.20000108.3N156 C160N156-S158 PolarHBondContact O-N 3.21Å; S158-C160 VanDerWaalsContact C-N 3.35Å; S158-C160 PolarHBondContact O-N 2.87Å
159R32.5Very low39.9Very low212 Ų212130.8 Ų130.880%0.876%0.759SS**  trans-6390.2166.5-145.3178-167.2165.72.4108.2E157 T161E157-R159 PolarHBondContact O-N 2.82Å; R159-T161 HydrophobicContact CG-CG2 4.33Å; R159-T161 PolarHBondContact O-N 3.39Å; R159-T161 VanDerWaalsContact O-N 3.08Å
160C32.7Very low38Very low118 Ų118136.8 Ų136.880%0.79779%0.788SS**  trans-79.976.8162.9-68.90000108.6S158S158-C160 VanDerWaalsContact C-N 3.35Å; S158-C160 PolarHBondContact O-N 2.87Å
161T33.9Very low36.7Very low120 Ų120138.3 Ų138.374%0.73680%0.797SS**  trans-94.890.3156.947.40000107R159R159-T161 HydrophobicContact CG-CG2 4.33Å; R159-T161 PolarHBondContact O-N 3.39Å; R159-T161 VanDerWaalsContact O-N 3.08Å
162G36.1Very low35.9Very low76 Ų76136.7 Ų136.778%0.78480%0.801SS**  trans-117103.2171.100000108.5
163D36.8Very low35.4Very low171 Ų171130.5 Ų130.591%0.91480%0.8SS**  trans-58.8152.1173.3-177.822.6000112.7
164G35.7Very low35.1Very low70 Ų70130 Ų13072%0.72280%0.797SS**  trans107.4113.9157.100000118
165G33Very low34.9Very low81 Ų81131.9 Ų131.984%0.83581%0.807SS**  trans114.490.514300000117
166S33.3Very low34.4Very low118 Ų118133.3 Ų133.383%0.82582%0.815SS**  trans-71.4127.4166.3-171.60000111.2
167T35.8Very low34.6Very low144 Ų144133.2 Ų133.288%0.88381%0.814SS**  trans-164.2116.8141.121.90000110.3
168K32.6Very low34.4Very low196 Ų196131 Ų13185%0.85281%0.808SS**  trans-68.5133.2166.1-71173.9172.2176.70109.9
169L35.9Very low34.3Very low175 Ų175132.4 Ų132.492%0.91681%0.813SS**  trans-150131141.1-83.9-178.8000109.2
170N31.4Very low34.2Very low141 Ų141127.7 Ų127.775%0.75481%0.812SS**  trans-81.1144.1176.8-48.8-39.8000108.9
171D37.3Very low34.2Very low150 Ų150134 Ų13480%0.80282%0.819SS**  -178.6131.4122.3-101.4-24.6000113.7
172T37.2Very low33.9Very low130 Ų130131 Ų13180%0.79881%0.813SS**  trans9132150.661.10000121.1
173G32.8Very low33.5Very low73 Ų73135.1 Ų135.175%0.75382%0.817SS**  trans152.999.6147.200000117.3
174S34.4Very low33.1Very low123 Ų123133.7 Ų133.786%0.8681%0.806SS**  trans65.8110.1147.6-730000122.4
175A35.9Very low32.8Very low97 Ų97139.2 Ų139.280%0.80281%0.806SS**  trans64.493.5130.600000119.1
176N31.5Very low32.6Very low168 Ų168140.9 Ų140.990%0.89881%0.805SS**  trans-68.3122.4158-62-41.2000110.2
177N38.6Very low32.7Very low147 Ų147140.2 Ų140.279%0.78679%0.792SS**  trans-123.8112.5159.6-97.3-5.6000109.4
178D30.4Very low32.5Very low136 Ų136138.5 Ų138.573%0.72778%0.778SS**  trans51.288.2138.9-62.6-23.8000119.7
179T32.1Very low32.9Very low135 Ų135135.4 Ų135.483%0.82876%0.761SS**  trans-105.586.7139.546.60000109.6R181T179-R181 VanDerWaalsContact C-N 3.27Å; T179-R181 PolarHBondContact O-N 2.77Å
180S30.8Very low32.9Very low112 Ų112134.6 Ų134.678%0.78376%0.757SS**  trans-62.686.9161.9-78.20000110G182S180-G182 PolarHBondContact O-N 3.2Å
181R31.7Very low33.1Very low251 Ų251132.4 Ų132.495%0.94775%0.753SS**  trans-8763.6156.1-91.2-176.4165.3133.5-4.7108.8T179T179-R181 VanDerWaalsContact C-N 3.27Å; T179-R181 PolarHBondContact O-N 2.77Å
182G27.5Very low33Very low58 Ų58127.5 Ų127.560%0.59873%0.726SS**  trans-127.588.1168.300000107.6S180S180-G182 PolarHBondContact O-N 3.2Å
183N28.3Very low32.9Very low162 Ų162130.8 Ų130.887%0.86672%0.724SS**  trans-165.2144.9168.4-105.2-10000110.2
184M28.3Very low33.5Very low140 Ų140131.5 Ų131.569%0.6972%0.717SS**SBendtrans79.9101.6-173.5-65.9162.759.100112.5
185Y30.1Very low33.5Very low186 Ų186128.9 Ų128.973%0.72970%0.699SS**  cis-155.298.929.6-58.1-92.2000109.5
186S29.3Very low34Very low116 Ų116129.7 Ų129.781%0.81169%0.686SS**  trans-99.2102.6156178.30000105.3D188S186-D188 PolarHBondContact O-N 3.18Å
187L34.8Very low35Very low104 Ų104127.6 Ų127.655%0.54567%0.665SS.*  trans-78.185.5174.8-74.1177.6000108R189 I192L187-R189 PolarHBondContact O-N 3.09Å; L187-R189 VanDerWaalsContact O-N 3.17Å; L187-I192 HydrophobicContact CB-CD1 3.94Å; L187-I192 HydrophobicContact CD1-CD1 4.17Å; L187-I192 HydrophobicContact CD2-CD1 4.12Å; L187-I192 HydrophobicContact CD2-CG1 4.25Å; L187-I192 HydrophobicContact CG-CD1 4.3Å
188D31.5Very low35.5Very low109 Ų109127 Ų12758%0.58365%0.652SS**  trans-56.3115.9166.9-151.1-15000108S186 N190 S191S186-D188 PolarHBondContact O-N 3.18Å; D188-N190 PolarHBondContact O-N 2.93Å; D188-S191 PolarHBondContact O-N 3.27Å
189R40.3Very low36.7Very low131 Ų131123.4 Ų123.449%0.49464%0.637SS.*THydrogen-bonded Turntrans-53.7-18.1-170.6-90.2-179.2171-166.9-6.9113.4Y87 D89 L187Y87-R189 PolarHBondContact O-NH2 3.28Å; Y87-R189 VanDerWaalsContact O-NH2 3.14Å; D89-R189 IonicContact OD2-CZ 3.49Å; D89-R189 IonicContact OD2-NE 3.76Å; L187-R189 PolarHBondContact O-N 3.09Å; L187-R189 VanDerWaalsContact O-N 3.17Å
190N37.4Very low38Very low158 Ų158119.4 Ų119.485%0.84561%0.609SS**THydrogen-bonded Turntrans-93.1-1.5-176.7-67.2-27.9000115.3D188D188-N190 PolarHBondContact O-N 2.93Å
191S33.8Very low39.6Very low94 Ų94115.5 Ų115.566%0.65758%0.577SS**  trans-114.1-5.5-172-171.20000115.4D188 R193D188-S191 PolarHBondContact O-N 3.27Å; S191-R193 PolarHBondContact O-N 3.23Å
192I36.6Very low41.2Very low47 Ų47109.3 Ų109.324%0.24156%0.559CS.*  trans-84.290.6-166.7-42179.4000111.9L187 H196 R197L187-I192 HydrophobicContact CB-CD1 3.94Å; L187-I192 HydrophobicContact CD1-CD1 4.17Å; L187-I192 HydrophobicContact CD2-CD1 4.12Å; L187-I192 HydrophobicContact CD2-CG1 4.25Å; L187-I192 HydrophobicContact CG-CD1 4.3Å; I192-H196 HydrophobicContact CG2-CB 3.89Å; I192-R197 HydrophobicContact CG2-CG 3.58Å
193R35.6Very low42.7Very low199 Ų199109 Ų10975%0.75155%0.548SS*.  trans-52.8142163.1-74.3-177.5175.4-177.7-1.3110.4S191 S195 H196S191-R193 PolarHBondContact O-N 3.23Å; R193-S195 PolarHBondContact O-N 3.41Å; R193-H196 PolarHBondContact O-N 3.02Å
194S44.2Very low44.4Very low88 Ų88101.3 Ų101.362%0.61551%0.506SS*.Hα-helixtrans-49-29.4-178.357.70000115.1R197 R198S194-R197 PolarHBondContact O-N 2.79Å; S194-R198 PolarHBondContact O-N 3.13Å
195S35.7Very low45.9Very low68 Ų6896.6 Ų96.648%0.47649%0.494SS..Hα-helixtrans-65-39.2175.956.30000113.7R193 R197 R198 S199R193-S195 PolarHBondContact O-N 3.41Å; S195-R197 VanDerWaalsContact C-N 3.34Å; S195-R198 PolarHBondContact O-N 3.19Å; S195-S199 PolarHBondContact O-N 3.1Å; S195-S199 VanDerWaalsContact O-N 3.12Å
196H45.8Very low47.3Very low114 Ų11488.2 Ų88.253%0.52846%0.461SS..Hα-helixtrans-70.6-31.1179.3-7296.6000112.1I192 R193 S199 F200I192-H196 HydrophobicContact CG2-CB 3.89Å; R193-H196 PolarHBondContact O-N 3.02Å; H196-S199 PolarHBondContact O-OG 3.36Å; H196-S199 VanDerWaalsContact O-OG 3.08Å; H196-F200 VanDerWaalsContact O-CB 3.31Å; H196-F200 WeakPolarHBondContact O-CB 3.41Å; H196-F200 PolarHBondContact O-N 3.05Å; H196-F200 VanDerWaalsContact O-N 3.08Å
197R51.8Low48.5Very low125 Ų12585 Ų8547%0.47244%0.439SS..Hα-helixtrans-67.2-39.5172.3-72.3-167.2174-177.6-2.9111.9I192 S194 S195 F200 R201I192-R197 HydrophobicContact CG2-CG 3.58Å; S194-R197 PolarHBondContact O-N 2.79Å; S195-R197 VanDerWaalsContact C-N 3.34Å; R197-F200 PolarHBondContact O-N 3.5Å; R197-R201 WeakPolarHBondContact O-CG 3.43Å; R197-R201 PolarHBondContact O-N 3.07Å
198R48.9Very low48.9Very low134 Ų13484.4 Ų84.451%0.50643%0.433SS..Hα-helixtrans-63.2-50.8176.3-69.7-173.7-154.3179.76111.4S194 S195 F200 R201 E202S194-R198 PolarHBondContact O-N 3.13Å; S195-R198 PolarHBondContact O-N 3.19Å; R198-F200 PolarHBondContact O-N 3.44Å; R198-R201 PolarHBondContact O-N 3.03Å; R198-R201 VanDerWaalsContact O-N 3.12Å; R198-E202 WeakPolarHBondContact O-CB 3.48Å; R198-E202 WeakPolarHBondContact O-CG 3.48Å; R198-E202 PolarHBondContact O-N 2.79Å
199S56.9Low49.4Very low60 Ų6089.2 Ų89.242%0.4244%0.443SS..Hα-helixtrans-61.9-34.9-179.864.10000112.5S195 H196 S203S195-S199 PolarHBondContact O-N 3.1Å; S195-S199 VanDerWaalsContact O-N 3.12Å; H196-S199 PolarHBondContact O-OG 3.36Å; H196-S199 VanDerWaalsContact O-OG 3.08Å; S199-S203 WeakPolarHBondContact O-CB 3.49Å; S199-S203 PolarHBondContact O-N 3.32Å
200F58.4Low49.2Very low51 Ų5185 Ų8522%0.22443%0.433CS..Hα-helixtrans-66.6-46.7173.2-175.4-113.1000112I85 Y147 H196 R197 R198 E202 S203 L204I85-F200 HydrophobicContact CD1-CE1 4.39Å; I85-F200 HydrophobicContact CD1-CZ 4.17Å; Y147-F200 HydrophobicContact CD1-CE2 4.1Å; Y147-F200 HydrophobicContact CE1-CE2 4.37Å; Y147-F200 HydrophobicContact CG-CE2 4.28Å; H196-F200 VanDerWaalsContact O-CB 3.31Å; H196-F200 WeakPolarHBondContact O-CB 3.41Å; H196-F200 PolarHBondContact O-N 3.05Å; H196-F200 VanDerWaalsContact O-N 3.08Å; R197-F200 PolarHBondContact O-N 3.5Å; R198-F200 PolarHBondContact O-N 3.44Å; F200-E202 VanDerWaalsContact C-N 3.32Å; F200-E202 PolarHBondContact O-N 2.88Å; F200-S203 PolarHBondContact O-N 3.12Å; F200-S203 PolarHBondContact O-OG 3.43Å; F200-L204 HydrophobicContact CD1-CD1 3.75Å; F200-L204 HydrophobicContact CE1-CD1 3.38Å; F200-L204 HydrophobicContact CE1-CG 4.3Å; F200-L204 HydrophobicContact CE2-CD1 4.34Å; F200-L204 HydrophobicContact CE2-CD2 4.45Å; F200-L204 HydrophobicContact CE2-CG 4.45Å; F200-L204 HydrophobicContact CG-CD1 4.39Å; F200-L204 HydrophobicContact CZ-CD1 3.71Å; F200-L204 HydrophobicContact CZ-CD2 4.27Å; F200-L204 HydrophobicContact CZ-CG 4.24Å; F200-L204 VanDerWaalsContact O-CG 3.25Å; F200-L204 WeakPolarHBondContact O-CG 3.38Å; F200-L204 PolarHBondContact O-N 3.19Å; F200-L204 VanDerWaalsContact O-N 3.07Å
201R65Low48.9Very low30 Ų3080.7 Ų80.711%0.11341%0.407CS..Hα-helixtrans-63.1-39.4177.5-72-178.765.482.18.6112.7D86 R197 R198 L204 G205 L206D86-R201 IonicContact OD2-CZ 2.65Å; D86-R201 IonicContact OD2-NH1 2.78Å; D86-R201 PolarHBondContact OD2-NH1 3.38Å; R197-R201 WeakPolarHBondContact O-CG 3.43Å; R197-R201 PolarHBondContact O-N 3.07Å; R198-R201 PolarHBondContact O-N 3.03Å; R198-R201 VanDerWaalsContact O-N 3.12Å; R201-L204 WeakPolarHBondContact O-CB 3.3Å; R201-L204 PolarHBondContact O-N 3.37Å; R201-G205 PolarHBondContact O-N 2.9Å; R201-L206 HydrophobicContact CB-CB 4.4Å; R201-L206 PolarHBondContact O-N 3.28Å
202E64.8Low48.5Very low122 Ų12277 Ų7757%0.5738%0.381SS*.Hα-helixtrans-61.8-42.4173.7-73.1168.6-167.300111.4R198 F200 L204 G205R198-E202 WeakPolarHBondContact O-CB 3.48Å; R198-E202 WeakPolarHBondContact O-CG 3.48Å; R198-E202 PolarHBondContact O-N 2.79Å; F200-E202 VanDerWaalsContact C-N 3.32Å; F200-E202 PolarHBondContact O-N 2.88Å; E202-L204 PolarHBondContact O-N 3.26Å; E202-G205 PolarHBondContact O-N 2.83Å
203S58.6Low48.1Very low52 Ų5277.5 Ų77.536%0.36438%0.38SS..Hα-helixtrans-67.9-23.6177.376.80000113.6S199 F200 G205S199-S203 WeakPolarHBondContact O-CB 3.49Å; S199-S203 PolarHBondContact O-N 3.32Å; F200-S203 PolarHBondContact O-N 3.12Å; F200-S203 PolarHBondContact O-OG 3.43Å; S203-G205 VanDerWaalsContact C-N 3.32Å
204L65.4Low47.7Very low0 Ų076.3 Ų76.30%038%0.376CS..THydrogen-bonded Turntrans-80.1-12.7171.9-63.6173.5000113.2R16 L20 Y82 I85 Y147 F200 R201 E202 L206R16-L204 PolarHBondContact NH1-O 3.14Å; R16-L204 VanDerWaalsContact NH1-O 3.12Å; R16-L204 PolarHBondContact NH2-O 2.61Å; L20-L204 HydrophobicContact CD1-CD2 4Å; Y82-L204 HydrophobicContact CE1-CB 4.35Å; Y82-L204 HydrophobicContact CE1-CD1 3.93Å; Y82-L204 HydrophobicContact CE1-CD2 4.04Å; Y82-L204 HydrophobicContact CE1-CG 4.32Å; Y82-L204 WeakPolarHBondContact OH-CD2 3.37Å; I85-L204 HydrophobicContact CG2-CD1 4.14Å; Y147-L204 HydrophobicContact CD2-CD2 3.55Å; Y147-L204 HydrophobicContact CE2-CD2 3.15Å; Y147-L204 HydrophobicContact CE2-CG 4.49Å; F200-L204 HydrophobicContact CD1-CD1 3.75Å; F200-L204 HydrophobicContact CE1-CD1 3.38Å; F200-L204 HydrophobicContact CE1-CG 4.3Å; F200-L204 HydrophobicContact CE2-CD1 4.34Å; F200-L204 HydrophobicContact CE2-CD2 4.45Å; F200-L204 HydrophobicContact CE2-CG 4.45Å; F200-L204 HydrophobicContact CG-CD1 4.39Å; F200-L204 HydrophobicContact CZ-CD1 3.71Å; F200-L204 HydrophobicContact CZ-CD2 4.27Å; F200-L204 HydrophobicContact CZ-CG 4.24Å; F200-L204 VanDerWaalsContact O-CG 3.25Å; F200-L204 WeakPolarHBondContact O-CG 3.38Å; F200-L204 PolarHBondContact O-N 3.19Å; F200-L204 VanDerWaalsContact O-N 3.07Å; R201-L204 WeakPolarHBondContact O-CB 3.3Å; R201-L204 PolarHBondContact O-N 3.37Å; E202-L204 PolarHBondContact O-N 3.26Å; L204-L206 VanDerWaalsContact C-N 3.27Å; L204-L206 HydrophobicContact CB-CD1 4.06Å; L204-L206 HydrophobicContact CB-CG 3.83Å; L204-L206 HydrophobicContact CD1-CD1 3.86Å
205G59.4Low46.8Very low41 Ų4179.5 Ų79.542%0.42339%0.386SS..THydrogen-bonded Turntrans7220.3-171.600000113.1R201 E202 S203R201-G205 PolarHBondContact O-N 2.9Å; E202-G205 PolarHBondContact O-N 2.83Å; S203-G205 VanDerWaalsContact C-N 3.32Å
206L59.3Low46.3Very low10 Ų1085 Ų855%0.05240%0.404CS..  trans-78.6124.7178.9-65.3175.9000110.2Q79 Y82 R201 L204Q79-L206 HydrophobicContact CB-CD2 3.97Å; Q79-L206 HydrophobicContact CG-CD2 4.13Å; Y82-L206 HydrophobicContact CD1-CD1 4.06Å; Y82-L206 HydrophobicContact CD1-CD2 3.93Å; Y82-L206 HydrophobicContact CD1-CG 4.37Å; Y82-L206 HydrophobicContact CE1-CD1 4.33Å; R201-L206 HydrophobicContact CB-CB 4.4Å; R201-L206 PolarHBondContact O-N 3.28Å; L204-L206 VanDerWaalsContact C-N 3.27Å; L204-L206 HydrophobicContact CB-CD1 4.06Å; L204-L206 HydrophobicContact CB-CG 3.83Å; L204-L206 HydrophobicContact CD1-CD1 3.86Å
207S53.8Low45.5Very low48 Ų4885 Ų8534%0.33641%0.412SS..  trans-55.7140.2177.2-178.50000112.4R209 C210S207-R209 PolarHBondContact O-N 2.86Å; S207-R209 VanDerWaalsContact O-N 3.14Å; S207-R209 WeakPolarHBondContact OG-CB 3.16Å; S207-R209 PolarHBondContact OG-N 2.97Å; S207-R209 VanDerWaalsContact OG-N 3.13Å; S207-C210 PolarHBondContact O-N 3.26Å
208E43.7Very low44.5Very low91 Ų9185 Ų8543%0.42543%0.428SS..G310 helixtrans-61.4-15168.6-67.3-149.1145.700112.6C210 K211E208-C210 PolarHBondContact O-N 3.18Å; E208-K211 HydrophobicContact CB-CD 4.4Å; E208-K211 WeakPolarHBondContact O-CB 3.43Å; E208-K211 PolarHBondContact O-N 3.35Å; E208-K211 VanDerWaalsContact O-N 3.12Å; E208-K211 WeakPolarHBondContact OE1-CE 3.04Å; E208-K211 IonicContact OE1-NZ 3.54Å; E208-K211 PolarHBondContact OE1-NZ 2.89Å; E208-K211 IonicContact OE2-NZ 3.57Å; E208-K211 PolarHBondContact OE2-NZ 2.86Å
209R42Very low43.4Very low210 Ų21088.7 Ų88.779%0.79244%0.444SS*.G310 helixtrans-58.4-17.3178.1-76.3-174.6-178179.70.7113.9S207S207-R209 PolarHBondContact O-N 2.86Å; S207-R209 VanDerWaalsContact O-N 3.14Å; S207-R209 WeakPolarHBondContact OG-CB 3.16Å; S207-R209 PolarHBondContact OG-N 2.97Å; S207-R209 VanDerWaalsContact OG-N 3.13Å
210C36Very low42Very low42 Ų4289.9 Ų89.928%0.28446%0.457SS..G310 helixtrans-93.86.6179.8-63.20000114.8S207 E208 C212S207-C210 PolarHBondContact O-N 3.26Å; E208-C210 PolarHBondContact O-N 3.18Å; C210-C212 PolarHBondContact O-N 3.38Å
211K31.9Very low40.8Very low69 Ų6992.5 Ų92.530%0.348%0.479SS..  trans-63.91.2-167.9-103.4-178.5-177.1167.50117.8E208 Y213 S294E208-K211 HydrophobicContact CB-CD 4.4Å; E208-K211 WeakPolarHBondContact O-CB 3.43Å; E208-K211 PolarHBondContact O-N 3.35Å; E208-K211 VanDerWaalsContact O-N 3.12Å; E208-K211 WeakPolarHBondContact OE1-CE 3.04Å; E208-K211 IonicContact OE1-NZ 3.54Å; E208-K211 PolarHBondContact OE1-NZ 2.89Å; E208-K211 IonicContact OE2-NZ 3.57Å; E208-K211 PolarHBondContact OE2-NZ 2.86Å; K211-Y213 PolarHBondContact O-N 3.41Å; K211-S294 WeakPolarHBondContact CB-OG 3.43Å
212C25.6Very low39Very low17 Ų17100.4 Ų100.412%0.11552%0.517CS..  trans-107.647.6-155.8-138.50000114.1C210 S294 P295 T296C210-C212 PolarHBondContact O-N 3.38Å; C212-S294 PolarHBondContact SG-O 3.15Å; C212-P295 WeakPolarHBondContact CB-O 3.22Å; C212-P295 VanDerWaalsContact SG-CA 3.52Å; C212-P295 VanDerWaalsContact SG-N 3.42Å; C212-P295 PolarHBondContact SG-O 3.11Å; C212-T296 VanDerWaalsContact CB-CA 3.4Å; C212-T296 WeakPolarHBondContact O-CA 2.76Å; C212-T296 WeakPolarHBondContact SG-CA 3.29Å; C212-T296 PolarHBondContact SG-N 3.24Å; C212-T296 PolarHBondContact SG-OG1 2.85Å
213Y28Very low37.3Very low57 Ų5797.3 Ų97.322%0.22452%0.518CS..SBendtrans-117.2107.4171.5-102.9-71.3000107.2Y87 K211 V297 R422Y87-Y213 WeakPolarHBondContact OH-CB 3.39Å; K211-Y213 PolarHBondContact O-N 3.41Å; Y213-V297 HydrophobicContact CD2-CB 4.28Å; Y213-V297 HydrophobicContact CD2-CG2 4.34Å; Y213-V297 HydrophobicContact CE2-CB 3.57Å; Y213-V297 HydrophobicContact CE2-CG1 3.91Å; Y213-V297 HydrophobicContact CE2-CG2 3.86Å; Y213-V297 WeakPolarHBondContact OH-CG1 3.21Å; Y213-R422 PolarHBondContact OH-NE 3.18Å; Y213-R422 PolarHBondContact OH-NH2 3.08Å
214W26.7Very low36Very low174 Ų174103.3 Ų103.366%0.65954%0.54SS*.  trans71.798.3170.3-55.492.4000117.3
215D24.6Very low34.1Very low155 Ų155107.7 Ų107.783%0.82957%0.57SS**  trans-146.542150.9-130.92.2000111.2
216H26.7Very low32.5Very low184 Ų184112.7 Ų112.785%0.85259%0.587SS**  trans-148.475.9170.8-64.7-48.1000111.8
217T28.1Very low31.1Very low112 Ų112119.1 Ų119.169%0.68762%0.62SS**  trans-128.1110144.832.20000106.6Y219T217-Y219 PolarHBondContact O-N 3.28Å; T217-Y219 VanDerWaalsContact O-N 3.14Å
218P30.7Very low29.7Very low125 Ų125124.1 Ų124.181%0.81264%0.643SS**  trans-62.2120.6176.1-9.121.1000108.2A220P218-A220 VanDerWaalsContact C-N 3.32Å; P218-A220 PolarHBondContact O-N 2.9Å
219Y25.6Very low29.1Very low213 Ų213128.3 Ų128.384%0.83566%0.662SS**  trans-63.499.1159.9-164.8-89.3000106.1T217 P221T217-Y219 PolarHBondContact O-N 3.28Å; T217-Y219 VanDerWaalsContact O-N 3.14Å; Y219-P221 VanDerWaalsContact O-CD 3.26Å; Y219-P221 WeakPolarHBondContact O-CD 3.36Å
220A28.5Very low28.7Very low85 Ų85125.3 Ų125.370%0.70266%0.662SS**  trans-76.1111.9169.300000107.1P218 E222P218-A220 VanDerWaalsContact C-N 3.32Å; P218-A220 PolarHBondContact O-N 2.9Å; A220-E222 PolarHBondContact O-N 3.33Å
221P32.9Very low28.5Very low105 Ų105132.6 Ų132.668%0.68269%0.692SS**  trans-72.6128.5170.23.714.5000107.2Y219 G223Y219-P221 VanDerWaalsContact O-CD 3.26Å; Y219-P221 WeakPolarHBondContact O-CD 3.36Å; P221-G223 PolarHBondContact O-N 3.14Å
222E27.5Very low28.4Very low197 Ų197140.9 Ų140.992%0.92172%0.721SS**  trans-59.6130.4167.1-65.6-165.7165.800110.1A220A220-E222 PolarHBondContact O-N 3.33Å
223G28.2Very low28.9Very low57 Ų57145.9 Ų145.959%0.58876%0.756SS**  trans99.1136.1155.300000116.3P221P221-G223 PolarHBondContact O-N 3.14Å
224H30.7Very low29.3Very low178 Ų178154.2 Ų154.282%0.82479%0.787SS**  trans82.588163.4-56-76.7000115.1
225S25.5Very low29.8Very low91 Ų91152.7 Ų152.764%0.63680%0.797SS**  88.61398066.40000112.4
226L27.6Very low30.1Very low146 Ų146148.9 Ų148.976%0.76480%0.795SS**  trans95.895.5157.8-54.8176000115.7
227I28.1Very low30.3Very low145 Ų145145 Ų14574%0.74479%0.789SS**  77.61089451.5153.9000115.9
228N25.8Very low30.5Very low153 Ų153146.4 Ų146.482%0.81879%0.79SS**  trans39.2159.2131.3-66.1-8.4000123.5
229E30.2Very low30.5Very low179 Ų179151.3 Ų151.384%0.83679%0.793SS**  trans103.7114.8170.1-57.8-169.5175.700111.7
230D35Very low30.7Very low147 Ų147146.5 Ų146.579%0.78679%0.79SS**  cis-154.6123.831.8-86.2-48.7000112.1
231E31.2Very low30.9Very low195 Ų195145.4 Ų145.491%0.91179%0.788SS**  trans-101.8123.1153.1-86.7-162.7152.300108.8
232R30.1Very low30.9Very low244 Ų244147.9 Ų147.992%0.92180%0.795SS**  trans-147.282.7159.4-124.8178.3-171.9-178.84.3111.8
233S35.3Very low30.9Very low122 Ų122147.3 Ų147.385%0.85379%0.79SS**  trans-122.290.8157.7-60.20000109.9
234R35.8Very low31.1Very low231 Ų231153.1 Ų153.187%0.87280%0.802SS**  trans28.7120.1145.9-77.5178175.1169.5-1.2119.8
235T37.2Very low30.8Very low142 Ų142155.4 Ų155.487%0.87180%0.803SS**  88.7119.413058.50000120.6
236G31.7Very low31.1Very low75 Ų75157 Ų15777%0.77381%0.814SS**  trans107.175.914700000115.3
237S31.2Very low31Very low104 Ų104161.3 Ų161.373%0.72782%0.82SS**  99.2114.181.2-177.60000113.9
238I32.2Very low31.2Very low140 Ų140159.3 Ų159.372%0.71882%0.817SS**  trans87.497.8150.6-63.2163.4000116.2
239R29.6Very low31.1Very low228 Ų228158.3 Ų158.386%0.8682%0.816SS**  73.7141.694.6-72.8-174.7178-164.8-1.1112.7
240S30.3Very low30.9Very low112 Ų112154.8 Ų154.878%0.78381%0.811SS**  cis-176.9159-1.8-910000106.4
241G33Very low30.3Very low63 Ų63157.9 Ų157.965%0.64982%0.818SS**  trans126.584.6162.200000113.2
242D32.5Very low30.2Very low156 Ų156154.4 Ų154.483%0.83482%0.815SS**  81.996.192.8-70-31.6000112.7
243F27.3Very low29.9Very low186 Ų186149.4 Ų149.482%0.81681%0.807SS**  54.7109.496.6-104.3-89.4000115
244Q32.1Very low29.4Very low179 Ų179150.5 Ų150.584%0.83680%0.803SS**  174.9123.9110.9-92.2-175.97.300114.1
245R25.4Very low29.1Very low226 Ų226147.6 Ų147.685%0.85381%0.805SS**  trans13.5128.3141.8-65.1176.3179.9-147.2-1.1119.5
246S31.4Very low28.5Very low123 Ų123145.5 Ų145.586%0.8679%0.788SS**  178.2132.2108.240.80000113.4
247R25Very low28.2Very low238 Ų238149 Ų14990%0.89879%0.787SS**  trans-67.5-176.4170.3-87.6-178.8169.2-173.8-1.5112.2
248P33Very low27.8Very low103 Ų103149.2 Ų149.267%0.66978%0.777SS**  -128.9175.7-64.437.1-18.4000110.5
249T24Very low27.5Very low131 Ų131153.1 Ų153.180%0.80478%0.784SS**  trans156.1149.1141.945.60000112.5
250S25.9Very low27.3Very low105 Ų105152 Ų15273%0.73479%0.785SS**  trans77.2109.6162.771.60000119.4
251F23.2Very low27Very low213 Ų213152 Ų15293%0.93479%0.786SS**  trans14.9119.5130.7-73.8-92.6000117.9
252S27.4Very low26.6Very low121 Ų121154.9 Ų154.985%0.84679%0.79SS**  trans-172.2136.6131.71790000110.2
253N24.2Very low26.3Very low140 Ų140158.5 Ų158.575%0.74979%0.794SS**  trans-65.6165.8170.6-70.8-40.2000112.9
254N24.7Very low26.3Very low145 Ų145155.9 Ų155.978%0.77579%0.794SS**  trans93.5121.2163.2-56.5-26.5000116
255D29.3Very low26Very low170 Ų170157.5 Ų157.591%0.90980%0.798SS**  trans-158.7131.8132.3-88.6-29.6000111.6
256D24.9Very low26.1Very low97 Ų97151.5 Ų151.552%0.51979%0.79SS.*  trans-74.9146.5-177.5-69.1-58.5000113.9S399D256-S399 WeakPolarHBondContact OD1-CB 2.75Å; D256-S399 PolarHBondContact OD1-OG 3.5Å; D256-S399 WeakPolarHBondContact OD2-CB 3.12Å; D256-S399 PolarHBondContact OD2-OG 3.37Å
257I25.4Very low25.9Very low148 Ų148150.5 Ų150.576%0.75978%0.783SS**  trans-142.6123.7154.4-55-178.4000112Y259I257-Y259 HydrophobicContact CG2-CE2 4.45Å
258H23.8Very low26Very low109 Ų109147.6 Ų147.651%0.50578%0.78SS.*  trans-78.7151.3177.7-81.5-74.6000114.6V400H258-V400 PolarHBondContact CE1-N 2.92Å; H258-V400 PolarHBondContact ND1-O 3.09Å; H258-V400 VanDerWaalsContact ND1-O 3.1Å
259Y25.2Very low25.6Very low223 Ų223149.8 Ų149.888%0.87579%0.786SS**  trans-141.1130.8150.9-89.4-84.1000112.6I257I257-Y259 HydrophobicContact CG2-CE2 4.45Å
260K24.6Very low25.7Very low203 Ų203151.6 Ų151.688%0.88379%0.79SS**  trans-76.6149.5-177.5-80.4179.3172.9178.40113.2
261S24.6Very low25.5Very low114 Ų114157.9 Ų157.980%0.79780%0.798SS**  trans-79.1134.4166.958.30000111.5
262V24.3Very low25.7Very low123 Ų123154.1 Ų154.175%0.74580%0.795SS**  trans-110.999.7167.1-1800000107
263Y26.4Very low25.6Very low231 Ų231157.4 Ų157.491%0.90679%0.794SS**  trans-136.6103.2155.3-78.3-75.4000107.2
264T27.4Very low25.5Very low132 Ų132156.6 Ų156.681%0.8179%0.794SS**  trans-82.4128.5169.344.70000109.4
265K25.4Very low25.4Very low212 Ų212156.8 Ų156.892%0.92279%0.793SS**  trans-63.2127.4169.7-85.6175.3168.5175.80111.4
266S28.9Very low25.1Very low100 Ų100155.1 Ų155.170%0.69979%0.785SS**  trans-174.4106.8137.360.50000106.6
267S26.3Very low25.1Very low102 Ų102156.1 Ų156.171%0.71379%0.794SS**  45.2122.2101.875.30000114.3
268E27.1Very low24.9Very low177 Ų177154.8 Ų154.883%0.82779%0.793SS**  trans78.7121.1163.4-58-178168.200116.3
269D24.4Very low25Very low149 Ų149155.3 Ų155.380%0.79780%0.804SS**  trans45.8121.1158.3-66.6-27.1000118.3
270L26.7Very low24.8Very low170 Ų170151.1 Ų151.189%0.8980%0.802SS**  164.8123.4124.9-82.2154.3000109.8
271R21.9Very low25Very low236 Ų236146.7 Ų146.789%0.89180%0.796SS**  trans-45.4132.5169.3-60173.3179.1-162.8-1.6111K273R271-K273 PolarHBondContact O-N 3Å; R271-K273 VanDerWaalsContact O-N 3.09Å
272P27.6Very low25.1Very low134 Ų134149 Ų14987%0.8780%0.799SS**  trans-73.4108.8167.8-10.826.8000109.2
273K24.1Very low25.2Very low190 Ų190148.7 Ų148.783%0.82680%0.799SS**  trans-54137.1167-72.4170174.1172.70110.3R271 I275R271-K273 PolarHBondContact O-N 3Å; R271-K273 VanDerWaalsContact O-N 3.09Å; K273-I275 PolarHBondContact O-N 2.98Å
274T22.1Very low25.3Very low123 Ų123145.5 Ų145.576%0.75580%0.798SS**  trans-46.6119.1161.1-45.90000110.1
275I24.1Very low25.2Very low149 Ų149144.5 Ų144.576%0.76479%0.792SS**  trans-97.8101.5167.3-61.8176.5000106.7K273 V277K273-I275 PolarHBondContact O-N 2.98Å; I275-V277 HydrophobicContact CG2-CG2 4.23Å; I275-V277 PolarHBondContact O-N 3.12Å
276N22.5Very low25.4Very low136 Ų136141.3 Ų141.373%0.72779%0.785SS**  trans-70.5117.5166.6-70.1-26.4000108.2
277V24.4Very low25.4Very low118 Ų118144.1 Ų144.172%0.71579%0.792SS**  trans-97.398.5166.2-179.30000107.2I275 T279I275-V277 HydrophobicContact CG2-CG2 4.23Å; I275-V277 PolarHBondContact O-N 3.12Å; V277-T279 HydrophobicContact CG1-CG2 4.33Å; V277-T279 PolarHBondContact O-N 2.67Å
278T21.1Very low25.4Very low119 Ų119144 Ų14473%0.7380%0.797SS**  trans-77.4106.2171-48.10000108.3T280T278-T280 HydrophobicContact CG2-CG2 4.48Å
279T26Very low25.5Very low121 Ų121143.7 Ų143.774%0.74280%0.795SS**  trans-96.2102.8162.947.40000108.6V277 S281V277-T279 HydrophobicContact CG1-CG2 4.33Å; V277-T279 PolarHBondContact O-N 2.67Å; T279-S281 PolarHBondContact O-N 2.87Å
280T22Very low25.6Very low135 Ų135144.4 Ų144.483%0.82880%0.799SS**  trans-67.4111167.138.70000109.9T278T278-T280 HydrophobicContact CG2-CG2 4.48Å
281S27.6Very low25.6Very low110 Ų110141.5 Ų141.577%0.76979%0.793SS**  trans-136.8123.6158.355.40000108.2T279T279-S281 PolarHBondContact O-N 2.87Å
282L26.2Very low25.7Very low163 Ų163137.5 Ų137.585%0.85379%0.789SS**  trans-51.9150.2-173.1-73144.9000113.4N284L282-N284 PolarHBondContact O-N 3.43Å
283P26.6Very low25.6Very low115 Ų115135.4 Ų135.475%0.74778%0.776SS**  trans-78.7109.8-179.831.6-28.9000109.5
284N28.2Very low25.6Very low164 Ų164127.7 Ų127.788%0.87775%0.746SS**  trans-86.4109.8155.6-81.2-14.1000107.3L282L282-N284 PolarHBondContact O-N 3.43Å
285T27.1Very low26Very low112 Ų112124.2 Ų124.269%0.68773%0.726SS**  trans-62.8150.1163.848.20000109.2
286D28.1Very low26.2Very low144 Ų144120.2 Ų120.277%0.7771%0.709SS**  trans8079.6171.9-45.2-32.9000115.2
287D29.2Very low26.4Very low159 Ų159115.2 Ų115.285%0.8568%0.683SS**  trans-164.791.6141.7-91.9-31.9000110.4H289D287-H289 PolarHBondContact O-N 2.98Å
288A26.5Very low26.6Very low100 Ų100112.3 Ų112.383%0.82666%0.663SS**  trans-77.171.1172.500000110.7
289H30.2Very low26.8Very low170 Ų170109.5 Ų109.579%0.78764%0.643SS**  trans-139.388.9163.7-81.8-68.7000110.2D287 S291D287-H289 PolarHBondContact O-N 2.98Å; H289-S291 VanDerWaalsContact C-N 3.27Å; H289-S291 PolarHBondContact O-N 2.91Å
290N26Very low26.9Very low165 Ų165107 Ų10788%0.88263%0.625SS**  trans-61.687.6167.2-93.8-22.6000110L292N290-L292 PolarHBondContact O-N 3.08Å
291S25.5Very low27.1Very low109 Ų109105.9 Ų105.976%0.76261%0.614SS**  trans-74.793.7166-177.60000109.1H289 C293H289-S291 VanDerWaalsContact C-N 3.27Å; H289-S291 PolarHBondContact O-N 2.91Å; S291-C293 PolarHBondContact O-N 3.01Å
292L25.7Very low27.2Very low151 Ų151107.2 Ų107.279%0.79161%0.606SS**  trans-75.498.5173.3-78.1156.8000109.5N290N290-L292 PolarHBondContact O-N 3.08Å
293C23.9Very low27.1Very low91 Ų91107.4 Ų107.462%0.61561%0.605SS**  trans-106.9136.8174.7-130.70000112.1S291 Y410S291-C293 PolarHBondContact O-N 3.01Å; C293-Y410 PolarHBondContact O-OH 2.83Å
294S23.8Very low27.2Very low28 Ų28108.1 Ų108.120%0.19660%0.602CS.*  trans-79166.7-157.2-48.70000117.1K211 C212K211-S294 WeakPolarHBondContact CB-OG 3.43Å; C212-S294 PolarHBondContact SG-O 3.15Å
295P32.2Very low27Very low49 Ų49105.2 Ų105.232%0.31859%0.594SS.*  trans-104.1127.3175.934.6-27.6000116.2C212C212-P295 WeakPolarHBondContact CB-O 3.22Å; C212-P295 VanDerWaalsContact SG-CA 3.52Å; C212-P295 VanDerWaalsContact SG-N 3.42Å; C212-P295 PolarHBondContact SG-O 3.11Å
296T26.7Very low27.1Very low66 Ų66107.5 Ų107.541%0.40560%0.603SS.*PPolyproline II helixtrans-78.8132.5-163.8-57.40000114.5C212 N417C212-T296 VanDerWaalsContact CB-CA 3.4Å; C212-T296 WeakPolarHBondContact O-CA 2.76Å; C212-T296 WeakPolarHBondContact SG-CA 3.29Å; C212-T296 PolarHBondContact SG-N 3.24Å; C212-T296 PolarHBondContact SG-OG1 2.85Å; T296-N417 PolarHBondContact O-OD1 2.73Å
297V28.3Very low27Very low31 Ų31109.9 Ų109.919%0.18861%0.609CS.*PPolyproline II helixtrans-79.6124.31731770000110.7Y213 I418 V419Y213-V297 HydrophobicContact CD2-CB 4.28Å; Y213-V297 HydrophobicContact CD2-CG2 4.34Å; Y213-V297 HydrophobicContact CE2-CB 3.57Å; Y213-V297 HydrophobicContact CE2-CG1 3.91Å; Y213-V297 HydrophobicContact CE2-CG2 3.86Å; Y213-V297 WeakPolarHBondContact OH-CG1 3.21Å; V297-I418 WeakPolarHBondContact CG1-O 3.25Å; V297-I418 WeakPolarHBondContact CG2-O 3.41Å; V297-V419 HydrophobicContact CG1-CB 4.34Å; V297-V419 HydrophobicContact CG1-CG1 4.38Å; V297-V419 HydrophobicContact CG1-CG2 4.15Å
298I27Very low26.8Very low57 Ų57113.4 Ų113.429%0.29261%0.61SS.*PPolyproline II helixtrans-95.5125.3176.5-60.1174.1000109.4V419I298-V419 WeakPolarHBondContact O-CG1 3.48Å; I298-V419 WeakPolarHBondContact O-CG2 3.22Å
299N25.2Very low26.6Very low59 Ų59114.1 Ų114.132%0.31661%0.607SS.*PPolyproline II helixtrans-78.3121.9176.2-1541.3000109.7Y424N299-Y424 WeakPolarHBondContact ND2-CE2 3.32Å
300L29.2Very low26.3Very low70 Ų70112.1 Ų112.137%0.36661%0.607SS.*  trans-117.697173.6-73.4174.1000109.3F302 I405L300-F302 HydrophobicContact CB-CE2 4.27Å; L300-F302 PolarHBondContact O-N 3.5Å; L300-I405 HydrophobicContact CD2-CD1 4.21Å
301N25.6Very low26.1Very low110 Ų110110.8 Ų110.859%0.58860%0.598SS**  trans-71115.4162.8-77-8.3000108.6
302F29.8Very low26.1Very low138 Ų138111.3 Ų111.361%0.60560%0.597SS**  trans-93.5106.5159-77.6-79.7000108L300 N304L300-F302 HydrophobicContact CB-CE2 4.27Å; L300-F302 PolarHBondContact O-N 3.5Å; F302-N304 PolarHBondContact O-N 3.36Å
303M24.9Very low26Very low168 Ų168109.1 Ų109.183%0.82859%0.589SS**  trans-62.2123.3170.3-60.7-173.783.800108.9S305M303-S305 PolarHBondContact O-N 2.84Å
304N27.6Very low26Very low129 Ų129112.3 Ų112.369%0.6960%0.6SS**  trans-73.9101.5152.3-84.8-18.6000107.1F302 D306F302-N304 PolarHBondContact O-N 3.36Å; N304-D306 PolarHBondContact O-N 2.97Å
305S25.5Very low26.1Very low103 Ų103117.3 Ų117.372%0.7263%0.63SS**THydrogen-bonded Turntrans-72.597.8153.655.60000106.9M303M303-S305 PolarHBondContact O-N 2.84Å
306D27.7Very low25.8Very low161 Ų161124.4 Ų124.486%0.86166%0.656SS**THydrogen-bonded Turntrans-163.87154.7-92.1-22.4000114.8N304N304-D306 PolarHBondContact O-N 2.97Å
307E27.4Very low25.8Very low194 Ų194126.9 Ų126.991%0.90767%0.673SS**  trans-105.7103.7165.6-73.2-171.8167.700110.9
308R23.5Very low25.8Very low232 Ų232129.6 Ų129.688%0.87569%0.694SS**  trans-56.8132.4168-99.5-179170-164.5-2.1109.3T310R308-T310 PolarHBondContact O-N 3.16Å; R308-T310 VanDerWaalsContact O-N 3.12Å
309P23.4Very low26Very low115 Ų115134.5 Ų134.575%0.74772%0.72SS**  trans-64.5117.9171.426.5-30.2000108.4I311P309-I311 PolarHBondContact O-N 3.47Å
310T23.7Very low26.2Very low129 Ų129138.5 Ų138.579%0.79174%0.742SS**  trans-78.9102.2167.8-48.90000106.8R308 V312R308-T310 PolarHBondContact O-N 3.16Å; R308-T310 VanDerWaalsContact O-N 3.12Å; T310-V312 PolarHBondContact O-N 3.09Å
311I22.7Very low26.3Very low136 Ų136144.6 Ų144.670%0.69777%0.765SS**  trans-66.4112.1170.1-62.9170.7000107.2P309 T313P309-I311 PolarHBondContact O-N 3.47Å; I311-T313 HydrophobicContact CG2-CG2 3.7Å
312V24.5Very low26.5Very low121 Ų121144.6 Ų144.673%0.73377%0.774SS**  trans-103.695.4159-177.20000107T310T310-V312 PolarHBondContact O-N 3.09Å
313T22.8Very low26.5Very low104 Ų104141.7 Ų141.764%0.63878%0.783SS**  trans-70123.7163.3480000108.5I311I311-T313 HydrophobicContact CG2-CG2 3.7Å
314N25.3Very low26.6Very low158 Ų158139.3 Ų139.385%0.84578%0.783SS**  trans-124.3111.9153-96-14.1000109.1
315T26.4Very low26.7Very low133 Ų133138.7 Ų138.782%0.81679%0.789SS**  trans-73147.5177.139.70000112.2
316K25.4Very low26.7Very low199 Ų199145.4 Ų145.487%0.86580%0.798SS**  trans-60.5168.2177.5-73.1-179.1170.71800114.8
317P27.2Very low26.6Very low117 Ų117146.7 Ų146.776%0.7680%0.801SS**  -135.5130.295.915.17.4000113.1
318S26.6Very low26.5Very low89 Ų89142.9 Ų142.962%0.62280%0.796SS**  50.4114.910368.60000115.5
319D32.8Very low26.7Very low160 Ų160139.5 Ų139.586%0.85679%0.794SS**  -165.6132.7124.4-87.5-19.8000110.9
320D28Very low26.7Very low143 Ų143145.3 Ų145.377%0.76580%0.801SS**  trans-70.1147.7-178-65.9-54000112.5
321F31.9Very low27Very low197 Ų197145.7 Ų145.786%0.86480%0.803SS**  174.1142.4106.1-108.4-91.1000112.1
322S29.1Very low27.1Very low110 Ų110144.2 Ų144.277%0.76981%0.805SS**  trans-67.9154.4-179.650.40000114.1
323G30.2Very low27.4Very low77 Ų77145.6 Ų145.679%0.79481%0.813SS**  trans167.890.9167.200000115.2
324S26.8Very low27.7Very low119 Ų119151.8 Ų151.883%0.83283%0.825SS**  trans-55.1133.3170.3-1770000113.3
325S29.9Very low27.8Very low115 Ų115155.9 Ų155.980%0.80483%0.828SS**  174.4136126.4-80.30000113.6
326R24.8Very low28.1Very low244 Ų244155.6 Ų155.692%0.92183%0.829SS**  trans-58.4141172.2-73.3169.6161.7163.1-5.6112.4
327M27.2Very low28.4Very low188 Ų188153.1 Ų153.193%0.92683%0.831SS**  trans-161130.5136.4-114.7-179.3168.900112
328S24.9Very low28.4Very low115 Ų115159.2 Ų159.280%0.80484%0.839SS**  trans-75.6138.7175.650.30000112.1
329I27.3Very low28.7Very low160 Ų160160.2 Ų160.282%0.82185%0.845SS**  trans-134124.1156.3-60.2-178.6000109.6
330R22.9Very low28.9Very low238 Ų238157.1 Ų157.190%0.89884%0.836SS**  trans-99.7130.4172.9-165.4-173.1-162.5-176.95.5106.5
331T29.6Very low29.2Very low137 Ų137156.6 Ų156.684%0.8484%0.839SS**  trans-139.9115.9161.528.90000110.7
332S25.2Very low29.6Very low104 Ų104152.7 Ų152.773%0.72783%0.833SS**  trans-88.2140.3171.552.70000110.5
333V31.6Very low29.8Very low150 Ų150153.7 Ų153.791%0.90983%0.834SS**  trans-144.9138.8148.9-173.60000110.9
334R27.7Very low29.7Very low235 Ų235154.4 Ų154.489%0.88783%0.826SS**  trans-80156.4-165-65.4167.5169-178.8-4.3114.7
335R27.5Very low30Very low243 Ų243156.5 Ų156.592%0.91783%0.828SS**  trans-77.1157159-80.2-178173.5-176.7-1.9111.8
336P32.8Very low30.1Very low127 Ų127153.8 Ų153.883%0.82582%0.818SS**  trans-127.7169.9141.421.5-1000114.2
337T32.2Very low30.5Very low148 Ų148150.7 Ų150.791%0.90881%0.814SS**  trans-95.4167.6-154.836.20000116.9
338R28.2Very low30.6Very low245 Ų245145.1 Ų145.193%0.92579%0.793SS**  trans-68.5144.1-177.2-169.4-174.5-171-160.43.1115.9
339S32.9Very low31Very low109 Ų109149.3 Ų149.376%0.76279%0.793SS**  trans164.6152.9143690000108.3
340S35.6Very low31.1Very low95 Ų95147.8 Ų147.866%0.66478%0.782SS**  cis-174.1123.2-17.739.60000106.7
341T35.7Very low31.5Very low133 Ų133145.5 Ų145.582%0.81677%0.774SS**  trans62167.5145.861.80000119.8
342P39.4Very low31.6Very low114 Ų114146 Ų14674%0.7477%0.767SS**  -133.1-151-96.232.5-6.2000111.7
343V34.2Very low31.9Very low131 Ų131145.7 Ų145.779%0.79476%0.764SS**  trans104.4138.6173.6-178.40000112.6
344C28.2Very low31.8Very low93 Ų93143.1 Ų143.163%0.62875%0.753SS**  cis-172.2151.7-28.9-1000000104.7
345N32.6Very low32.1Very low162 Ų162139.4 Ų139.487%0.86675%0.749SS**  trans61138.1152.1-57.4-11000117.6
346G31.4Very low32.3Very low58 Ų58132.5 Ų132.560%0.59874%0.738SS**  cis166.2174.19.500000108.1
347H34.3Very low32.5Very low179 Ų179131.3 Ų131.383%0.82973%0.733SS**  trans74.2105.4164.5-61.9-69.7000116.8
348S29.5Very low32.7Very low72 Ų72131.9 Ų131.950%0.50373%0.73SS.*  94.1145.958.164.90000113.2
349Y32.5Very low32.9Very low203 Ų203123.7 Ų123.780%0.79672%0.722SS**  trans83.5138.8170.7-48.6-70.5000115.8
350E30.1Very low32.6Very low128 Ų128130 Ų13060%0.59873%0.729SS**  cis-179.2149.5-18.9-123.9-165.4136.800103.7
351R29.7Very low32.2Very low190 Ų190129.1 Ų129.172%0.71773%0.727SS**  trans63147.7152.1-76.6179.2-147.2-148.43.6117.9
352E32.9Very low31.9Very low148 Ų148130.6 Ų130.669%0.69273%0.73SS**  cis-162.614325.9-128.9155.1-151.500109.1
353S30.1Very low31.4Very low97 Ų97135.9 Ų135.968%0.67874%0.737SS**  trans19.8137.2139.469.10000119.2
354S31.1Very low31Very low95 Ų95137.3 Ų137.366%0.66474%0.739SS**  168.416466.848.70000111.4
355I33.7Very low30.9Very low157 Ų157141.2 Ų141.281%0.80575%0.745SS**  trans87.695158.9-50.2164.5000114.8
356S30.3Very low30.5Very low98 Ų98139.1 Ų139.169%0.68573%0.734SS**  89.1111.462.4171.70000113.9
357S37.7Very low30.3Very low102 Ų102143.1 Ų143.171%0.71374%0.742SS**  -171.9117.6115.836.30000112.3
358N36.9Very low30.2Very low160 Ų160143.3 Ų143.386%0.85674%0.743SS**  trans56.4129.2133.7-53.1-20.1000120
359G32.2Very low30.1Very low73 Ų73151.6 Ų151.675%0.75377%0.765SS**  cis167.1135.33.300000111.2
360R27.1Very low29.9Very low243 Ų243145.3 Ų145.392%0.91776%0.762SS**  trans23.4120.9145-89.1174.7166.4152.2-3.9119.1
361A26.2Very low29.6Very low75 Ų75150.3 Ų150.362%0.6278%0.775SS**  74.3127.584.700000113.9
362N30.8Very low29.5Very low164 Ų164146.6 Ų146.688%0.87779%0.786SS**  175.5137.4126.9-84-28.4000112.9
363Y27.6Very low29.1Very low225 Ų225143 Ų14388%0.88278%0.776SS**  trans-55.5154.3158.4-84.9-108.8000111.8
364L26.5Very low29Very low162 Ų162148.9 Ų148.985%0.84879%0.785SS**  trans159.6108.4146.6-85.1153.2000107.3
365K25.4Very low28.8Very low174 Ų174151.3 Ų151.376%0.75779%0.789SS**  61.3129.789.1-99.8-164.7178.3-167.90115.4
366D25.2Very low28.3Very low118 Ų118154.2 Ų154.263%0.63179%0.79SS**  trans95.8128.1145.1-61.8-17.8000120.2
367D27.1Very low28.2Very low142 Ų142156 Ų15676%0.75979%0.792SS**  trans75.2134.2146.3-50-23.6000117.9
368Q32Very low27.7Very low183 Ų183156.2 Ų156.286%0.85579%0.785SS**  cis-157.6135.444.9-76.3177.4-13.600113
369Y27.7Very low27.2Very low247 Ų247156.2 Ų156.297%0.96978%0.78SS**  trans-57.1137.4148-104.5-103.6000110.5
370G26.9Very low27Very low70 Ų70158.7 Ų158.772%0.72279%0.786SS**  trans172.584.5169.400000111.9
371R24.1Very low27.1Very low233 Ų233150.5 Ų150.588%0.87978%0.777SS**  64.397.789.8-155.7-177.7-158.5167.16.7113.2
372A28.8Very low27Very low113 Ų113158.7 Ų158.793%0.93479%0.792SS**  trans-125.388.3148.900000108.5
373S24.1Very low26.7Very low71 Ų71156 Ų15650%0.49779%0.786SS.*  trans-87.2132.8163.444.80000109.4
374Y26.8Very low26.6Very low222 Ų222150.6 Ų150.687%0.87178%0.781SS**  trans-178140.6145.4-79.2-59.8000106.5
375I27.8Very low26.4Very low145 Ų145153.6 Ų153.674%0.74478%0.783SS**  cis-161.9145.9-0.7-102.6157.4000105.7
376R23.4Very low26.4Very low219 Ų219153.3 Ų153.383%0.82679%0.786SS**  trans-73170.5171.9-70.2178.3-179.1165.40.2112.1
377N27.2Very low26.4Very low134 Ų134155.7 Ų155.772%0.71779%0.791SS**  trans110.3137.6152.8-62.93.8000112.2
378D27.3Very low26.3Very low108 Ų108155.5 Ų155.558%0.57879%0.79SS**  cis-168.5147.3-9.8-111.5-40000105
379Q26.6Very low26Very low159 Ų159154.6 Ų154.674%0.74379%0.786SS**  trans54.8127.8136.4-59.8168.728.600121
380S28.2Very low25.9Very low125 Ų125150.1 Ų150.187%0.87477%0.773SS**  trans107.7137.1133.180.40000118.3
381G29.6Very low25.9Very low72 Ų72156.6 Ų156.674%0.74278%0.778SS**  trans97.873.9156.100000115.4
382R24.4Very low25.8Very low246 Ų246150.5 Ų150.593%0.92877%0.771SS**  48.6109.393.2-117-176.2-174.8170.81.2115.2
383S23.7Very low25.7Very low107 Ų107149.9 Ų149.975%0.74876%0.759SS**  56.4118.6129.3-176.40000119.5
384S26.4Very low25.7Very low112 Ų112152.7 Ų152.778%0.78377%0.774SS**  167.3144.6101.552.60000112.6
385Y21.8Very low25.8Very low226 Ų226149.9 Ų149.989%0.88677%0.773SS**  trans-60.4147.4167.4-91.6-109000112.7
386M25.3Very low25.6Very low167 Ų167154.2 Ų154.282%0.82378%0.78SS**  170.2116.9126-91.9-165.6-172.600109.9
387K25.3Very low25.6Very low169 Ų169147.2 Ų147.274%0.73578%0.776SS**  70.7110.4104.7-74.5-167.5171.8-175.20113.9
388D25.6Very low25.6Very low137 Ų137146.2 Ų146.273%0.73378%0.78SS**  68.7127.4105.9-60.7-32.2000110.2
389E25.5Very low25.5Very low165 Ų165144.2 Ų144.277%0.77177%0.774SS**  cis-178.9173.440.1-139.8173.7-153.100107.1
390Q25.7Very low25.5Very low152 Ų152141.8 Ų141.871%0.7177%0.77SS**  trans97.4128.4149-80.8-172.512.300123.5
391Y26.3Very low25.5Very low207 Ų207140.2 Ų140.281%0.81276%0.759SS**  trans95.7103.5148.2-83.8-76.1000122.1
392S23Very low25.5Very low105 Ų105140.1 Ų140.173%0.73476%0.757SS**  trans-55.7140.6161.8137.10000114
393S25.5Very low25.6Very low99 Ų99138 Ų13869%0.69276%0.755SS**  177.6122.5108.759.10000113.5
394T23.9Very low25.7Very low131 Ų131136.1 Ų136.180%0.80475%0.752SS**  trans60.2105.3137.1-36.10000119.8
395L28.5Very low25.8Very low162 Ų162134.9 Ų134.985%0.84874%0.736SS**  trans-159.3109140.8-100.1168.6000111.5
396R24.9Very low26Very low236 Ų236133.3 Ų133.389%0.89174%0.737SS**  trans25.9117.6145.9-67.1176.3-176.3-130.3-1.2120.4
397G23.7Very low26.2Very low72 Ų72131.2 Ų131.274%0.74272%0.721SS**  82.796.6127.500000117.4
398S27Very low26.3Very low114 Ų114126.8 Ų126.880%0.79771%0.71SS**  trans-174123.6143.6-77.80000109.4
399S23.9Very low26.4Very low65 Ų65124.4 Ų124.446%0.45571%0.705SS.*  trans-69.9140.8179.8440000112.5D256D256-S399 WeakPolarHBondContact OD1-CB 2.75Å; D256-S399 PolarHBondContact OD1-OG 3.5Å; D256-S399 WeakPolarHBondContact OD2-CB 3.12Å; D256-S399 PolarHBondContact OD2-OG 3.37Å
400V28.4Very low26.7Very low109 Ų109120.3 Ų120.366%0.66168%0.682SS**  trans-135.6102.3173.5-175.80000108.3H258H258-V400 PolarHBondContact CE1-N 2.92Å; H258-V400 PolarHBondContact ND1-O 3.09Å; H258-V400 VanDerWaalsContact ND1-O 3.1Å
401S27.2Very low27Very low92 Ų92114.3 Ų114.364%0.64366%0.657SS**  trans-84.911618052.60000111.2
402G28.7Very low27.5Very low69 Ų69112.6 Ų112.671%0.71165%0.654SS**  trans-89.9111.8174.200000111G404G402-G404 PolarHBondContact O-N 3.04Å; G402-G404 VanDerWaalsContact O-N 3.11Å
403K27.2Very low28.1Very low202 Ų202115.3 Ų115.388%0.87866%0.655SS**  trans-77.290.6172.2-69.7-179178.2178.50109.9
404G26.1Very low28.6Very low67 Ų67117.4 Ų117.469%0.69165%0.647SS**  trans-85.5132.216800000111.4G402 Q406G402-G404 PolarHBondContact O-N 3.04Å; G402-G404 VanDerWaalsContact O-N 3.11Å; G404-Q406 PolarHBondContact O-N 3.25Å
405I29.3Very low29.3Very low87 Ų87112.2 Ų112.245%0.44662%0.62SS.*  trans-68.7115.6173.8-60.9170.4000108.6L300 Y407L300-I405 HydrophobicContact CD2-CD1 4.21Å; I405-Y407 HydrophobicContact CB-CE2 4.29Å; I405-Y407 HydrophobicContact CG2-CD1 4.1Å; I405-Y407 HydrophobicContact CG2-CD2 4.44Å; I405-Y407 HydrophobicContact CG2-CE1 3.71Å; I405-Y407 HydrophobicContact CG2-CE2 4.08Å; I405-Y407 HydrophobicContact CG2-CG 4.45Å
406Q25.2Very low30Very low192 Ų192109.5 Ų109.590%0.89760%0.603SS**PPolyproline II helixtrans-82.7116.5167.5-78.1-170.7-23.100109.7G404G404-Q406 PolarHBondContact O-N 3.25Å
407Y29.9Very low31.4Very low123 Ų12399.5 Ų99.548%0.48257%0.567SS.*PPolyproline II helixtrans-89.2136.2174.4-57.6-82.8000110.2I405I405-Y407 HydrophobicContact CB-CE2 4.29Å; I405-Y407 HydrophobicContact CG2-CD1 4.1Å; I405-Y407 HydrophobicContact CG2-CD2 4.44Å; I405-Y407 HydrophobicContact CG2-CE1 3.71Å; I405-Y407 HydrophobicContact CG2-CE2 4.08Å; I405-Y407 HydrophobicContact CG2-CG 4.45Å
408C26.8Very low32.8Very low77 Ų7797.2 Ų97.252%0.5254%0.538SS..PPolyproline II helixtrans-61.4139.9160172.20000109.3Y410 C411 K412C408-Y410 PolarHBondContact O-N 3.04Å; C408-C411 PolarHBondContact O-N 3.3Å; C408-K412 PolarHBondContact O-N 2.63Å
409S28.4Very low34.2Very low87 Ų8792.5 Ų92.561%0.60850%0.504SS*.Hα-helixtrans-51.3-31.4179530000112.9Q413S409-Q413 WeakPolarHBondContact O-CG 3.34Å
410Y30.3Very low35.6Very low78 Ų7890 Ų9031%0.30649%0.486SS..Hα-helixtrans-69.5-42.8176.6-170.5-107.4000113.6C293 C408 K412 Q413 R414C293-Y410 PolarHBondContact O-OH 2.83Å; C408-Y410 PolarHBondContact O-N 3.04Å; Y410-K412 VanDerWaalsContact C-N 3.29Å; Y410-K412 PolarHBondContact O-N 2.9Å; Y410-Q413 PolarHBondContact O-N 3.13Å; Y410-R414 PolarHBondContact OH-NH1 3.27Å
411C33.3Very low36.7Very low26 Ų2687 Ų8718%0.17646%0.464CS..Hα-helixtrans-69.2-29178.5-63.10000112.3C408 Q413C408-C411 PolarHBondContact O-N 3.3Å; C411-Q413 VanDerWaalsContact C-N 3.26Å; C411-Q413 PolarHBondContact O-N 3Å
412K35.7Very low37.4Very low172 Ų17283.7 Ų83.775%0.74844%0.438SS*.Hα-helixtrans-67.2-25.3176.3-157.9175.9-177.1-179.50112.8C408 Y410C408-K412 PolarHBondContact O-N 2.63Å; Y410-K412 VanDerWaalsContact C-N 3.29Å; Y410-K412 PolarHBondContact O-N 2.9Å
413Q35.4Very low37.8Very low162 Ų16282.7 Ų82.776%0.75742%0.416SS*.Hα-helixtrans-93.4-17.7-174.6-70.9176.91000114.7S409 Y410 C411S409-Q413 WeakPolarHBondContact O-CG 3.34Å; Y410-Q413 PolarHBondContact O-N 3.13Å; C411-Q413 VanDerWaalsContact C-N 3.26Å; C411-Q413 PolarHBondContact O-N 3Å
414R37Very low37.8Very low142 Ų14278.3 Ų78.354%0.53640%0.395SS..Hα-helixtrans-119.4-2.4-169.8-70-171168.8-168.9-3.2116.8Y410 H416Y410-R414 PolarHBondContact OH-NH1 3.27Å; R414-H416 VanDerWaalsContact C-N 3.33Å; R414-H416 PolarHBondContact O-CD2 3.05Å; R414-H416 PolarHBondContact O-N 3.16Å
415G39.3Very low37.9Very low22 Ų2283.9 Ų83.923%0.22740%0.395CS..  trans61.915.8152.400000119.7S66S66-G415 WeakPolarHBondContact CA-O 3.23Å; S66-G415 WeakPolarHBondContact CB-O 3.38Å; S66-G415 PolarHBondContact OG-O 2.64Å
416H43.3Very low37.9Very low106 Ų10685.7 Ų85.749%0.49141%0.405SS..EExtended strand (participates in β ladder)trans-138.6114.4179.9-61.5-63.7000112.2R414R414-H416 VanDerWaalsContact C-N 3.33Å; R414-H416 PolarHBondContact O-CD2 3.05Å; R414-H416 PolarHBondContact O-N 3.16Å
417N53.5Low37.9Very low25 Ų2584 Ų8413%0.13440%0.401CS..EExtended strand (participates in β ladder)trans-136.1121.3170.4-62.5-41.6000109.6M65 T296M65-N417 PolarHBondContact N-O 3.4Å; M65-N417 PolarHBondContact O-N 2.96Å; T296-N417 PolarHBondContact O-OD1 2.73Å
418I52.6Low37.9Very low25 Ų2585.8 Ų85.813%0.12841%0.414CS..EExtended strand (participates in β ladder)trans-96.6126.9165.9-62.1168.4000107.8F63 K64 E76 T80 V297F63-I418 CarbonylContact O-C 3.46Å; F63-I418 WeakPolarHBondContact O-CA 3.38Å; F63-I418 WeakPolarHBondContact O-CG2 3.13Å; K64-I418 HydrophobicContact CB-CG1 3.91Å; K64-I418 HydrophobicContact CD-CD1 4.03Å; K64-I418 HydrophobicContact CD-CG1 3.54Å; K64-I418 HydrophobicContact CG-CG1 3.52Å; E76-I418 HydrophobicContact CG-CD1 3.63Å; E76-I418 WeakPolarHBondContact OE1-CD1 3.35Å; T80-I418 HydrophobicContact CG2-CG2 3.83Å; V297-I418 WeakPolarHBondContact CG1-O 3.25Å; V297-I418 WeakPolarHBondContact CG2-O 3.41Å
419V56.1Low37.8Very low14 Ų1494.4 Ų94.49%0.08545%0.446CS..EExtended strand (participates in β ladder)trans-112.5130.2176.7-170.80000108.3F63 V297 I298F63-V419 HydrophobicContact CD1-CB 4.23Å; F63-V419 HydrophobicContact CD1-CG2 4.3Å; F63-V419 PolarHBondContact N-O 2.92Å; F63-V419 PolarHBondContact O-N 3.23Å; V297-V419 HydrophobicContact CG1-CB 4.34Å; V297-V419 HydrophobicContact CG1-CG1 4.38Å; V297-V419 HydrophobicContact CG1-CG2 4.15Å; I298-V419 WeakPolarHBondContact O-CG1 3.48Å; I298-V419 WeakPolarHBondContact O-CG2 3.22Å
420I53.5Low38.3Very low14 Ų1494.8 Ų94.87%0.07244%0.438CS..EExtended strand (participates in β ladder)trans-98.2141.1167.4-48.3175000106.9T80 E84 H100 R422T80-I420 HydrophobicContact CG2-CD1 3.36Å; T80-I420 HydrophobicContact CG2-CG1 3.42Å; T80-I420 VanDerWaalsContact CG2-CG1 3.42Å; T80-I420 WeakPolarHBondContact O-CD1 3.24Å; E84-I420 HydrophobicContact CG-CD1 4.34Å; H100-I420 WeakPolarHBondContact CE1-CG2 3.41Å; H100-I420 VanDerWaalsContact ND1-CG2 3.26Å; H100-I420 WeakPolarHBondContact ND1-CG2 3.02Å; I420-R422 PolarHBondContact O-N 3.46Å
421E51.8Low38.7Very low45 Ų4595.6 Ų95.621%0.2145%0.445CS..  trans-55.9128.9171.6-174.1-174.616700110L49 H51 H100L49-E421 HydrophobicContact CD2-CB 4.08Å; H51-E421 IonicContact CD2-OE1 3.61Å; H51-E421 IonicContact CD2-OE2 2.79Å; H51-E421 PolarHBondContact CD2-OE2 3.12Å; H51-E421 IonicContact NE2-OE2 3.9Å; H100-E421 PolarHBondContact CE1-O 2.89Å
422R42.7Very low39Very low23 Ų2399.5 Ų99.59%0.08746%0.46CS..  trans-117103.2170.1-70.6-172.9174.4-166.2-5.8109.1Y213 I420 Y424Y213-R422 PolarHBondContact OH-NE 3.18Å; Y213-R422 PolarHBondContact OH-NH2 3.08Å; I420-R422 PolarHBondContact O-N 3.46Å; R422-Y424 HydrophobicContact CB-CD2 3.82Å; R422-Y424 HydrophobicContact CB-CE2 3.7Å; R422-Y424 HydrophobicContact CG-CE2 4.4Å; R422-Y424 PolarHBondContact O-N 2.99Å
423D35.8Very low39.2Very low47 Ų4795.2 Ų95.225%0.25144%0.443SS..  trans-74.677.9175.6-150.89000108.5R99 R425R99-D423 IonicContact CZ-OD2 3.76Å; R99-D423 IonicContact NH1-OD2 3.41Å; R99-D423 PolarHBondContact NH1-OD2 3.26Å; D423-R425 PolarHBondContact O-N 2.93Å; D423-R425 IonicContact OD2-CZ 2.85Å; D423-R425 IonicContact OD2-NE 3.99Å; D423-R425 IonicContact OD2-NH2 3.9Å; D423-R425 PolarHBondContact OD2-NH2 2.94Å
424Y27.7Very low39.4Very low111 Ų11191.1 Ų91.144%0.43542%0.423SS..  trans-75.777.8168.7-77.4-88.2000108.3N299 R422 N426N299-Y424 WeakPolarHBondContact ND2-CE2 3.32Å; R422-Y424 HydrophobicContact CB-CD2 3.82Å; R422-Y424 HydrophobicContact CB-CE2 3.7Å; R422-Y424 HydrophobicContact CG-CE2 4.4Å; R422-Y424 PolarHBondContact O-N 2.99Å; Y424-N426 PolarHBondContact O-N 3.12Å
425R27.6Very low39.6Very low183 Ų18387.7 Ų87.769%0.69142%0.416SS*.  trans-70.1120.3155.8-69.7-173.6-130.4-177.82.7106.8D423 I427D423-R425 PolarHBondContact O-N 2.93Å; D423-R425 IonicContact OD2-CZ 2.85Å; D423-R425 IonicContact OD2-NE 3.99Å; D423-R425 IonicContact OD2-NH2 3.9Å; D423-R425 PolarHBondContact OD2-NH2 2.94Å; R425-I427 PolarHBondContact O-N 3.29Å; R425-I427 VanDerWaalsContact O-N 3.09Å
426N29.7Very low39.6Very low125 Ų12592.4 Ų92.467%0.66843%0.429SS*.  trans-40.5115.8177.6-74.5-7.3000110.8Y424 E428Y424-N426 PolarHBondContact O-N 3.12Å; N426-E428 HydrophobicContact CB-CG 4.16Å; N426-E428 PolarHBondContact ND2-OE1 3.2Å; N426-E428 VanDerWaalsContact ND2-OE1 3.12Å; N426-E428 PolarHBondContact O-N 3.24Å; N426-E428 VanDerWaalsContact O-N 3.16Å
427I26.3Very low39.3Very low156 Ų15691.3 Ų91.380%0.843%0.425SS*.  trans-76.185.5151-60168.9000103.7R425R425-I427 PolarHBondContact O-N 3.29Å; R425-I427 VanDerWaalsContact O-N 3.09Å
428E28.2Very low38.1Very low162 Ų16296.8 Ų96.876%0.75745%0.449SS*.  trans-86.1107158.1-84.3170.6-152.100105.9N426N426-E428 HydrophobicContact CB-CG 4.16Å; N426-E428 PolarHBondContact ND2-OE1 3.2Å; N426-E428 VanDerWaalsContact ND2-OE1 3.12Å; N426-E428 PolarHBondContact O-N 3.24Å; N426-E428 VanDerWaalsContact O-N 3.16Å
429E25.6Very low36.8Very low257 Ų257103.4 Ų103.4100%1.20148%0.478SS*.  trans-82.50151.8-86.9-171.7164.400109.6

Retrieved 429 of 429 residues in 91.6 ms (Link to these results)

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