A0A087XS53_POEFO Loading...

MINDY family member 4B

AlphaFold DB , UniProt , Accession A0A087XS53, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 388 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
1A35.8Very low72.5Confident135 Ų13576.5 Ų76.5100%1.11647%0.469SS*.  0145.7000000107.9C3A1-C3 PolarHBondContact O-N 2.8Å
2P50.5Low73.6Confident99 Ų9975.6 Ų75.664%0.64347%0.468SS*.  trans-55.2128.4162.226.5-29.8000106.4S4P2-S4 VanDerWaalsContact C-N 3.32Å; P2-S4 PolarHBondContact O-N 3.3Å
3C57.4Low73.9Confident50 Ų5077.6 Ų77.634%0.33848%0.483SS..  trans-57.897.6179.1-76.20000108.4A1 H183A1-C3 PolarHBondContact O-N 2.8Å; C3-H183 PolarHBondContact O-NE2 2.8Å
4S69.1Low74.6Confident102 Ų10279.7 Ų79.771%0.71350%0.502SS*.PPolyproline II helixtrans-70.2131172.851.80000108.1P2P2-S4 VanDerWaalsContact C-N 3.32Å; P2-S4 PolarHBondContact O-N 3.3Å
5I77.3Confident75.6Confident29 Ų2978.8 Ų78.815%0.14949%0.491CS..PPolyproline II helixtrans-58131.5176.4-56.9163.8000108.8R7 L9 V10 V134 F151I5-R7 PolarHBondContact O-N 3.3Å; I5-L9 HydrophobicContact CG2-CB 3.92Å; I5-V10 HydrophobicContact CG2-CG2 4.26Å; I5-V134 HydrophobicContact CD1-CB 3.8Å; I5-V134 HydrophobicContact CD1-CG1 3.48Å; I5-V134 VanDerWaalsContact CD1-CG1 3.48Å; I5-V134 HydrophobicContact CD1-CG2 3.65Å; I5-F151 HydrophobicContact CD1-CD2 3.58Å; I5-F151 HydrophobicContact CD1-CE2 3.59Å; I5-F151 HydrophobicContact CG1-CD2 4.13Å; I5-F151 HydrophobicContact CG1-CE2 4.15Å
6P82.8Confident76.5Confident46 Ų4675.9 Ų75.930%0.29948%0.482SS..PPolyproline II helixtrans-53.9134.2173.1-24.531000111.8S8 L9 G181P6-S8 PolarHBondContact O-N 3.05Å; P6-L9 HydrophobicContact CB-CD1 4.12Å; P6-L9 HydrophobicContact CB-CG 4.14Å; P6-L9 HydrophobicContact CG-CD1 3.88Å; P6-L9 HydrophobicContact CG-CG 4.45Å; P6-L9 WeakPolarHBondContact O-CB 3.4Å; P6-L9 PolarHBondContact O-N 3.25Å; P6-G181 WeakPolarHBondContact CD-O 3.5Å
7R79.1Confident77.5Confident212 Ų21273.6 Ų73.680%0.848%0.476SS*.G310 helixtrans-54.4-30.8-179.1-73.9-175.1174173.2-2.6113.6I5 L9 V10I5-R7 PolarHBondContact O-N 3.3Å; R7-L9 PolarHBondContact O-N 3.22Å; R7-V10 PolarHBondContact O-N 2.88Å
8S80.2Confident78.5Confident106 Ų10674.8 Ų74.874%0.74148%0.482SS*.G310 helixtrans-65.9-15.1177560000114.2P6P6-S8 PolarHBondContact O-N 3.05Å
9L87.6Confident79.4Confident13 Ų1374.3 Ų74.37%0.06848%0.479CS..G310 helixtrans-104.60.5-178.7-53.1-179000112.3I5 P6 R7 Q175 A179I5-L9 HydrophobicContact CG2-CB 3.92Å; P6-L9 HydrophobicContact CB-CD1 4.12Å; P6-L9 HydrophobicContact CB-CG 4.14Å; P6-L9 HydrophobicContact CG-CD1 3.88Å; P6-L9 HydrophobicContact CG-CG 4.45Å; P6-L9 WeakPolarHBondContact O-CB 3.4Å; P6-L9 PolarHBondContact O-N 3.25Å; R7-L9 PolarHBondContact O-N 3.22Å; L9-Q175 HydrophobicContact CD2-CB 3.8Å; L9-A179 HydrophobicContact CD1-CB 3.78Å; L9-A179 HydrophobicContact CD2-CB 3.86Å; L9-A179 HydrophobicContact CG-CB 4.47Å
10V88.1Confident80.2Confident37 Ų3770.8 Ų70.822%0.22446%0.456CS..SBendtrans-90130.8175.6-1800000108.5I5 R7 V134 E136I5-V10 HydrophobicContact CG2-CG2 4.26Å; R7-V10 PolarHBondContact O-N 2.88Å; V10-V134 WeakPolarHBondContact CA-O 3.49Å; V10-E136 HydrophobicContact CG1-CB 3.89Å
11I90.1Very high80.8Confident13 Ų1370.4 Ų70.47%0.06745%0.452CS..PPolyproline II helixtrans-77.5148-179.456.1157.5000111.9L15 L133 V134 Q156 F158I11-L15 HydrophobicContact CB-CD2 3.78Å; I11-L15 HydrophobicContact CD1-CD2 3.99Å; I11-L15 HydrophobicContact CG2-CD2 3.63Å; I11-L133 HydrophobicContact CD1-CB 4.14Å; I11-L133 HydrophobicContact CG1-CB 4.34Å; I11-L133 HydrophobicContact CG2-CB 3.93Å; I11-L133 HydrophobicContact CG2-CD1 3.63Å; I11-L133 HydrophobicContact CG2-CG 4.4Å; I11-V134 VanDerWaalsContact CG1-O 3.26Å; I11-V134 WeakPolarHBondContact CG1-O 3.47Å; I11-V134 PolarHBondContact N-O 3.11Å; I11-Q156 HydrophobicContact CD1-CB 3.81Å; I11-Q156 HydrophobicContact CD1-CG 4Å; I11-F158 HydrophobicContact CD1-CE2 3.69Å; I11-F158 HydrophobicContact CD1-CZ 3.57Å
12S85.4Confident83.5Confident65 Ų6566.3 Ų66.346%0.45541%0.414SS..PPolyproline II helixtrans-67.4141.9171.8179.40000110.5S14 L15S12-S14 WeakPolarHBondContact CB-OG 3.43Å; S12-S14 PolarHBondContact O-N 3.41Å; S12-S14 PolarHBondContact OG-N 3.06Å; S12-S14 PolarHBondContact OG-OG 2.68Å; S12-L15 VanDerWaalsContact O-CB 3.29Å; S12-L15 WeakPolarHBondContact O-CB 3.29Å; S12-L15 PolarHBondContact O-N 2.71Å
13P77.9Confident85.5Confident102 Ų10267.7 Ų67.766%0.66241%0.412SS*.G310 helixtrans-54.7-25.1170.7-26.234.4000113.8L15 G16P13-L15 VanDerWaalsContact C-N 3.26Å; P13-L15 PolarHBondContact O-N 3.32Å; P13-G16 PolarHBondContact O-N 3.29Å
14S83.4Confident87.3Confident107 Ų10767.1 Ų67.175%0.74841%0.406SS*.G310 helixtrans-71.2-15.3178.364.10000114.5S12 G16S12-S14 WeakPolarHBondContact CB-OG 3.43Å; S12-S14 PolarHBondContact O-N 3.41Å; S12-S14 PolarHBondContact OG-N 3.06Å; S12-S14 PolarHBondContact OG-OG 2.68Å; S14-G16 PolarHBondContact O-N 2.83Å
15L89.9Confident88.5Confident66 Ų6662.2 Ų62.235%0.34637%0.372SS..G310 helixtrans-67.5-20.5177.8-170.265000112.3I11 S12 P13 L133 F158 F169 H173I11-L15 HydrophobicContact CB-CD2 3.78Å; I11-L15 HydrophobicContact CD1-CD2 3.99Å; I11-L15 HydrophobicContact CG2-CD2 3.63Å; S12-L15 VanDerWaalsContact O-CB 3.29Å; S12-L15 WeakPolarHBondContact O-CB 3.29Å; S12-L15 PolarHBondContact O-N 2.71Å; P13-L15 VanDerWaalsContact C-N 3.26Å; P13-L15 PolarHBondContact O-N 3.32Å; L15-L133 HydrophobicContact CD2-CD1 4.35Å; L15-F158 HydrophobicContact CB-CZ 4.48Å; L15-F158 HydrophobicContact CD2-CE1 4.23Å; L15-F158 HydrophobicContact CD2-CZ 3.85Å; L15-F158 HydrophobicContact CG-CE1 3.96Å; L15-F158 HydrophobicContact CG-CZ 4Å; L15-F169 HydrophobicContact CD2-CE2 4.38Å; L15-F169 HydrophobicContact CD2-CZ 4.28Å; L15-H173 WeakPolarHBondContact CD2-NE2 3.49Å
16G90.3Very high89.2Confident33 Ų3363.1 Ų63.134%0.3438%0.375SS..  trans87.6-141-179.700000113.2P13 S14 Q156 F158P13-G16 PolarHBondContact O-N 3.29Å; S14-G16 PolarHBondContact O-N 2.83Å; G16-Q156 WeakPolarHBondContact O-CG 3.26Å; G16-Q156 PolarHBondContact O-NE2 3.05Å; G16-F158 WeakPolarHBondContact O-CZ 3.39Å
17G92.3Very high89.8Confident37 Ų3761.9 Ų61.938%0.38137%0.367SS..  trans81171.5-174.500000113.6Q156 L157G17-Q156 VanDerWaalsContact C-NE2 3.32Å; G17-Q156 PolarHBondContact O-NE2 2.88Å; G17-L157 CarbonylContact C-O 3.27Å; G17-L157 VanDerWaalsContact CA-O 3.26Å; G17-L157 WeakPolarHBondContact CA-O 3.34Å
18T95.9Very high90.6Very high95 Ų9551.8 Ų51.858%0.58333%0.33SS*.EExtended strand (participates in β ladder)trans-102.7128.1180-540000109.4L157T18-L157 PolarHBondContact N-O 3.35Å; T18-L157 WeakPolarHBondContact O-CD1 3.45Å; T18-L157 PolarHBondContact O-N 2.76Å
19P95.4Very high91.2Very high65 Ų6546.8 Ų46.842%0.42229%0.294SS..EExtended strand (participates in β ladder)trans-63.6145.7175.626-33.2000111.4C139P19-C139 HydrophobicContact CB-CB 3.78Å
20V95.3Very high91.6Very high3 Ų351.6 Ų51.62%0.01831%0.312CS..PPolyproline II helixtrans-60.3142.6171.471.30000110.4L24 T25 C139 I140 T152 L155 L157V20-L24 HydrophobicContact CG2-CB 4.19Å; V20-L24 HydrophobicContact CG2-CD2 3.96Å; V20-L24 HydrophobicContact CG2-CG 4.06Å; V20-T25 HydrophobicContact CB-CG2 4.36Å; V20-T25 HydrophobicContact CG1-CG2 3.94Å; V20-T25 HydrophobicContact CG2-CG2 3.49Å; V20-T25 VanDerWaalsContact CG2-CG2 3.49Å; V20-C139 HydrophobicContact CG1-CB 3.83Å; V20-I140 HydrophobicContact CG1-CG2 4.36Å; V20-I140 WeakPolarHBondContact O-CG2 3.11Å; V20-T152 WeakPolarHBondContact CG1-O 3.19Å; V20-L155 HydrophobicContact CB-CB 3.99Å; V20-L155 WeakPolarHBondContact CB-O 3.4Å; V20-L155 HydrophobicContact CG1-CB 4.11Å; V20-L155 WeakPolarHBondContact CG1-O 3.49Å; V20-L155 HydrophobicContact CG2-CB 4.47Å; V20-L155 PolarHBondContact N-O 2.72Å; V20-L157 HydrophobicContact CB-CD1 3.95Å; V20-L157 HydrophobicContact CG2-CD1 4.38Å
21T94.1Very high92Very high63 Ų6350.1 Ų50.139%0.38730%0.303SS..PPolyproline II helixtrans-99.8156.7177.8670000111.3Q23 L24 T25T21-Q23 VanDerWaalsContact C-N 3.28Å; T21-Q23 PolarHBondContact O-N 3.18Å; T21-L24 PolarHBondContact O-N 2.86Å; T21-L24 VanDerWaalsContact O-N 3.1Å; T21-L24 VanDerWaalsContact OG1-CB 3.32Å; T21-L24 WeakPolarHBondContact OG1-CB 3.46Å; T21-L24 PolarHBondContact OG1-N 3.49Å; T21-T25 WeakPolarHBondContact O-CG2 3.45Å; T21-T25 PolarHBondContact O-N 3.03Å
22P91.8Very high92.4Very high49 Ų4949.5 Ų49.532%0.31830%0.299SS..Hα-helixtrans-54.2-44.5175.7-26.335000112.4L24 T25 E26 I140P22-L24 VanDerWaalsContact C-N 3.31Å; P22-L24 PolarHBondContact O-N 3.37Å; P22-T25 PolarHBondContact O-N 2.98Å; P22-T25 PolarHBondContact O-OG1 3.01Å; P22-E26 PolarHBondContact O-N 2.87Å; P22-I140 HydrophobicContact CG-CB 4.21Å; P22-I140 HydrophobicContact CG-CG2 3.91Å
23Q92.8Very high92.8Very high129 Ų12947.1 Ų47.160%0.60328%0.281SS*.Hα-helixtrans-62.6-37.9179.3-61.879.95.700112.2T21 S27T21-Q23 VanDerWaalsContact C-N 3.28Å; T21-Q23 PolarHBondContact O-N 3.18Å; Q23-S27 VanDerWaalsContact O-CB 3.29Å; Q23-S27 WeakPolarHBondContact O-CB 3.37Å; Q23-S27 PolarHBondContact O-N 2.65Å; Q23-S27 PolarHBondContact O-OG 3.15Å
24L94.9Very high93.6Very high37 Ų3744.5 Ų44.519%0.19427%0.272CS..Hα-helixtrans-69-45.5175.7-179.556.7000110.6V20 T21 P22 E26 S27 L28 L157 V198V20-L24 HydrophobicContact CG2-CB 4.19Å; V20-L24 HydrophobicContact CG2-CD2 3.96Å; V20-L24 HydrophobicContact CG2-CG 4.06Å; T21-L24 PolarHBondContact O-N 2.86Å; T21-L24 VanDerWaalsContact O-N 3.1Å; T21-L24 VanDerWaalsContact OG1-CB 3.32Å; T21-L24 WeakPolarHBondContact OG1-CB 3.46Å; T21-L24 PolarHBondContact OG1-N 3.49Å; P22-L24 VanDerWaalsContact C-N 3.31Å; P22-L24 PolarHBondContact O-N 3.37Å; L24-E26 VanDerWaalsContact C-N 3.33Å; L24-E26 PolarHBondContact O-N 3.06Å; L24-S27 WeakPolarHBondContact O-CB 3.17Å; L24-S27 PolarHBondContact O-N 2.97Å; L24-S27 VanDerWaalsContact O-N 3.09Å; L24-L28 HydrophobicContact CD1-CD1 4.45Å; L24-L28 HydrophobicContact CD1-CD2 4.25Å; L24-L28 HydrophobicContact CD1-CG 4.02Å; L24-L28 HydrophobicContact CG-CD1 4.16Å; L24-L28 HydrophobicContact CG-CG 4.21Å; L24-L28 WeakPolarHBondContact O-CB 3.49Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.27Å; L24-L28 PolarHBondContact O-N 2.92Å; L24-L157 HydrophobicContact CD2-CD1 4.33Å; L24-L157 HydrophobicContact CD2-CD2 3.66Å; L24-V198 HydrophobicContact CD1-CG2 4.24Å
25T93.3Very high93.9Very high0 Ų040.3 Ų40.30%025%0.246CC..Hα-helixtrans-58.5-42.817864.30000112.7V20 T21 P22 L28 R29 I140 T152V20-T25 HydrophobicContact CB-CG2 4.36Å; V20-T25 HydrophobicContact CG1-CG2 3.94Å; V20-T25 HydrophobicContact CG2-CG2 3.49Å; V20-T25 VanDerWaalsContact CG2-CG2 3.49Å; T21-T25 WeakPolarHBondContact O-CG2 3.45Å; T21-T25 PolarHBondContact O-N 3.03Å; P22-T25 PolarHBondContact O-N 2.98Å; P22-T25 PolarHBondContact O-OG1 3.01Å; T25-L28 PolarHBondContact O-N 2.91Å; T25-R29 WeakPolarHBondContact O-CG 3.5Å; T25-R29 PolarHBondContact O-N 3.3Å; T25-R29 VanDerWaalsContact O-N 3.11Å; T25-I140 HydrophobicContact CG2-CD1 3.67Å; T25-T152 HydrophobicContact CG2-CG2 3.92Å
26E92.9Very high93.9Very high47 Ų4738 Ų3822%0.2224%0.235CC..Hα-helixtrans-63-43.5174.2-72.8-177.4-145.700112P22 L24 R29 R30 T36 H143P22-E26 PolarHBondContact O-N 2.87Å; L24-E26 VanDerWaalsContact C-N 3.33Å; L24-E26 PolarHBondContact O-N 3.06Å; E26-R29 PolarHBondContact O-N 3.17Å; E26-R30 WeakPolarHBondContact O-CG 3.3Å; E26-R30 PolarHBondContact O-N 2.82Å; E26-R30 IonicContact OE2-CZ 3.68Å; E26-R30 IonicContact OE2-NH1 3.54Å; E26-R30 PolarHBondContact OE2-NH1 2.55Å; E26-R30 IonicContact OE2-NH2 3.12Å; E26-R30 PolarHBondContact OE2-NH2 3.43Å; E26-T36 HydrophobicContact CB-CG2 4.12Å; E26-T36 HydrophobicContact CG-CG2 4.18Å; E26-H143 IonicContact OE1-NE2 3.63Å
27S95.3Very high93.8Very high20 Ų2042.8 Ų42.814%0.1425%0.247CC..Hα-helixtrans-64.2-41.1179.6-66.10000111.9Q23 L24 R29 R30 I31Q23-S27 VanDerWaalsContact O-CB 3.29Å; Q23-S27 WeakPolarHBondContact O-CB 3.37Å; Q23-S27 PolarHBondContact O-N 2.65Å; Q23-S27 PolarHBondContact O-OG 3.15Å; L24-S27 WeakPolarHBondContact O-CB 3.17Å; L24-S27 PolarHBondContact O-N 2.97Å; L24-S27 VanDerWaalsContact O-N 3.09Å; S27-R29 VanDerWaalsContact C-N 3.32Å; S27-R29 PolarHBondContact O-N 3.4Å; S27-R30 PolarHBondContact O-N 3.19Å; S27-I31 WeakPolarHBondContact O-CB 3.33Å; S27-I31 WeakPolarHBondContact O-CG2 3.48Å; S27-I31 PolarHBondContact O-N 3.22Å
28L95.9Very high93.7Very high1 Ų145 Ų451%0.00525%0.246CC..Hα-helixtrans-58.6-44.2173.2-70.7176.2000111L24 T25 I31 L32 L155 Y190 I193L24-L28 HydrophobicContact CD1-CD1 4.45Å; L24-L28 HydrophobicContact CD1-CD2 4.25Å; L24-L28 HydrophobicContact CD1-CG 4.02Å; L24-L28 HydrophobicContact CG-CD1 4.16Å; L24-L28 HydrophobicContact CG-CG 4.21Å; L24-L28 WeakPolarHBondContact O-CB 3.49Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.27Å; L24-L28 PolarHBondContact O-N 2.92Å; T25-L28 PolarHBondContact O-N 2.91Å; L28-I31 WeakPolarHBondContact O-CG2 3.22Å; L28-L32 VanDerWaalsContact O-CB 3.27Å; L28-L32 WeakPolarHBondContact O-CB 3.37Å; L28-L32 WeakPolarHBondContact O-CD1 3.5Å; L28-L32 VanDerWaalsContact O-CG 3.23Å; L28-L32 WeakPolarHBondContact O-CG 3.26Å; L28-L32 PolarHBondContact O-N 3.4Å; L28-L155 HydrophobicContact CD1-CD1 4.36Å; L28-Y190 HydrophobicContact CB-CD1 4.32Å; L28-Y190 HydrophobicContact CB-CE1 4.01Å; L28-Y190 HydrophobicContact CD1-CD1 3.73Å; L28-Y190 HydrophobicContact CD1-CE1 3.95Å; L28-Y190 HydrophobicContact CD2-CD1 4.03Å; L28-Y190 HydrophobicContact CG-CD1 4.23Å; L28-Y190 HydrophobicContact CG-CE1 4.38Å; L28-I193 HydrophobicContact CD2-CB 4.1Å; L28-I193 HydrophobicContact CD2-CG2 3.4Å; L28-I193 VanDerWaalsContact CD2-CG2 3.4Å
29R93.8Very high93.6Very high0 Ų041.7 Ų41.70%023%0.226CC..Hα-helixtrans-69.4-42.6178.5-69-174.3-179.7-167.5-0.3113T25 E26 S27 I31 L32 F33 G35 T36 Y146 K147 D149 E153T25-R29 WeakPolarHBondContact O-CG 3.5Å; T25-R29 PolarHBondContact O-N 3.3Å; T25-R29 VanDerWaalsContact O-N 3.11Å; E26-R29 PolarHBondContact O-N 3.17Å; S27-R29 VanDerWaalsContact C-N 3.32Å; S27-R29 PolarHBondContact O-N 3.4Å; R29-I31 PolarHBondContact O-N 3.46Å; R29-L32 PolarHBondContact O-N 3.18Å; R29-F33 HydrophobicContact CB-CD2 4.29Å; R29-F33 HydrophobicContact CG-CD2 4.5Å; R29-F33 PolarHBondContact O-N 3.4Å; R29-G35 CarbonylContact C-O 3.56Å; R29-G35 WeakPolarHBondContact CB-O 3.27Å; R29-G35 VanDerWaalsContact O-O 3.06Å; R29-T36 VanDerWaalsContact CD-O 3.31Å; R29-T36 WeakPolarHBondContact CD-O 3.38Å; R29-T36 PolarHBondContact NH1-O 3.49Å; R29-Y146 VanDerWaalsContact CZ-OH 3.29Å; R29-Y146 VanDerWaalsContact NE-CE2 3.25Å; R29-Y146 PolarHBondContact NE-OH 2.85Å; R29-Y146 VanDerWaalsContact NH2-CE1 3.29Å; R29-Y146 PolarHBondContact NH2-OH 3.27Å; R29-K147 PolarHBondContact NH1-O 2.94Å; R29-K147 PolarHBondContact NH2-O 3.15Å; R29-D149 IonicContact NH2-OD1 2.88Å; R29-E153 IonicContact NH2-OE1 2.85Å; R29-E153 PolarHBondContact NH2-OE1 3.44Å; R29-E153 VanDerWaalsContact NH2-OE1 3.13Å
30R95.1Very high93.4Very high114 Ų11438.8 Ų38.843%0.4321%0.207SC..Hα-helixtrans-61.3-44.4176-72.2-175.6-175.4108.35111.4E26 S27 L32 G34 T36E26-R30 WeakPolarHBondContact O-CG 3.3Å; E26-R30 PolarHBondContact O-N 2.82Å; E26-R30 IonicContact OE2-CZ 3.68Å; E26-R30 IonicContact OE2-NH1 3.54Å; E26-R30 PolarHBondContact OE2-NH1 2.55Å; E26-R30 IonicContact OE2-NH2 3.12Å; E26-R30 PolarHBondContact OE2-NH2 3.43Å; S27-R30 PolarHBondContact O-N 3.19Å; R30-L32 VanDerWaalsContact C-N 3.35Å; R30-G34 WeakPolarHBondContact O-CA 3.49Å; R30-G34 PolarHBondContact O-N 2.78Å; R30-T36 HydrophobicContact CG-CG2 4.03Å
31I97.2Very high93.3Very high7 Ų740.6 Ų40.64%0.03622%0.217CC..Hα-helixtrans-71.6-29.8-179.9-153.467.4000112.3S27 L28 R29 I193 L201 R202 L205 H211 L212S27-I31 WeakPolarHBondContact O-CB 3.33Å; S27-I31 WeakPolarHBondContact O-CG2 3.48Å; S27-I31 PolarHBondContact O-N 3.22Å; L28-I31 WeakPolarHBondContact O-CG2 3.22Å; R29-I31 PolarHBondContact O-N 3.46Å; I31-I193 HydrophobicContact CG2-CD1 4.07Å; I31-I193 HydrophobicContact CG2-CG2 3.97Å; I31-L201 HydrophobicContact CD1-CB 4.1Å; I31-L201 HydrophobicContact CG1-CB 4.12Å; I31-L201 HydrophobicContact CG1-CD1 4.04Å; I31-R202 HydrophobicContact CD1-CG 4.41Å; I31-L205 HydrophobicContact CD1-CD1 3.57Å; I31-L205 HydrophobicContact CG1-CD1 4.41Å; I31-H211 CarbonylContact O-C 3.5Å; I31-H211 WeakPolarHBondContact O-CA 3.45Å; I31-H211 WeakPolarHBondContact O-CB 3.4Å; I31-L212 HydrophobicContact CG1-CD1 4.45Å; I31-L212 PolarHBondContact O-N 3.11Å
32L96.7Very high93.1Very high0 Ų044.7 Ų44.70%023%0.226CC..Hα-helixtrans-77.9-52.7176.2-77.1167.8000112.1L28 R29 R30 F40 L189 Y190 I193 L212 L213L28-L32 VanDerWaalsContact O-CB 3.27Å; L28-L32 WeakPolarHBondContact O-CB 3.37Å; L28-L32 WeakPolarHBondContact O-CD1 3.5Å; L28-L32 VanDerWaalsContact O-CG 3.23Å; L28-L32 WeakPolarHBondContact O-CG 3.26Å; L28-L32 PolarHBondContact O-N 3.4Å; R29-L32 PolarHBondContact O-N 3.18Å; R30-L32 VanDerWaalsContact C-N 3.35Å; L32-F40 HydrophobicContact CD1-CE2 3.96Å; L32-F40 HydrophobicContact CD1-CZ 3.79Å; L32-F40 HydrophobicContact CD2-CZ 4.3Å; L32-L189 HydrophobicContact CD2-CD1 4.35Å; L32-L189 HydrophobicContact CD2-CD2 3.6Å; L32-L189 HydrophobicContact CD2-CG 3.94Å; L32-Y190 HydrophobicContact CD1-CD1 4.25Å; L32-Y190 HydrophobicContact CD1-CE1 3.56Å; L32-I193 HydrophobicContact CD1-CD1 4.15Å; L32-I193 HydrophobicContact CD2-CD1 3.56Å; L32-I193 HydrophobicContact CG-CD1 3.71Å; L32-L212 PolarHBondContact O-N 3.27Å; L32-L213 HydrophobicContact CB-CD1 4.48Å; L32-L213 HydrophobicContact CD2-CD1 3.95Å; L32-L213 HydrophobicContact CD2-CG 4.18Å; L32-L213 WeakPolarHBondContact O-CA 3.44Å; L32-L213 VanDerWaalsContact O-CB 3.29Å; L32-L213 WeakPolarHBondContact O-CB 3.49Å; L32-L213 PolarHBondContact O-N 2.82Å
33F95.3Very high93Very high14 Ų1445 Ų456%0.06122%0.223CC..Hα-helixtrans-115.2-3.9-164-50.5-65000114.5R29 G35 H38 F40 L213 F220R29-F33 HydrophobicContact CB-CD2 4.29Å; R29-F33 HydrophobicContact CG-CD2 4.5Å; R29-F33 PolarHBondContact O-N 3.4Å; F33-G35 PolarHBondContact O-N 3.2Å; F33-H38 HydrophobicContact CB-CB 3.61Å; F33-H38 HydrophobicContact CD1-CB 4.2Å; F33-H38 HydrophobicContact CD2-CB 4Å; F33-H38 WeakPolarHBondContact CD2-O 3.26Å; F33-H38 HydrophobicContact CG-CB 3.69Å; F33-F40 HydrophobicContact CE1-CD1 4.21Å; F33-F40 HydrophobicContact CE1-CE1 4.05Å; F33-F40 HydrophobicContact CE1-CZ 4.33Å; F33-F40 HydrophobicContact CE2-CE2 4.47Å; F33-F40 AromaticContact CZ-CD1 3.96Å; F33-F40 HydrophobicContact CZ-CD1 3.96Å; F33-F40 AromaticContact CZ-CD2 3.94Å; F33-F40 HydrophobicContact CZ-CD2 3.94Å; F33-F40 AromaticContact CZ-CE1 3.85Å; F33-F40 HydrophobicContact CZ-CE1 3.85Å; F33-F40 AromaticContact CZ-CE2 3.8Å; F33-F40 HydrophobicContact CZ-CE2 3.8Å; F33-F40 HydrophobicContact CZ-CG 4.01Å; F33-F40 AromaticContact CZ-CZ 3.76Å; F33-F40 HydrophobicContact CZ-CZ 3.76Å; F33-L213 HydrophobicContact CD1-CD1 4.2Å; F33-L213 HydrophobicContact CE1-CD1 3.73Å; F33-F220 HydrophobicContact CB-CE1 4.47Å; F33-F220 AromaticContact CD1-CD1 3.82Å; F33-F220 HydrophobicContact CD1-CD1 3.82Å; F33-F220 HydrophobicContact CD1-CD2 4.14Å; F33-F220 AromaticContact CD1-CE1 3.52Å; F33-F220 HydrophobicContact CD1-CE1 3.52Å; F33-F220 AromaticContact CD1-CE2 3.85Å; F33-F220 HydrophobicContact CD1-CE2 3.85Å; F33-F220 HydrophobicContact CD1-CG 4.13Å; F33-F220 AromaticContact CD1-CZ 3.54Å; F33-F220 HydrophobicContact CD1-CZ 3.54Å; F33-F220 HydrophobicContact CE1-CD1 4.22Å; F33-F220 AromaticContact CE1-CD2 3.83Å; F33-F220 HydrophobicContact CE1-CD2 3.83Å; F33-F220 HydrophobicContact CE1-CE1 4.21Å; F33-F220 AromaticContact CE1-CE2 3.81Å; F33-F220 HydrophobicContact CE1-CE2 3.81Å; F33-F220 HydrophobicContact CE1-CG 4.05Å; F33-F220 HydrophobicContact CE1-CZ 4.01Å; F33-F220 HydrophobicContact CG-CE1 4.4Å; F33-F220 HydrophobicContact CG-CZ 4.31Å
34G93.4Very high93.1Very high47 Ų4738.9 Ų38.949%0.48520%0.195SC..SBendtrans76.55.5-17300000114.5R30R30-G34 WeakPolarHBondContact O-CA 3.49Å; R30-G34 PolarHBondContact O-N 2.78Å
35G90.8Very high93Very high19 Ų1938.7 Ų38.720%0.19619%0.191CC..SBendtrans-169175.5179.600000112.7R29 F33R29-G35 CarbonylContact C-O 3.56Å; R29-G35 WeakPolarHBondContact CB-O 3.27Å; R29-G35 VanDerWaalsContact O-O 3.06Å; F33-G35 PolarHBondContact O-N 3.2Å
36T90.1Very high93Very high19 Ų1942 Ų4212%0.11721%0.206CC..SBendtrans-96.8-12.5-174.551.40000114.5E26 R29 R30E26-T36 HydrophobicContact CB-CG2 4.12Å; E26-T36 HydrophobicContact CG-CG2 4.18Å; R29-T36 VanDerWaalsContact CD-O 3.31Å; R29-T36 WeakPolarHBondContact CD-O 3.38Å; R29-T36 PolarHBondContact NH1-O 3.49Å; R30-T36 HydrophobicContact CG-CG2 4.03Å
37F87.6Confident93.1Very high133 Ų13340.2 Ų40.258%0.58320%0.199SC*.SBendtrans-84.3-22.2-176.9-69-73.5000114.5K147F37-K147 WeakPolarHBondContact O-CD 3.48Å
38H91Very high93.1Very high82 Ų8240.5 Ų40.538%0.3820%0.197SC..  trans-81.8144.3179.5-68.1110.6000111.1F33 F220F33-H38 HydrophobicContact CB-CB 3.61Å; F33-H38 HydrophobicContact CD1-CB 4.2Å; F33-H38 HydrophobicContact CD2-CB 4Å; F33-H38 WeakPolarHBondContact CD2-O 3.26Å; F33-H38 HydrophobicContact CG-CB 3.69Å; H38-F220 HydrophobicContact CB-CE2 4.43Å; H38-F220 HydrophobicContact CB-CZ 3.79Å; H38-F220 AromaticContact CD2-CZ 3.87Å; H38-F220 AromaticContact CG-CZ 3.89Å
39V92.1Very high93.2Very high26 Ų2640.5 Ų40.516%0.15820%0.197CC..  trans-137.6159178.3-60.60000108.9N41 K147 D149V39-N41 PolarHBondContact O-N 3.07Å; V39-K147 HydrophobicContact CG1-CB 4.39Å; V39-K147 HydrophobicContact CG1-CD 4.05Å; V39-K147 HydrophobicContact CG1-CG 4.17Å; V39-K147 HydrophobicContact CG2-CD 4.15Å; V39-D149 HydrophobicContact CB-CB 3.9Å; V39-D149 HydrophobicContact CG1-CB 3.59Å
40F93Very high93.3Very high4 Ų444.1 Ų44.12%0.01821%0.214CC..  trans-61.2130.8176.2-70.9-72000111.6L32 F33 W44 R45 I186 L189 Y190 L213L32-F40 HydrophobicContact CD1-CE2 3.96Å; L32-F40 HydrophobicContact CD1-CZ 3.79Å; L32-F40 HydrophobicContact CD2-CZ 4.3Å; F33-F40 HydrophobicContact CE1-CD1 4.21Å; F33-F40 HydrophobicContact CE1-CE1 4.05Å; F33-F40 HydrophobicContact CE1-CZ 4.33Å; F33-F40 HydrophobicContact CE2-CE2 4.47Å; F33-F40 AromaticContact CZ-CD1 3.96Å; F33-F40 HydrophobicContact CZ-CD1 3.96Å; F33-F40 AromaticContact CZ-CD2 3.94Å; F33-F40 HydrophobicContact CZ-CD2 3.94Å; F33-F40 AromaticContact CZ-CE1 3.85Å; F33-F40 HydrophobicContact CZ-CE1 3.85Å; F33-F40 AromaticContact CZ-CE2 3.8Å; F33-F40 HydrophobicContact CZ-CE2 3.8Å; F33-F40 HydrophobicContact CZ-CG 4.01Å; F33-F40 AromaticContact CZ-CZ 3.76Å; F33-F40 HydrophobicContact CZ-CZ 3.76Å; F40-W44 HydrophobicContact CB-CB 3.87Å; F40-W44 HydrophobicContact CD1-CB 3.65Å; F40-W44 AromaticContact CD1-CD2 3.62Å; F40-W44 HydrophobicContact CD1-CD2 3.62Å; F40-W44 AromaticContact CD1-CE3 3.72Å; F40-W44 HydrophobicContact CD1-CE3 3.72Å; F40-W44 AromaticContact CD1-CG 3.62Å; F40-W44 HydrophobicContact CD1-CG 3.62Å; F40-W44 AromaticContact CE1-CD2 3.78Å; F40-W44 HydrophobicContact CE1-CD2 3.78Å; F40-W44 AromaticContact CE1-CE3 3.54Å; F40-W44 HydrophobicContact CE1-CE3 3.54Å; F40-W44 HydrophobicContact CE1-CG 4.28Å; F40-W44 AromaticContact CE1-CZ3 3.93Å; F40-W44 HydrophobicContact CE1-CZ3 3.93Å; F40-W44 HydrophobicContact CG-CB 4.14Å; F40-R45 HydrophobicContact CB-CG 4.47Å; F40-R45 PolarHBondContact O-NE 3.15Å; F40-I186 HydrophobicContact CB-CD1 3.65Å; F40-I186 HydrophobicContact CD1-CD1 4.21Å; F40-I186 HydrophobicContact CD1-CG1 4.28Å; F40-I186 HydrophobicContact CD2-CD1 3.81Å; F40-I186 HydrophobicContact CD2-CG1 4.1Å; F40-I186 HydrophobicContact CD2-CG2 3.69Å; F40-I186 HydrophobicContact CE1-CG1 4.49Å; F40-I186 HydrophobicContact CE2-CG1 4.33Å; F40-I186 HydrophobicContact CE2-CG2 3.56Å; F40-I186 HydrophobicContact CG-CD1 3.63Å; F40-I186 HydrophobicContact CG-CG1 4.07Å; F40-I186 HydrophobicContact CG-CG2 4.49Å; F40-I186 HydrophobicContact CZ-CG2 4.26Å; F40-L189 HydrophobicContact CE1-CD2 4.28Å; F40-L189 HydrophobicContact CZ-CD2 3.89Å; F40-Y190 HydrophobicContact CE2-CE1 4.48Å; F40-Y190 HydrophobicContact CE2-CE2 4.31Å; F40-Y190 AromaticContact CE2-CZ 3.86Å; F40-Y190 WeakPolarHBondContact CE2-OH 3.45Å; F40-L213 HydrophobicContact CE1-CD1 3.63Å; F40-L213 HydrophobicContact CZ-CD1 4.16Å
41N91.4Very high93.4Very high41 Ų4139.6 Ų39.622%0.21920%0.198CC..  trans-78.2178.8177.572.15.9000111.6V39 E43 W44 R45 G218 N219V39-N41 PolarHBondContact O-N 3.07Å; N41-E43 VanDerWaalsContact C-N 3.32Å; N41-E43 PolarHBondContact O-N 3.45Å; N41-E43 PolarHBondContact OD1-N 3.43Å; N41-W44 PolarHBondContact O-N 3.16Å; N41-W44 PolarHBondContact OD1-N 3.46Å; N41-W44 VanDerWaalsContact OD1-N 3.15Å; N41-R45 WeakPolarHBondContact O-CG 3.46Å; N41-R45 PolarHBondContact O-N 3.46Å; N41-G218 PolarHBondContact ND2-O 2.92Å; N41-N219 PolarHBondContact ND2-OD1 3.1Å
42Y90.5Very high93.3Very high150 Ų15040.4 Ų40.459%0.58820%0.2SC*.Hα-helixtrans-56.4-42.9-177.7178.5-100.9000113.3W44 R45 K46Y42-W44 VanDerWaalsContact C-N 3.32Å; Y42-W44 PolarHBondContact O-N 2.99Å; Y42-R45 PolarHBondContact O-N 2.87Å; Y42-R45 VanDerWaalsContact O-N 3.13Å; Y42-K46 HydrophobicContact CD1-CD 4.33Å; Y42-K46 HydrophobicContact CE1-CD 3.89Å; Y42-K46 PolarHBondContact O-N 3.43Å
43E90.8Very high93.2Very high55 Ų5547.6 Ų47.626%0.25723%0.234SC..Hα-helixtrans-62.9-37-179.1-67.8-63.8113.200112.7N41 K46N41-E43 VanDerWaalsContact C-N 3.32Å; N41-E43 PolarHBondContact O-N 3.45Å; N41-E43 PolarHBondContact OD1-N 3.43Å; E43-K46 VanDerWaalsContact CD-CE 3.42Å; E43-K46 VanDerWaalsContact O-CG 3.32Å; E43-K46 WeakPolarHBondContact O-CG 3.41Å; E43-K46 WeakPolarHBondContact OE1-CE 3.08Å; E43-K46 IonicContact OE1-NZ 2.86Å; E43-K46 PolarHBondContact OE1-NZ 3.43Å; E43-K46 WeakPolarHBondContact OE2-CE 3.21Å; E43-K46 IonicContact OE2-NZ 3.13Å; E43-K46 PolarHBondContact OE2-NZ 3.44Å
44W93.9Very high93.1Very high0 Ų048.9 Ų48.90%024%0.244CC..Hα-helixtrans-72.1-41.3172.2-84.784.9000111.9F40 N41 Y42 K46 S47 A69 I72 V185 I186 L189 L213 F220F40-W44 HydrophobicContact CB-CB 3.87Å; F40-W44 HydrophobicContact CD1-CB 3.65Å; F40-W44 AromaticContact CD1-CD2 3.62Å; F40-W44 HydrophobicContact CD1-CD2 3.62Å; F40-W44 AromaticContact CD1-CE3 3.72Å; F40-W44 HydrophobicContact CD1-CE3 3.72Å; F40-W44 AromaticContact CD1-CG 3.62Å; F40-W44 HydrophobicContact CD1-CG 3.62Å; F40-W44 AromaticContact CE1-CD2 3.78Å; F40-W44 HydrophobicContact CE1-CD2 3.78Å; F40-W44 AromaticContact CE1-CE3 3.54Å; F40-W44 HydrophobicContact CE1-CE3 3.54Å; F40-W44 HydrophobicContact CE1-CG 4.28Å; F40-W44 AromaticContact CE1-CZ3 3.93Å; F40-W44 HydrophobicContact CE1-CZ3 3.93Å; F40-W44 HydrophobicContact CG-CB 4.14Å; N41-W44 PolarHBondContact O-N 3.16Å; N41-W44 PolarHBondContact OD1-N 3.46Å; N41-W44 VanDerWaalsContact OD1-N 3.15Å; Y42-W44 VanDerWaalsContact C-N 3.32Å; Y42-W44 PolarHBondContact O-N 2.99Å; W44-K46 PolarHBondContact O-N 2.96Å; W44-S47 WeakPolarHBondContact O-CB 3.47Å; W44-S47 PolarHBondContact O-N 3.48Å; W44-S47 VanDerWaalsContact O-N 3.13Å; W44-S47 PolarHBondContact O-OG 3.07Å; W44-A69 HydrophobicContact CD2-CB 4.23Å; W44-A69 HydrophobicContact CE3-CB 4.04Å; W44-A69 HydrophobicContact CZ3-CB 4.21Å; W44-I72 HydrophobicContact CH2-CD1 3.74Å; W44-I72 HydrophobicContact CZ3-CD1 3.74Å; W44-V185 HydrophobicContact CZ3-CG1 4.25Å; W44-I186 HydrophobicContact CB-CD1 4.2Å; W44-I186 HydrophobicContact CE3-CG1 4.26Å; W44-L189 HydrophobicContact CH2-CD2 4.28Å; W44-L189 HydrophobicContact CZ3-CD2 3.91Å; W44-L213 HydrophobicContact CH2-CD1 4.28Å; W44-L213 HydrophobicContact CH2-CD2 3.91Å; W44-L213 HydrophobicContact CZ2-CD1 4.19Å; W44-L213 HydrophobicContact CZ2-CD2 3.9Å; W44-F220 PolarHBondContact NE1-O 3.47Å
45R92.8Very high92.9Very high33 Ų3350.9 Ų50.913%0.12524%0.243CC..Hα-helixtrans-62.8-43178.2-73.5-177.4-178.2-108.3-2.4111.6F40 N41 Y42 S47 D149 H183 I186F40-R45 HydrophobicContact CB-CG 4.47Å; F40-R45 PolarHBondContact O-NE 3.15Å; N41-R45 WeakPolarHBondContact O-CG 3.46Å; N41-R45 PolarHBondContact O-N 3.46Å; Y42-R45 PolarHBondContact O-N 2.87Å; Y42-R45 VanDerWaalsContact O-N 3.13Å; R45-S47 PolarHBondContact O-N 3Å; R45-D149 PolarHBondContact NH1-O 2.92Å; R45-D149 VanDerWaalsContact NH2-CB 3.26Å; R45-D149 PolarHBondContact NH2-O 3.08Å; R45-D149 IonicContact NH2-OD2 3.91Å; R45-H183 VanDerWaalsContact C-ND1 3.33Å; R45-H183 PolarHBondContact O-CE1 3.29Å; R45-H183 PolarHBondContact O-ND1 3.5Å; R45-I186 HydrophobicContact CG-CD1 4.14Å
46K92.8Very high92.9Very high70 Ų7051.5 Ų51.530%0.30425%0.245SC..THydrogen-bonded Turntrans-67.7-5.9177.974.1178.8-167.4-172.10114.3Y42 E43 W44 F48Y42-K46 HydrophobicContact CD1-CD 4.33Å; Y42-K46 HydrophobicContact CE1-CD 3.89Å; Y42-K46 PolarHBondContact O-N 3.43Å; E43-K46 VanDerWaalsContact CD-CE 3.42Å; E43-K46 VanDerWaalsContact O-CG 3.32Å; E43-K46 WeakPolarHBondContact O-CG 3.41Å; E43-K46 WeakPolarHBondContact OE1-CE 3.08Å; E43-K46 IonicContact OE1-NZ 2.86Å; E43-K46 PolarHBondContact OE1-NZ 3.43Å; E43-K46 WeakPolarHBondContact OE2-CE 3.21Å; E43-K46 IonicContact OE2-NZ 3.13Å; E43-K46 PolarHBondContact OE2-NZ 3.44Å; W44-K46 PolarHBondContact O-N 2.96Å; K46-F48 WeakPolarHBondContact O-CD1 3.47Å; K46-F48 WeakPolarHBondContact O-CE1 3.33Å
47S94.8Very high92.9Very high10 Ų1055.9 Ų55.97%0.0726%0.264CS..  trans-87.6130.8-173.771.90000113.7W44 R45 A69 H183 G184 V185W44-S47 WeakPolarHBondContact O-CB 3.47Å; W44-S47 PolarHBondContact O-N 3.48Å; W44-S47 VanDerWaalsContact O-N 3.13Å; W44-S47 PolarHBondContact O-OG 3.07Å; R45-S47 PolarHBondContact O-N 3Å; S47-A69 VanDerWaalsContact OG-CB 3.26Å; S47-A69 WeakPolarHBondContact OG-CB 3.08Å; S47-H183 CarbonylContact O-C 3.56Å; S47-G184 PolarHBondContact O-N 3.34Å; S47-V185 PolarHBondContact O-N 3.33Å; S47-V185 WeakPolarHBondContact OG-CB 3.15Å
48F96.8Very high93.2Very high26 Ų2649.7 Ų49.711%0.11424%0.237CC..  trans-149.3173.2177.857.2-82.3000109.6K46 Q50 Q73 K178 E180K46-F48 WeakPolarHBondContact O-CD1 3.47Å; K46-F48 WeakPolarHBondContact O-CE1 3.33Å; F48-Q50 HydrophobicContact CD2-CB 3.84Å; F48-Q50 HydrophobicContact CE2-CB 3.49Å; F48-Q50 VanDerWaalsContact CE2-CB 3.49Å; F48-Q50 HydrophobicContact CE2-CG 3.96Å; F48-Q50 VanDerWaalsContact CE2-OE1 3.32Å; F48-Q50 HydrophobicContact CZ-CB 4.25Å; F48-Q50 PolarHBondContact O-N 2.77Å; F48-Q73 PolarHBondContact O-NE2 3.01Å; F48-K178 WeakPolarHBondContact CD2-O 3.23Å; F48-K178 WeakPolarHBondContact CE2-O 3.27Å; F48-E180 HydrophobicContact CE1-CB 4.28Å; F48-E180 HydrophobicContact CE1-CG 4.19Å; F48-E180 HydrophobicContact CE2-CB 4.5Å; F48-E180 HydrophobicContact CZ-CB 3.97Å; F48-E180 HydrophobicContact CZ-CG 4.21Å
49F97.9Very high93.3Very high0 Ų045.8 Ų45.80%022%0.219CC..  trans-92.875.3-177.8-60.7-77.3000111.2L62 I72 Q73 I76 L112 L116 F177 K178 V185 F188F49-L62 HydrophobicContact CB-CD2 4.24Å; F49-L62 HydrophobicContact CD1-CD1 3.95Å; F49-I72 HydrophobicContact CZ-CG2 4.38Å; F49-Q73 HydrophobicContact CD1-CG 4.33Å; F49-Q73 HydrophobicContact CE1-CG 4.25Å; F49-I76 HydrophobicContact CD1-CB 4.38Å; F49-I76 HydrophobicContact CD1-CG2 4.13Å; F49-I76 HydrophobicContact CE1-CB 3.92Å; F49-I76 HydrophobicContact CE1-CG1 3.72Å; F49-I76 HydrophobicContact CE1-CG2 4.04Å; F49-I76 HydrophobicContact CZ-CG1 4.15Å; F49-L112 HydrophobicContact CB-CD1 3.71Å; F49-L112 HydrophobicContact CB-CD2 3.72Å; F49-L112 HydrophobicContact CB-CG 4.38Å; F49-L112 HydrophobicContact CD1-CD1 4.26Å; F49-L112 HydrophobicContact CD2-CD1 4.46Å; F49-L112 HydrophobicContact CG-CD1 3.91Å; F49-L116 HydrophobicContact CD2-CD2 4.3Å; F49-L116 HydrophobicContact CE1-CD2 4.38Å; F49-L116 HydrophobicContact CE2-CD2 3.84Å; F49-L116 HydrophobicContact CZ-CD2 3.89Å; F49-F177 HydrophobicContact CD2-CB 4.15Å; F49-F177 WeakPolarHBondContact CD2-O 3.33Å; F49-F177 PolarHBondContact N-O 3.21Å; F49-K178 WeakPolarHBondContact O-CB 3.42Å; F49-V185 HydrophobicContact CE1-CG2 4.15Å; F49-V185 HydrophobicContact CE2-CG2 4.16Å; F49-V185 HydrophobicContact CZ-CB 4.41Å; F49-V185 HydrophobicContact CZ-CG2 3.97Å; F49-F188 HydrophobicContact CE2-CB 3.71Å; F49-F188 HydrophobicContact CE2-CD1 4.31Å; F49-F188 HydrophobicContact CE2-CG 4.14Å; F49-F188 HydrophobicContact CZ-CB 4.01Å; F49-F188 AromaticContact CZ-CD1 3.75Å; F49-F188 HydrophobicContact CZ-CD1 3.75Å; F49-F188 HydrophobicContact CZ-CG 4.04Å
50Q96.1Very high93.5Very high77 Ų7744.6 Ų44.636%0.3621%0.211SC..PPolyproline II helixtrans-85124.5177.2-171.2165.83.400110.9F48 L62 E63F48-Q50 HydrophobicContact CD2-CB 3.84Å; F48-Q50 HydrophobicContact CE2-CB 3.49Å; F48-Q50 VanDerWaalsContact CE2-CB 3.49Å; F48-Q50 HydrophobicContact CE2-CG 3.96Å; F48-Q50 VanDerWaalsContact CE2-OE1 3.32Å; F48-Q50 HydrophobicContact CZ-CB 4.25Å; F48-Q50 PolarHBondContact O-N 2.77Å; Q50-L62 CarbonylContact O-C 3.51Å; Q50-L62 WeakPolarHBondContact O-CA 3.41Å; Q50-L62 WeakPolarHBondContact O-CD2 3.47Å; Q50-E63 HydrophobicContact CB-CB 4.41Å; Q50-E63 PolarHBondContact O-N 2.98Å
51F96.9Very high93.6Very high19 Ų1944.4 Ų44.48%0.08321%0.21CC..BIsolated β-bridgetrans-79.7156.3162.9-75.8-89000110.7S59 I61 L62 I80 Q108 L112F51-S59 WeakPolarHBondContact CD1-O 3.37Å; F51-I61 WeakPolarHBondContact CA-O 3.44Å; F51-L62 HydrophobicContact CD1-CD2 4.1Å; F51-L62 HydrophobicContact CD2-CD2 3.94Å; F51-L62 HydrophobicContact CE1-CD2 4.17Å; F51-L62 HydrophobicContact CE2-CD2 4.04Å; F51-L62 HydrophobicContact CG-CD2 3.99Å; F51-L62 HydrophobicContact CZ-CD2 4.15Å; F51-I80 HydrophobicContact CE1-CD1 4.11Å; F51-I80 HydrophobicContact CE1-CG2 4.09Å; F51-I80 HydrophobicContact CZ-CD1 3.7Å; F51-I80 HydrophobicContact CZ-CG1 4.4Å; F51-I80 HydrophobicContact CZ-CG2 4.24Å; F51-Q108 HydrophobicContact CB-CG 4.25Å; F51-Q108 HydrophobicContact CD1-CB 4.34Å; F51-Q108 HydrophobicContact CD1-CG 3.96Å; F51-Q108 HydrophobicContact CD2-CB 3.7Å; F51-Q108 HydrophobicContact CD2-CG 4.1Å; F51-Q108 HydrophobicContact CE1-CB 4.38Å; F51-Q108 HydrophobicContact CE1-CG 4.26Å; F51-Q108 HydrophobicContact CE2-CB 3.7Å; F51-Q108 HydrophobicContact CE2-CG 4.36Å; F51-Q108 VanDerWaalsContact CE2-O 3.31Å; F51-Q108 WeakPolarHBondContact CE2-O 3.49Å; F51-Q108 HydrophobicContact CG-CB 4Å; F51-Q108 HydrophobicContact CG-CG 3.86Å; F51-Q108 HydrophobicContact CZ-CB 4.06Å; F51-Q108 HydrophobicContact CZ-CG 4.45Å; F51-Q108 WeakPolarHBondContact CZ-O 3.3Å; F51-L112 HydrophobicContact CE2-CB 3.73Å; F51-L112 HydrophobicContact CE2-CD2 4.32Å; F51-L112 HydrophobicContact CZ-CB 4.14Å
52R95.2Very high93.9Very high24 Ų2442.4 Ų42.49%0.09120%0.2CC..PPolyproline II helixtrans-62.6165.7160.9-68.5-175.4175.5-138.38.7111.7L58 I61 E63 Q108 Q332 Q335R52-L58 VanDerWaalsContact CD-CB 3.46Å; R52-L58 VanDerWaalsContact NH1-CD1 3.28Å; R52-I61 PolarHBondContact N-O 2.9Å; R52-E63 HydrophobicContact CG-CG 3.68Å; R52-Q108 PolarHBondContact O-NE2 3.46Å; R52-Q332 PolarHBondContact NH2-O 3.08Å; R52-Q335 VanDerWaalsContact CZ-O 3.26Å; R52-Q335 PolarHBondContact NH1-O 2.79Å; R52-Q335 PolarHBondContact NH2-O 2.86Å
53E93.8Very high94.1Very high150 Ų15037.8 Ų37.870%0.70118%0.184SC*.PPolyproline II helixtrans-48.1131.1-178.7-167.4172.5-164.600111.8S56 S59E53-S56 VanDerWaalsContact O-CB 3.26Å; E53-S56 WeakPolarHBondContact O-CB 3.4Å; E53-S56 PolarHBondContact O-N 3.26Å; E53-S56 PolarHBondContact O-OG 2.81Å; E53-S59 WeakPolarHBondContact O-CB 3.17Å
54P94.2Very high94.1Very high42 Ų4235.1 Ų35.127%0.27317%0.171SC..THydrogen-bonded Turntrans-53.3150.7172.8-25.834.8000111.8S56 L103 Q105P54-S56 PolarHBondContact O-N 2.9Å; P54-L103 WeakPolarHBondContact CA-O 3.42Å; P54-Q105 HydrophobicContact CG-CB 4.26Å
55D88.9Confident93.5Very high89 Ų8939.4 Ų39.448%0.47619%0.194SC..THydrogen-bonded Turntrans56.115.7-178-60.5-40.2000116.2L103 Q104D55-L103 PolarHBondContact N-O 2.94Å; D55-Q104 PolarHBondContact OD1-NE2 2.88Å; D55-Q104 PolarHBondContact OD2-NE2 2.8Å
56S91.3Very high92.8Very high32 Ų3247.3 Ų47.322%0.22422%0.224CC..SBendtrans-91.416117074.90000111.9E53 P54 L58 S59 S101E53-S56 VanDerWaalsContact O-CB 3.26Å; E53-S56 WeakPolarHBondContact O-CB 3.4Å; E53-S56 PolarHBondContact O-N 3.26Å; E53-S56 PolarHBondContact O-OG 2.81Å; P54-S56 PolarHBondContact O-N 2.9Å; S56-L58 PolarHBondContact O-N 2.97Å; S56-S59 VanDerWaalsContact O-CB 3.27Å; S56-S59 WeakPolarHBondContact O-CB 3.44Å; S56-S59 PolarHBondContact O-N 2.84Å; S56-S59 PolarHBondContact O-OG 2.63Å; S56-S59 PolarHBondContact OG-N 3.37Å; S56-S101 CarbonylContact C-O 3.47Å; S56-S101 CarbonylContact O-C 3.58Å
57E90Very high92.4Very high110 Ų11045.9 Ų45.951%0.51423%0.229SC..THydrogen-bonded Turntrans-47.9-32.6178.4-172178.6164.500113.2S101 S337E57-S101 VanDerWaalsContact O-CB 3.32Å; E57-S101 WeakPolarHBondContact O-CB 3.45Å; E57-S101 PolarHBondContact O-OG 3.15Å; E57-S337 VanDerWaalsContact OE1-CA 3.31Å; E57-S337 WeakPolarHBondContact OE1-CA 3.17Å; E57-S337 WeakPolarHBondContact OE1-CB 3.43Å
58L92.8Very high92.1Very high4 Ų445.7 Ų45.72%0.02123%0.228CC..THydrogen-bonded Turntrans-116.125.7-176-58.5-178.4000112.6R52 S56 Y60 I61 Q335 R336 T338R52-L58 VanDerWaalsContact CD-CB 3.46Å; R52-L58 VanDerWaalsContact NH1-CD1 3.28Å; S56-L58 PolarHBondContact O-N 2.97Å; L58-Y60 PolarHBondContact O-N 2.98Å; L58-I61 HydrophobicContact CB-CB 4.36Å; L58-I61 HydrophobicContact CB-CD1 3.9Å; L58-I61 HydrophobicContact CB-CG1 4.24Å; L58-I61 HydrophobicContact CD1-CD1 4.21Å; L58-I61 HydrophobicContact CD2-CD1 3.59Å; L58-I61 HydrophobicContact CG-CD1 4.08Å; L58-I61 WeakPolarHBondContact O-CB 3.43Å; L58-I61 PolarHBondContact O-N 2.73Å; L58-Q335 HydrophobicContact CD1-CG 4.36Å; L58-Q335 WeakPolarHBondContact CD1-O 3.44Å; L58-R336 WeakPolarHBondContact CD1-O 3.27Å; L58-T338 WeakPolarHBondContact CD2-OG1 3.35Å
59S94.2Very high92Very high0 Ų044.6 Ų44.60%022%0.224CC..THydrogen-bonded Turntrans-58.3-16.1-17949.40000114.5F51 E53 S56 L100 S101 L103 Q108F51-S59 WeakPolarHBondContact CD1-O 3.37Å; E53-S59 WeakPolarHBondContact O-CB 3.17Å; S56-S59 VanDerWaalsContact O-CB 3.27Å; S56-S59 WeakPolarHBondContact O-CB 3.44Å; S56-S59 PolarHBondContact O-N 2.84Å; S56-S59 PolarHBondContact O-OG 2.63Å; S56-S59 PolarHBondContact OG-N 3.37Å; S59-L100 PolarHBondContact OG-O 3.27Å; S59-S101 PolarHBondContact OG-O 3.17Å; S59-L103 PolarHBondContact OG-N 2.88Å; S59-Q108 PolarHBondContact O-NE2 3.39Å
60Y95.2Very high91.9Very high0 Ų045.1 Ų45.10%023%0.226CC..THydrogen-bonded Turntrans-89.6-2.3173.671.8-83.5000114.7L58 Q77 I81 L100 F308 T338L58-Y60 PolarHBondContact O-N 2.98Å; Y60-Q77 PolarHBondContact O-NE2 3.27Å; Y60-Q77 PolarHBondContact O-OE1 2.93Å; Y60-I81 HydrophobicContact CD2-CD1 4.24Å; Y60-I81 HydrophobicContact CD2-CG1 3.98Å; Y60-I81 HydrophobicContact CE2-CD1 3.95Å; Y60-I81 HydrophobicContact CE2-CG1 4.16Å; Y60-L100 WeakPolarHBondContact CB-O 3.47Å; Y60-L100 HydrophobicContact CD1-CB 3.51Å; Y60-L100 VanDerWaalsContact CD1-O 3.3Å; Y60-L100 WeakPolarHBondContact CD1-O 3.27Å; Y60-L100 HydrophobicContact CD2-CB 4.46Å; Y60-L100 HydrophobicContact CD2-CD1 4.38Å; Y60-L100 HydrophobicContact CE1-CB 3.88Å; Y60-L100 HydrophobicContact CE1-CD1 4.48Å; Y60-L100 HydrophobicContact CE2-CD1 4.26Å; Y60-L100 HydrophobicContact CG-CB 3.81Å; Y60-F308 HydrophobicContact CE2-CE1 4.39Å; Y60-F308 HydrophobicContact CE2-CZ 4.22Å; Y60-T338 VanDerWaalsContact OH-CG2 3.27Å; Y60-T338 WeakPolarHBondContact OH-CG2 3.36Å; Y60-T338 PolarHBondContact OH-OG1 3.03Å
61I95.9Very high91.9Very high0 Ų041.5 Ų41.50%021%0.21CC..PPolyproline II helixtrans-98.8133.3-174.3-62.3-175.1000110.7F51 R52 L58 C329F51-I61 WeakPolarHBondContact CA-O 3.44Å; R52-I61 PolarHBondContact N-O 2.9Å; L58-I61 HydrophobicContact CB-CB 4.36Å; L58-I61 HydrophobicContact CB-CD1 3.9Å; L58-I61 HydrophobicContact CB-CG1 4.24Å; L58-I61 HydrophobicContact CD1-CD1 4.21Å; L58-I61 HydrophobicContact CD2-CD1 3.59Å; L58-I61 HydrophobicContact CG-CD1 4.08Å; L58-I61 WeakPolarHBondContact O-CB 3.43Å; L58-I61 PolarHBondContact O-N 2.73Å; I61-C329 HydrophobicContact CD1-CB 3.59Å; I61-C329 HydrophobicContact CG1-CB 4.36Å
62L97.1Very high92Very high0 Ų040.7 Ų40.70%021%0.206CC..BIsolated β-bridgetrans-75.9132.2165.4-65.7176.8000111.3F49 Q50 F51 A64 I76 Q77 I80 G331F49-L62 HydrophobicContact CB-CD2 4.24Å; F49-L62 HydrophobicContact CD1-CD1 3.95Å; Q50-L62 CarbonylContact O-C 3.51Å; Q50-L62 WeakPolarHBondContact O-CA 3.41Å; Q50-L62 WeakPolarHBondContact O-CD2 3.47Å; F51-L62 HydrophobicContact CD1-CD2 4.1Å; F51-L62 HydrophobicContact CD2-CD2 3.94Å; F51-L62 HydrophobicContact CE1-CD2 4.17Å; F51-L62 HydrophobicContact CE2-CD2 4.04Å; F51-L62 HydrophobicContact CG-CD2 3.99Å; F51-L62 HydrophobicContact CZ-CD2 4.15Å; L62-A64 PolarHBondContact O-N 2.83Å; L62-I76 HydrophobicContact CD1-CB 4.43Å; L62-I76 HydrophobicContact CD1-CG2 4.11Å; L62-Q77 HydrophobicContact CD1-CB 4.42Å; L62-I80 HydrophobicContact CD1-CD1 3.66Å; L62-I80 HydrophobicContact CD2-CD1 4.15Å; L62-I80 HydrophobicContact CG-CD1 3.85Å; L62-G331 WeakPolarHBondContact O-CA 3.31Å
63E94.9Very high92.1Very high52 Ų5240 Ų4024%0.24320%0.204CC..PPolyproline II helixtrans-70.7123.6168.7-63.1-174.3173.600109.4Q50 R52 Q73Q50-E63 HydrophobicContact CB-CB 4.41Å; Q50-E63 PolarHBondContact O-N 2.98Å; R52-E63 HydrophobicContact CG-CG 3.68Å; E63-Q73 PolarHBondContact O-NE2 2.99Å
64A90.4Very high92.3Very high0 Ų033 Ų330%017%0.171CC..  trans-141.199.9-178.200000110.1L62 R70 Q73 M74 G331L62-A64 PolarHBondContact O-N 2.83Å; A64-R70 HydrophobicContact CB-CG 4.02Å; A64-Q73 HydrophobicContact CB-CB 4.12Å; A64-M74 HydrophobicContact CB-CE 3.56Å; A64-G331 PolarHBondContact N-O 3.22Å
65D81.1Confident92.5Very high90 Ų9031 Ų3148%0.48116%0.158SC..  trans-65.9171.2173.9-82.9-24.7000112.2G67 R70D65-G67 PolarHBondContact O-N 2.99Å; D65-R70 WeakPolarHBondContact O-CD 3.19Å
66R79.1Confident93Very high199 Ų19926.7 Ų26.775%0.75114%0.135SC*.SBendtrans-63.5126.3172.8-60.6-175.8-176.2-140.40.9108.8
67G84.7Confident93.3Very high39 Ų3925.2 Ų25.240%0.40213%0.125SC..SBendtrans164.7171.3178.100000112.6D65 A69 R70D65-G67 PolarHBondContact O-N 2.99Å; G67-A69 VanDerWaalsContact C-N 3.32Å; G67-A69 PolarHBondContact O-N 2.99Å; G67-R70 WeakPolarHBondContact O-CB 3.5Å; G67-R70 PolarHBondContact O-N 3.02Å
68G88.3Confident93.8Very high6 Ų620 Ų206%0.06210%0.1CC..THydrogen-bonded Turntrans-64.7-33.7-179.100000114.5R70 F220 C222G68-R70 PolarHBondContact O-N 2.89Å; G68-F220 VanDerWaalsContact CA-O 3.25Å; G68-F220 WeakPolarHBondContact CA-O 3.44Å; G68-C222 PolarHBondContact O-SG 3.31Å; G68-C222 VanDerWaalsContact O-SG 3.4Å
69A94.7Very high94Very high4 Ų420 Ų203%0.03310%0.1CC..THydrogen-bonded Turntrans-67.2-23.2179.400000113.4W44 S47 G67 A71 I72 Q73 V185W44-A69 HydrophobicContact CD2-CB 4.23Å; W44-A69 HydrophobicContact CE3-CB 4.04Å; W44-A69 HydrophobicContact CZ3-CB 4.21Å; S47-A69 VanDerWaalsContact OG-CB 3.26Å; S47-A69 WeakPolarHBondContact OG-CB 3.08Å; G67-A69 VanDerWaalsContact C-N 3.32Å; G67-A69 PolarHBondContact O-N 2.99Å; A69-A71 PolarHBondContact O-N 3.36Å; A69-I72 WeakPolarHBondContact O-CB 3.3Å; A69-I72 PolarHBondContact O-N 3.37Å; A69-Q73 PolarHBondContact O-N 3.47Å; A69-Q73 VanDerWaalsContact O-N 3.1Å; A69-V185 HydrophobicContact CB-CG1 4.03Å
70R95.3Very high94.2Very high11 Ų1120 Ų204%0.04210%0.1CC..Hα-helixtrans-55.6-35.6179.8177.8170.3173.5-179.62.6112.6A64 D65 G67 G68 I72 Q73 M74 S303 Y304 N330 Q332A64-R70 HydrophobicContact CB-CG 4.02Å; D65-R70 WeakPolarHBondContact O-CD 3.19Å; G67-R70 WeakPolarHBondContact O-CB 3.5Å; G67-R70 PolarHBondContact O-N 3.02Å; G68-R70 PolarHBondContact O-N 2.89Å; R70-I72 VanDerWaalsContact C-N 3.29Å; R70-I72 PolarHBondContact O-N 3.13Å; R70-Q73 PolarHBondContact O-N 3.33Å; R70-M74 HydrophobicContact CG-CG 3.98Å; R70-M74 WeakPolarHBondContact O-CB 3.48Å; R70-M74 VanDerWaalsContact O-CG 3.26Å; R70-M74 WeakPolarHBondContact O-CG 3.48Å; R70-M74 PolarHBondContact O-N 3.13Å; R70-S303 PolarHBondContact NH1-OG 3.27Å; R70-S303 PolarHBondContact NH2-OG 3.37Å; R70-Y304 PolarHBondContact NE-O 3.14Å; R70-Y304 PolarHBondContact NH2-O 2.76Å; R70-N330 PolarHBondContact NH2-O 3.06Å; R70-Q332 VanDerWaalsContact NH1-NE2 3.12Å
71A96.4Very high94.3Very high1 Ų120 Ų201%0.00810%0.1CC..Hα-helixtrans-55.8-46.3176.100000111.6A69 V75 C222 L227 Y304A69-A71 PolarHBondContact O-N 3.36Å; A71-V75 WeakPolarHBondContact O-CG2 3.07Å; A71-V75 PolarHBondContact O-N 2.85Å; A71-C222 HydrophobicContact CB-CB 3.84Å; A71-L227 HydrophobicContact CB-CD2 4.1Å; A71-Y304 HydrophobicContact CB-CD1 4.26Å; A71-Y304 HydrophobicContact CB-CD2 3.56Å; A71-Y304 HydrophobicContact CB-CE1 4.2Å; A71-Y304 HydrophobicContact CB-CE2 3.5Å; A71-Y304 VanDerWaalsContact CB-CE2 3.5Å; A71-Y304 HydrophobicContact CB-CG 3.96Å
72I98.3Very high94.3Very high1 Ų120.2 Ų20.21%0.00510%0.101CC..Hα-helixtrans-67.6-47.7178.3-55.7-178.9000110.1W44 F49 A69 R70 M74 V75 I76 V185 F188 L189 L226 L230W44-I72 HydrophobicContact CH2-CD1 3.74Å; W44-I72 HydrophobicContact CZ3-CD1 3.74Å; F49-I72 HydrophobicContact CZ-CG2 4.38Å; A69-I72 WeakPolarHBondContact O-CB 3.3Å; A69-I72 PolarHBondContact O-N 3.37Å; R70-I72 VanDerWaalsContact C-N 3.29Å; R70-I72 PolarHBondContact O-N 3.13Å; I72-M74 VanDerWaalsContact C-N 3.27Å; I72-M74 PolarHBondContact O-N 3.48Å; I72-V75 PolarHBondContact O-N 3.44Å; I72-I76 HydrophobicContact CG2-CG1 4.5Å; I72-I76 WeakPolarHBondContact O-CG1 3.32Å; I72-I76 PolarHBondContact O-N 2.6Å; I72-V185 HydrophobicContact CB-CG1 3.96Å; I72-V185 HydrophobicContact CD1-CG1 3.83Å; I72-V185 HydrophobicContact CG1-CG1 4.42Å; I72-V185 HydrophobicContact CG2-CG1 4Å; I72-F188 HydrophobicContact CG2-CD1 3.84Å; I72-F188 HydrophobicContact CG2-CE1 3.9Å; I72-L189 HydrophobicContact CD1-CB 4.4Å; I72-L189 HydrophobicContact CD1-CD1 4.25Å; I72-L189 HydrophobicContact CD1-CD2 4.04Å; I72-L189 HydrophobicContact CD1-CG 4.48Å; I72-L226 HydrophobicContact CD1-CD2 4.21Å; I72-L230 HydrophobicContact CB-CD1 4.33Å; I72-L230 HydrophobicContact CG1-CD1 4.09Å; I72-L230 HydrophobicContact CG2-CD1 4.17Å; I72-L230 HydrophobicContact CG2-CD2 4.43Å
73Q98.2Very high94.2Very high11 Ų1121.9 Ų21.95%0.05111%0.108CC..Hα-helixtrans-57.6-39.4179.3-67.2172.4-62.800112.1F48 F49 E63 A64 A69 R70 I76 Q77 V185F48-Q73 PolarHBondContact O-NE2 3.01Å; F49-Q73 HydrophobicContact CD1-CG 4.33Å; F49-Q73 HydrophobicContact CE1-CG 4.25Å; E63-Q73 PolarHBondContact O-NE2 2.99Å; A64-Q73 HydrophobicContact CB-CB 4.12Å; A69-Q73 PolarHBondContact O-N 3.47Å; A69-Q73 VanDerWaalsContact O-N 3.1Å; R70-Q73 PolarHBondContact O-N 3.33Å; Q73-I76 PolarHBondContact O-N 2.99Å; Q73-Q77 WeakPolarHBondContact O-CB 3.35Å; Q73-Q77 PolarHBondContact O-N 3.1Å; Q73-V185 HydrophobicContact CG-CG2 3.86Å
74M98.1Very high94.2Very high1 Ų119.4 Ų19.41%0.00510%0.097CC..Hα-helixtrans-73.9-31.4179.2-66.4-63.69600113.4A64 R70 I72 I76 Q77 A78 Y304 V306A64-M74 HydrophobicContact CB-CE 3.56Å; R70-M74 HydrophobicContact CG-CG 3.98Å; R70-M74 WeakPolarHBondContact O-CB 3.48Å; R70-M74 VanDerWaalsContact O-CG 3.26Å; R70-M74 WeakPolarHBondContact O-CG 3.48Å; R70-M74 PolarHBondContact O-N 3.13Å; I72-M74 VanDerWaalsContact C-N 3.27Å; I72-M74 PolarHBondContact O-N 3.48Å; M74-I76 VanDerWaalsContact C-N 3.35Å; M74-Q77 HydrophobicContact CE-CB 4.06Å; M74-Q77 HydrophobicContact CE-CG 4.46Å; M74-Q77 PolarHBondContact O-N 3.08Å; M74-A78 PolarHBondContact O-N 2.8Å; M74-Y304 WeakPolarHBondContact CG-O 3.46Å; M74-V306 HydrophobicContact CB-CG2 4.37Å; M74-V306 VanDerWaalsContact O-CG2 3.25Å; M74-V306 WeakPolarHBondContact O-CG2 3.45Å; M74-V306 HydrophobicContact SD-CG2 4.44Å
75V98.6Very high94.3Very high0 Ų020 Ų200%010%0.1CC..Hα-helixtrans-66.4-41.1169.9-178.80000110.7A71 I72 A78 R79 L227 L230 L231 V297A71-V75 WeakPolarHBondContact O-CG2 3.07Å; A71-V75 PolarHBondContact O-N 2.85Å; I72-V75 PolarHBondContact O-N 3.44Å; V75-A78 PolarHBondContact O-N 2.73Å; V75-R79 PolarHBondContact O-N 3.15Å; V75-R79 VanDerWaalsContact O-N 3.11Å; V75-L227 HydrophobicContact CG2-CD2 3.98Å; V75-L230 HydrophobicContact CB-CB 4.25Å; V75-L230 HydrophobicContact CB-CD1 4.24Å; V75-L230 HydrophobicContact CG1-CB 3.62Å; V75-L230 HydrophobicContact CG2-CB 4.43Å; V75-L230 HydrophobicContact CG2-CD1 4.19Å; V75-L231 HydrophobicContact CG1-CD2 3.9Å; V75-L231 HydrophobicContact CG1-CG 4.25Å; V75-V297 HydrophobicContact CB-CG2 4.29Å; V75-V297 HydrophobicContact CG1-CG2 4.49Å; V75-V297 HydrophobicContact CG2-CG1 4.17Å; V75-V297 HydrophobicContact CG2-CG2 4.01Å
76I98.8Very high94.7Very high0 Ų017.2 Ų17.20%08%0.084CC..Hα-helixtrans-66.7-39.6174.9-62.3-50.9000111.5F49 L62 I72 Q73 M74 A78 R79 I80 L112 A115 L116 S119 F188F49-I76 HydrophobicContact CD1-CB 4.38Å; F49-I76 HydrophobicContact CD1-CG2 4.13Å; F49-I76 HydrophobicContact CE1-CB 3.92Å; F49-I76 HydrophobicContact CE1-CG1 3.72Å; F49-I76 HydrophobicContact CE1-CG2 4.04Å; F49-I76 HydrophobicContact CZ-CG1 4.15Å; L62-I76 HydrophobicContact CD1-CB 4.43Å; L62-I76 HydrophobicContact CD1-CG2 4.11Å; I72-I76 HydrophobicContact CG2-CG1 4.5Å; I72-I76 WeakPolarHBondContact O-CG1 3.32Å; I72-I76 PolarHBondContact O-N 2.6Å; Q73-I76 PolarHBondContact O-N 2.99Å; M74-I76 VanDerWaalsContact C-N 3.35Å; I76-A78 VanDerWaalsContact C-N 3.3Å; I76-A78 PolarHBondContact O-N 2.76Å; I76-R79 CarbonylContact O-C 3.5Å; I76-R79 PolarHBondContact O-N 3.34Å; I76-R79 VanDerWaalsContact O-N 3.09Å; I76-I80 HydrophobicContact CG2-CD1 3.92Å; I76-I80 HydrophobicContact CG2-CG1 4.34Å; I76-I80 WeakPolarHBondContact O-CG1 3.26Å; I76-I80 PolarHBondContact O-N 3.26Å; I76-L112 HydrophobicContact CG2-CD1 3.94Å; I76-A115 HydrophobicContact CG2-CB 4.04Å; I76-L116 HydrophobicContact CD1-CD2 4.13Å; I76-L116 HydrophobicContact CG1-CD2 4.16Å; I76-L116 HydrophobicContact CG2-CD2 4.09Å; I76-S119 WeakPolarHBondContact CD1-OG 3.45Å; I76-F188 HydrophobicContact CD1-CE1 3.7Å; I76-F188 HydrophobicContact CD1-CZ 3.64Å; I76-F188 HydrophobicContact CG1-CE1 3.99Å; I76-F188 HydrophobicContact CG1-CZ 4.39Å
77Q98.4Very high95Very high1 Ų110.2 Ų10.21%0.0057%0.065CC..Hα-helixtrans-56.1-45.1172.9179.358.635.200111.6Y60 L62 Q73 M74 R79 I80 I81 V306Y60-Q77 PolarHBondContact O-NE2 3.27Å; Y60-Q77 PolarHBondContact O-OE1 2.93Å; L62-Q77 HydrophobicContact CD1-CB 4.42Å; Q73-Q77 WeakPolarHBondContact O-CB 3.35Å; Q73-Q77 PolarHBondContact O-N 3.1Å; M74-Q77 HydrophobicContact CE-CB 4.06Å; M74-Q77 HydrophobicContact CE-CG 4.46Å; M74-Q77 PolarHBondContact O-N 3.08Å; Q77-R79 VanDerWaalsContact C-N 3.32Å; Q77-R79 PolarHBondContact O-N 3.12Å; Q77-I80 WeakPolarHBondContact O-CB 3.26Å; Q77-I80 PolarHBondContact O-N 3.5Å; Q77-I81 HydrophobicContact CG-CD1 4.27Å; Q77-I81 WeakPolarHBondContact O-CG1 3.36Å; Q77-I81 PolarHBondContact O-N 2.68Å; Q77-V306 HydrophobicContact CB-CG2 4.01Å; Q77-V306 HydrophobicContact CG-CG2 3.89Å
78A98.6Very high94.5Very high0 Ų010.8 Ų10.80%06%0.057CC..Hα-helixtrans-63.3-38.917700000112M74 V75 I76 I81 K82 V266 V295 V297 V306M74-A78 PolarHBondContact O-N 2.8Å; V75-A78 PolarHBondContact O-N 2.73Å; I76-A78 VanDerWaalsContact C-N 3.3Å; I76-A78 PolarHBondContact O-N 2.76Å; A78-I81 PolarHBondContact O-N 2.66Å; A78-K82 PolarHBondContact O-N 3.2Å; A78-V266 HydrophobicContact CB-CG1 3.56Å; A78-V295 HydrophobicContact CB-CG1 3.81Å; A78-V295 WeakPolarHBondContact O-CG1 3.21Å; A78-V297 HydrophobicContact CB-CG2 3.65Å; A78-V306 HydrophobicContact CB-CG1 3.84Å; A78-V306 HydrophobicContact CB-CG2 3.96Å
79R98.4Very high93.1Very high4 Ų416.6 Ų16.62%0.0159%0.094CC..Hα-helixtrans-69-35.7174.7-71.9179.3170.4-89.5-5.8113.1V75 I76 Q77 K82 F83 A115 S119 L230 L231 V266V75-R79 PolarHBondContact O-N 3.15Å; V75-R79 VanDerWaalsContact O-N 3.11Å; I76-R79 CarbonylContact O-C 3.5Å; I76-R79 PolarHBondContact O-N 3.34Å; I76-R79 VanDerWaalsContact O-N 3.09Å; Q77-R79 VanDerWaalsContact C-N 3.32Å; Q77-R79 PolarHBondContact O-N 3.12Å; R79-K82 WeakPolarHBondContact O-CB 3.28Å; R79-K82 PolarHBondContact O-N 3.23Å; R79-F83 PolarHBondContact O-N 2.98Å; R79-A115 HydrophobicContact CB-CB 3.79Å; R79-S119 WeakPolarHBondContact CD-OG 3.45Å; R79-S119 PolarHBondContact NE-OG 2.95Å; R79-L230 VanDerWaalsContact CZ-O 3.29Å; R79-L230 PolarHBondContact NE-O 3.13Å; R79-L230 VanDerWaalsContact NE-O 3.12Å; R79-L230 PolarHBondContact NH2-O 2.95Å; R79-L231 PolarHBondContact NH2-O 3.38Å; R79-V266 HydrophobicContact CG-CG2 4.18Å
80I98.1Very high91.4Very high0 Ų020.5 Ų20.50%013%0.134CC..Hα-helixtrans-59.9-50.4171.3-74.3164.1000109.6F51 L62 I76 Q77 K82 F83 L84 A111 L112 A115F51-I80 HydrophobicContact CE1-CD1 4.11Å; F51-I80 HydrophobicContact CE1-CG2 4.09Å; F51-I80 HydrophobicContact CZ-CD1 3.7Å; F51-I80 HydrophobicContact CZ-CG1 4.4Å; F51-I80 HydrophobicContact CZ-CG2 4.24Å; L62-I80 HydrophobicContact CD1-CD1 3.66Å; L62-I80 HydrophobicContact CD2-CD1 4.15Å; L62-I80 HydrophobicContact CG-CD1 3.85Å; I76-I80 HydrophobicContact CG2-CD1 3.92Å; I76-I80 HydrophobicContact CG2-CG1 4.34Å; I76-I80 WeakPolarHBondContact O-CG1 3.26Å; I76-I80 PolarHBondContact O-N 3.26Å; Q77-I80 WeakPolarHBondContact O-CB 3.26Å; Q77-I80 PolarHBondContact O-N 3.5Å; I80-K82 VanDerWaalsContact C-N 3.34Å; I80-K82 PolarHBondContact O-N 3.21Å; I80-F83 PolarHBondContact O-N 3.26Å; I80-L84 HydrophobicContact CG2-CD1 3.54Å; I80-L84 HydrophobicContact CG2-CG 4.19Å; I80-L84 VanDerWaalsContact O-CB 3.31Å; I80-L84 WeakPolarHBondContact O-CB 3.48Å; I80-L84 VanDerWaalsContact O-CG 3.27Å; I80-L84 WeakPolarHBondContact O-CG 3.27Å; I80-L84 PolarHBondContact O-N 3.29Å; I80-A111 HydrophobicContact CG2-CB 4.19Å; I80-L112 HydrophobicContact CD1-CD1 4.2Å; I80-A115 HydrophobicContact CG1-CB 3.64Å
81I96.9Very high89.5Confident0 Ų023.6 Ų23.60%015%0.151CC..Hα-helixtrans-60.3-43.4177.2-68.9172.7000110.9Y60 Q77 A78 F83 L84 L85 V295 V306 F308Y60-I81 HydrophobicContact CD2-CD1 4.24Å; Y60-I81 HydrophobicContact CD2-CG1 3.98Å; Y60-I81 HydrophobicContact CE2-CD1 3.95Å; Y60-I81 HydrophobicContact CE2-CG1 4.16Å; Q77-I81 HydrophobicContact CG-CD1 4.27Å; Q77-I81 WeakPolarHBondContact O-CG1 3.36Å; Q77-I81 PolarHBondContact O-N 2.68Å; A78-I81 PolarHBondContact O-N 2.66Å; I81-F83 VanDerWaalsContact C-N 3.35Å; I81-F83 PolarHBondContact O-N 3.29Å; I81-L84 CarbonylContact O-C 3.54Å; I81-L84 PolarHBondContact O-N 3.08Å; I81-L85 HydrophobicContact CG2-CD1 3.58Å; I81-L85 HydrophobicContact CG2-CG 4.16Å; I81-L85 VanDerWaalsContact O-CB 3.31Å; I81-L85 WeakPolarHBondContact O-CB 3.31Å; I81-L85 VanDerWaalsContact O-CG 3.31Å; I81-L85 WeakPolarHBondContact O-CG 3.37Å; I81-L85 PolarHBondContact O-N 3.45Å; I81-V295 HydrophobicContact CB-CG1 4.45Å; I81-V295 HydrophobicContact CG2-CG1 4.29Å; I81-V295 HydrophobicContact CG2-CG2 4.18Å; I81-V306 HydrophobicContact CD1-CG1 3.92Å; I81-F308 HydrophobicContact CD1-CD1 3.81Å; I81-F308 HydrophobicContact CD1-CE1 3.82Å; I81-F308 HydrophobicContact CD1-CG 4.44Å; I81-F308 HydrophobicContact CD1-CZ 4.44Å; I81-F308 HydrophobicContact CG2-CB 4.09Å; I81-F308 HydrophobicContact CG2-CD1 4.21Å; I81-F308 HydrophobicContact CG2-CD2 3.81Å; I81-F308 HydrophobicContact CG2-CE2 4.24Å; I81-F308 HydrophobicContact CG2-CG 3.79Å
82K96.3Very high87.4Confident4 Ų429.3 Ų29.32%0.01719%0.186CC..Hα-helixtrans-54.2-51.3173.9-175.5-160.179.2174.10111.1A78 R79 I80 L85 F86 D118 D265 V266 F293A78-K82 PolarHBondContact O-N 3.2Å; R79-K82 WeakPolarHBondContact O-CB 3.28Å; R79-K82 PolarHBondContact O-N 3.23Å; I80-K82 VanDerWaalsContact C-N 3.34Å; I80-K82 PolarHBondContact O-N 3.21Å; K82-L85 PolarHBondContact O-N 3.24Å; K82-F86 HydrophobicContact CG-CD2 4.45Å; K82-F86 PolarHBondContact O-N 3.34Å; K82-D118 IonicContact NZ-OD2 3.4Å; K82-D118 PolarHBondContact NZ-OD2 2.98Å; K82-D265 HydrophobicContact CD-CB 4Å; K82-D265 IonicContact NZ-OD2 2.76Å; K82-D265 PolarHBondContact NZ-OD2 2.86Å; K82-V266 HydrophobicContact CB-CG2 4.22Å; K82-V266 HydrophobicContact CD-CG2 4.14Å; K82-F293 HydrophobicContact CD-CD2 3.7Å; K82-F293 HydrophobicContact CD-CE2 4.05Å; K82-F293 HydrophobicContact CD-CG 4.34Å; K82-F293 HydrophobicContact CG-CB 4.13Å; K82-F293 HydrophobicContact CG-CD2 3.79Å; K82-F293 HydrophobicContact CG-CE2 4.34Å; K82-F293 HydrophobicContact CG-CG 3.9Å
83F95.4Very high85.3Confident35 Ų3537.3 Ų37.315%0.15423%0.229CC..Hα-helixtrans-61.4-49.2-179.3173.6-98.2000111.8R79 I80 I81 L85 S87 Q88 A111 A114R79-F83 PolarHBondContact O-N 2.98Å; I80-F83 PolarHBondContact O-N 3.26Å; I81-F83 VanDerWaalsContact C-N 3.35Å; I81-F83 PolarHBondContact O-N 3.29Å; F83-L85 PolarHBondContact O-N 2.92Å; F83-S87 PolarHBondContact O-N 3.26Å; F83-Q88 HydrophobicContact CE1-CG 4.04Å; F83-Q88 HydrophobicContact CE2-CG 4.49Å; F83-Q88 HydrophobicContact CZ-CG 3.98Å; F83-A111 HydrophobicContact CD1-CB 3.77Å; F83-A111 HydrophobicContact CE1-CB 4.06Å; F83-A114 HydrophobicContact CD1-CB 4.18Å; F83-A114 HydrophobicContact CD2-CB 3.48Å; F83-A114 VanDerWaalsContact CD2-CB 3.48Å; F83-A114 HydrophobicContact CE1-CB 4.23Å; F83-A114 HydrophobicContact CE2-CB 3.55Å; F83-A114 HydrophobicContact CG-CB 3.82Å; F83-A114 HydrophobicContact CZ-CB 3.92Å
84L93.9Very high83.3Confident1 Ų147.6 Ų47.61%0.00527%0.267CS..Hα-helixtrans-69.2-10.4179-70.8175.2000114I80 I81 R95 L100 L103 A111I80-L84 HydrophobicContact CG2-CD1 3.54Å; I80-L84 HydrophobicContact CG2-CG 4.19Å; I80-L84 VanDerWaalsContact O-CB 3.31Å; I80-L84 WeakPolarHBondContact O-CB 3.48Å; I80-L84 VanDerWaalsContact O-CG 3.27Å; I80-L84 WeakPolarHBondContact O-CG 3.27Å; I80-L84 PolarHBondContact O-N 3.29Å; I81-L84 CarbonylContact O-C 3.54Å; I81-L84 PolarHBondContact O-N 3.08Å; L84-R95 VanDerWaalsContact C-CZ 3.49Å; L84-R95 WeakPolarHBondContact O-CD 3.26Å; L84-R95 PolarHBondContact O-NE 3.15Å; L84-R95 VanDerWaalsContact O-NE 3.11Å; L84-R95 PolarHBondContact O-NH1 2.92Å; L84-R95 PolarHBondContact O-NH2 3.46Å; L84-L100 HydrophobicContact CB-CD2 3.84Å; L84-L100 HydrophobicContact CD1-CD2 4.32Å; L84-L103 HydrophobicContact CD1-CD1 3.54Å; L84-L103 HydrophobicContact CD2-CD1 3.99Å; L84-L103 HydrophobicContact CD2-CD2 4.12Å; L84-L103 HydrophobicContact CG-CD1 4.42Å; L84-A111 HydrophobicContact CD1-CB 4.4Å; L84-A111 HydrophobicContact CD2-CB 3.84Å; L84-A111 HydrophobicContact CG-CB 3.97Å
85L92.4Very high81.9Confident11 Ų1149.4 Ų49.46%0.05827%0.274CS..Hα-helixtrans-106.4-40.5174.9-70.7179.9000111.8I81 K82 F83 R95 L100 F308 L310I81-L85 HydrophobicContact CG2-CD1 3.58Å; I81-L85 HydrophobicContact CG2-CG 4.16Å; I81-L85 VanDerWaalsContact O-CB 3.31Å; I81-L85 WeakPolarHBondContact O-CB 3.31Å; I81-L85 VanDerWaalsContact O-CG 3.31Å; I81-L85 WeakPolarHBondContact O-CG 3.37Å; I81-L85 PolarHBondContact O-N 3.45Å; K82-L85 PolarHBondContact O-N 3.24Å; F83-L85 PolarHBondContact O-N 2.92Å; L85-R95 HydrophobicContact CD2-CB 4.06Å; L85-R95 PolarHBondContact O-NE 2.92Å; L85-R95 PolarHBondContact O-NH2 3.31Å; L85-L100 HydrophobicContact CD2-CD1 4.07Å; L85-L100 HydrophobicContact CD2-CD2 3.92Å; L85-L100 HydrophobicContact CD2-CG 4.24Å; L85-L100 HydrophobicContact CG-CD2 4.45Å; L85-F308 HydrophobicContact CD1-CD2 3.74Å; L85-F308 HydrophobicContact CD1-CE2 4.13Å; L85-L310 HydrophobicContact CD1-CD2 4.09Å; L85-L310 HydrophobicContact CD2-CD2 3.63Å
86F90.8Very high80.7Confident33 Ų3352.6 Ų52.615%0.14529%0.294CS..Hα-helixtrans-129.1-7.2-160-49.8-61.3000115.8K82 F293 P294 V295 R312K82-F86 HydrophobicContact CG-CD2 4.45Å; K82-F86 PolarHBondContact O-N 3.34Å; F86-F293 HydrophobicContact CB-CD1 3.53Å; F86-F293 HydrophobicContact CB-CE1 3.5Å; F86-F293 VanDerWaalsContact CB-CE1 3.5Å; F86-F293 HydrophobicContact CD1-CD1 4.4Å; F86-F293 HydrophobicContact CD2-CB 3.87Å; F86-F293 AromaticContact CD2-CD1 3.47Å; F86-F293 HydrophobicContact CD2-CD1 3.47Å; F86-F293 VanDerWaalsContact CD2-CD1 3.47Å; F86-F293 HydrophobicContact CD2-CE1 4.34Å; F86-F293 AromaticContact CD2-CG 3.96Å; F86-F293 HydrophobicContact CD2-CG 3.96Å; F86-F293 HydrophobicContact CE2-CB 4.06Å; F86-F293 HydrophobicContact CE2-CD1 4.29Å; F86-F293 AromaticContact CG-CD1 3.54Å; F86-F293 HydrophobicContact CG-CD1 3.54Å; F86-F293 HydrophobicContact CG-CE1 4.04Å; F86-F293 HydrophobicContact CG-CG 4.45Å; F86-P294 HydrophobicContact CE2-CG 4.25Å; F86-P294 HydrophobicContact CZ-CG 3.85Å; F86-V295 HydrophobicContact CE2-CG2 3.97Å; F86-R312 HydrophobicContact CD1-CB 3.92Å; F86-R312 HydrophobicContact CD1-CG 4.06Å; F86-R312 HydrophobicContact CE1-CB 3.67Å; F86-R312 HydrophobicContact CE1-CG 4.21Å
87S84.4Confident79.7Confident51 Ų5154.2 Ų54.236%0.35730%0.303SS..THydrogen-bonded Turntrans-114.3-8.8-171.1-53.10000115.4F83F83-S87 PolarHBondContact O-N 3.26Å
88Q75.4Confident78.7Confident52 Ų5259.6 Ų59.624%0.24333%0.328CS..SBendtrans-80.9130178.7-75.2175.1-16.200111.4F83 I91F83-Q88 HydrophobicContact CE1-CG 4.04Å; F83-Q88 HydrophobicContact CE2-CG 4.49Å; F83-Q88 HydrophobicContact CZ-CG 3.98Å; Q88-I91 HydrophobicContact CB-CD1 3.29Å; Q88-I91 HydrophobicContact CB-CG1 4.42Å; Q88-I91 HydrophobicContact CG-CD1 4.3Å
89P58.3Low77.9Confident127 Ų12762.3 Ų62.383%0.82535%0.347SS*.THydrogen-bonded Turntrans-69.3141.4-178.925.7-31.6000112.2
90G58.1Low77.3Confident86 Ų8662.2 Ų62.289%0.88735%0.347SS*.THydrogen-bonded Turntrans90.313.7174.100000116.2
91I56.6Low76.5Confident76 Ų7663 Ų6339%0.3935%0.352SS..  trans-104.3119.4-171.3-65.6172.5000111.4Q88 R95Q88-I91 HydrophobicContact CB-CD1 3.29Å; Q88-I91 HydrophobicContact CB-CG1 4.42Å; Q88-I91 HydrophobicContact CG-CD1 4.3Å; I91-R95 VanDerWaalsContact CD1-CZ 3.41Å; I91-R95 HydrophobicContact CG2-CG 4.11Å
92T52.6Low75.9Confident122 Ų12268.4 Ų68.475%0.74838%0.378SS*.  trans-68.5149.6175.444.30000111.9R94T92-R94 PolarHBondContact O-N 3.37Å
93D53.9Low75.7Confident168 Ų16868.8 Ų68.890%0.89838%0.38SS*.SBendtrans-53.15.1-164.5-114.4-14.4000119.2
94R55.8Low75.5Confident228 Ų22871.7 Ų71.786%0.8639%0.394SS*.  trans-134.372-171.1-144.5173.5-176.1178.30.6113T92T92-R94 PolarHBondContact O-N 3.37Å
95R68.5Low75.6Confident39 Ų3975.2 Ų75.215%0.14741%0.41CS..  trans-72.8140.1164.5-67.5-159.7-152.8-13512.2110.3L84 L85 I91L84-R95 VanDerWaalsContact C-CZ 3.49Å; L84-R95 WeakPolarHBondContact O-CD 3.26Å; L84-R95 PolarHBondContact O-NE 3.15Å; L84-R95 VanDerWaalsContact O-NE 3.11Å; L84-R95 PolarHBondContact O-NH1 2.92Å; L84-R95 PolarHBondContact O-NH2 3.46Å; L85-R95 HydrophobicContact CD2-CB 4.06Å; L85-R95 PolarHBondContact O-NE 2.92Å; L85-R95 PolarHBondContact O-NH2 3.31Å; I91-R95 VanDerWaalsContact CD1-CZ 3.41Å; I91-R95 HydrophobicContact CG2-CG 4.11Å
96T74.3Confident75.7Confident67 Ų6783.3 Ų83.341%0.41144%0.44SS..  trans-108.4162.717260.90000108.9H98 S99T96-H98 PolarHBondContact O-N 2.91Å; T96-S99 WeakPolarHBondContact O-CB 3.36Å; T96-S99 PolarHBondContact O-N 2.86Å; T96-S99 PolarHBondContact OG1-N 3.49Å; T96-S99 PolarHBondContact OG1-OG 3.2Å
97V76.2Confident75.9Confident33 Ų3384 Ų8420%0.245%0.445CS..Hα-helixtrans-55.9-36.2170-179.30000110.9S99 L100 S101 L310 F327V97-S99 PolarHBondContact O-N 2.81Å; V97-L100 WeakPolarHBondContact O-CA 3.32Å; V97-L100 VanDerWaalsContact O-CB 3.31Å; V97-L100 WeakPolarHBondContact O-CB 3.3Å; V97-L100 PolarHBondContact O-N 3.1Å; V97-S101 PolarHBondContact O-N 2.7Å; V97-S101 VanDerWaalsContact O-N 3.15Å; V97-S101 PolarHBondContact O-OG 3.31Å; V97-L310 HydrophobicContact CG2-CD1 4.03Å; V97-F327 HydrophobicContact CG2-CD1 3.5Å; V97-F327 HydrophobicContact CG2-CD2 4.48Å; V97-F327 HydrophobicContact CG2-CE1 3.15Å; V97-F327 HydrophobicContact CG2-CE2 4.22Å; V97-F327 HydrophobicContact CG2-CG 4.17Å; V97-F327 HydrophobicContact CG2-CZ 3.55Å
98H77.8Confident76.5Confident114 Ų11481.7 Ų81.753%0.52843%0.429SS..Hα-helixtrans-57.2-34.5177-171.9-74.8000112.9T96 L100 S101 Q102T96-H98 PolarHBondContact O-N 2.91Å; H98-L100 PolarHBondContact O-N 2.96Å; H98-S101 PolarHBondContact O-N 2.88Å; H98-S101 VanDerWaalsContact O-N 3.15Å; H98-Q102 PolarHBondContact CE1-NE2 2.92Å; H98-Q102 PolarHBondContact CE1-OE1 3Å; H98-Q102 VanDerWaalsContact CE1-OE1 3.24Å; H98-Q102 PolarHBondContact ND1-OE1 2.92Å
99S82Confident77.6Confident57 Ų5780.2 Ų80.240%0.39942%0.423SS..Hα-helixtrans-66.9-25174.9-51.50000113T96 V97T96-S99 WeakPolarHBondContact O-CB 3.36Å; T96-S99 PolarHBondContact O-N 2.86Å; T96-S99 PolarHBondContact OG1-N 3.49Å; T96-S99 PolarHBondContact OG1-OG 3.2Å; V97-S99 PolarHBondContact O-N 2.81Å
100L85.1Confident79.4Confident2 Ų277 Ų771%0.0140%0.396CS..Hα-helixtrans-82.6-22.9173.3-59.7177000112.2S59 Y60 L84 L85 V97 H98 Q102 L103 F308S59-L100 PolarHBondContact OG-O 3.27Å; Y60-L100 WeakPolarHBondContact CB-O 3.47Å; Y60-L100 HydrophobicContact CD1-CB 3.51Å; Y60-L100 VanDerWaalsContact CD1-O 3.3Å; Y60-L100 WeakPolarHBondContact CD1-O 3.27Å; Y60-L100 HydrophobicContact CD2-CB 4.46Å; Y60-L100 HydrophobicContact CD2-CD1 4.38Å; Y60-L100 HydrophobicContact CE1-CB 3.88Å; Y60-L100 HydrophobicContact CE1-CD1 4.48Å; Y60-L100 HydrophobicContact CE2-CD1 4.26Å; Y60-L100 HydrophobicContact CG-CB 3.81Å; L84-L100 HydrophobicContact CB-CD2 3.84Å; L84-L100 HydrophobicContact CD1-CD2 4.32Å; L85-L100 HydrophobicContact CD2-CD1 4.07Å; L85-L100 HydrophobicContact CD2-CD2 3.92Å; L85-L100 HydrophobicContact CD2-CG 4.24Å; L85-L100 HydrophobicContact CG-CD2 4.45Å; V97-L100 WeakPolarHBondContact O-CA 3.32Å; V97-L100 VanDerWaalsContact O-CB 3.31Å; V97-L100 WeakPolarHBondContact O-CB 3.3Å; V97-L100 PolarHBondContact O-N 3.1Å; H98-L100 PolarHBondContact O-N 2.96Å; L100-Q102 VanDerWaalsContact C-N 3.34Å; L100-L103 WeakPolarHBondContact O-CG 3.49Å; L100-F308 HydrophobicContact CD1-CE2 3.97Å; L100-F308 HydrophobicContact CD1-CZ 4.12Å
101S83Confident81.3Confident17 Ų1772.9 Ų72.912%0.11935%0.354CS..SBendtrans-84.70.4-178.6-58.50000114.6S56 E57 S59 V97 H98S56-S101 CarbonylContact C-O 3.47Å; S56-S101 CarbonylContact O-C 3.58Å; E57-S101 VanDerWaalsContact O-CB 3.32Å; E57-S101 WeakPolarHBondContact O-CB 3.45Å; E57-S101 PolarHBondContact O-OG 3.15Å; S59-S101 PolarHBondContact OG-O 3.17Å; V97-S101 PolarHBondContact O-N 2.7Å; V97-S101 VanDerWaalsContact O-N 3.15Å; V97-S101 PolarHBondContact O-OG 3.31Å; H98-S101 PolarHBondContact O-N 2.88Å; H98-S101 VanDerWaalsContact O-N 3.15Å
102Q83.8Confident83.3Confident113 Ų11369.3 Ų69.353%0.52834%0.335SS..  trans-121.436.6-177.7-63.5-172.2-50.300111.9H98 L100 Q104H98-Q102 PolarHBondContact CE1-NE2 2.92Å; H98-Q102 PolarHBondContact CE1-OE1 3Å; H98-Q102 VanDerWaalsContact CE1-OE1 3.24Å; H98-Q102 PolarHBondContact ND1-OE1 2.92Å; L100-Q102 VanDerWaalsContact C-N 3.34Å; Q102-Q104 PolarHBondContact O-N 2.88Å
103L90.8Very high85.5Confident13 Ų1363.5 Ų63.57%0.06830%0.299CS..  trans-81.2124.8179.9-62.3-178.4000110.5P54 D55 S59 L84 L100 D107 Q108P54-L103 WeakPolarHBondContact CA-O 3.42Å; D55-L103 PolarHBondContact N-O 2.94Å; S59-L103 PolarHBondContact OG-N 2.88Å; L84-L103 HydrophobicContact CD1-CD1 3.54Å; L84-L103 HydrophobicContact CD2-CD1 3.99Å; L84-L103 HydrophobicContact CD2-CD2 4.12Å; L84-L103 HydrophobicContact CG-CD1 4.42Å; L100-L103 WeakPolarHBondContact O-CG 3.49Å; L103-D107 HydrophobicContact CD2-CB 4.11Å; L103-Q108 HydrophobicContact CB-CG 4.17Å
104Q92.8Very high87.6Confident95 Ų9555.7 Ų55.744%0.44426%0.258SS..  trans-75.3160.2168.2-63.1-67.6-36.500110.1D55 Q102 R106 D107 Q108D55-Q104 PolarHBondContact OD1-NE2 2.88Å; D55-Q104 PolarHBondContact OD2-NE2 2.8Å; Q102-Q104 PolarHBondContact O-N 2.88Å; Q104-R106 PolarHBondContact O-N 2.9Å; Q104-R106 VanDerWaalsContact O-N 3.1Å; Q104-D107 PolarHBondContact O-N 2.88Å; Q104-Q108 PolarHBondContact O-N 2.85Å; Q104-Q108 VanDerWaalsContact O-N 3.07Å
105Q95.2Very high89.6Confident76 Ų7644.8 Ų44.836%0.35522%0.217SC..Hα-helixtrans-52.4-38.1177.4-174.163.764.600112.7P54 D107 Q108 D109P54-Q105 HydrophobicContact CG-CB 4.26Å; Q105-D107 VanDerWaalsContact C-N 3.31Å; Q105-D107 PolarHBondContact O-N 2.82Å; Q105-Q108 WeakPolarHBondContact O-CB 3.31Å; Q105-Q108 PolarHBondContact O-N 3.42Å; Q105-D109 PolarHBondContact NE2-OD1 3.48Å; Q105-D109 PolarHBondContact O-N 2.96Å
106R95.1Very high91.1Very high180 Ų18043 Ų4368%0.67921%0.21SC*.Hα-helixtrans-65-35178.9-173.1179.1-178.4-171.70.8112.4Q104 K110Q104-R106 PolarHBondContact O-N 2.9Å; Q104-R106 VanDerWaalsContact O-N 3.1Å; R106-K110 VanDerWaalsContact O-CG 3.27Å; R106-K110 WeakPolarHBondContact O-CG 3.38Å; R106-K110 PolarHBondContact O-N 2.96Å; R106-K110 VanDerWaalsContact O-N 3.16Å
107D94.4Very high92.3Very high48 Ų4839.9 Ų39.926%0.25719%0.191SC..Hα-helixtrans-77.9-37.5-179.7-61-47.3000111.2L103 Q104 Q105 K110 A111L103-D107 HydrophobicContact CD2-CB 4.11Å; Q104-D107 PolarHBondContact O-N 2.88Å; Q105-D107 VanDerWaalsContact C-N 3.31Å; Q105-D107 PolarHBondContact O-N 2.82Å; D107-K110 PolarHBondContact O-N 3.33Å; D107-A111 VanDerWaalsContact O-CB 3.26Å; D107-A111 WeakPolarHBondContact O-CB 3.46Å; D107-A111 PolarHBondContact O-N 2.97Å
108Q97Very high93.3Very high2 Ų239.5 Ų39.51%0.00919%0.188CC..Hα-helixtrans-55.8-49168.7-71.3179.2-18.900111.3F51 R52 S59 L103 Q104 Q105 K110 A111 L112F51-Q108 HydrophobicContact CB-CG 4.25Å; F51-Q108 HydrophobicContact CD1-CB 4.34Å; F51-Q108 HydrophobicContact CD1-CG 3.96Å; F51-Q108 HydrophobicContact CD2-CB 3.7Å; F51-Q108 HydrophobicContact CD2-CG 4.1Å; F51-Q108 HydrophobicContact CE1-CB 4.38Å; F51-Q108 HydrophobicContact CE1-CG 4.26Å; F51-Q108 HydrophobicContact CE2-CB 3.7Å; F51-Q108 HydrophobicContact CE2-CG 4.36Å; F51-Q108 VanDerWaalsContact CE2-O 3.31Å; F51-Q108 WeakPolarHBondContact CE2-O 3.49Å; F51-Q108 HydrophobicContact CG-CB 4Å; F51-Q108 HydrophobicContact CG-CG 3.86Å; F51-Q108 HydrophobicContact CZ-CB 4.06Å; F51-Q108 HydrophobicContact CZ-CG 4.45Å; F51-Q108 WeakPolarHBondContact CZ-O 3.3Å; R52-Q108 PolarHBondContact O-NE2 3.46Å; S59-Q108 PolarHBondContact O-NE2 3.39Å; L103-Q108 HydrophobicContact CB-CG 4.17Å; Q104-Q108 PolarHBondContact O-N 2.85Å; Q104-Q108 VanDerWaalsContact O-N 3.07Å; Q105-Q108 WeakPolarHBondContact O-CB 3.31Å; Q105-Q108 PolarHBondContact O-N 3.42Å; Q108-K110 PolarHBondContact O-N 3.29Å; Q108-A111 PolarHBondContact O-N 3.2Å; Q108-L112 WeakPolarHBondContact O-CB 3.36Å; Q108-L112 PolarHBondContact O-N 3.5Å
109D97.8Very high94.3Very high22 Ų2234.1 Ų34.112%0.11816%0.164CC..Hα-helixtrans-63.2-44.3-178.1-70.40.6000111.8Q105 A111 A113 L171 I174 K178Q105-D109 PolarHBondContact NE2-OD1 3.48Å; Q105-D109 PolarHBondContact O-N 2.96Å; D109-A111 VanDerWaalsContact C-N 3.35Å; D109-A111 PolarHBondContact O-N 3.26Å; D109-A113 VanDerWaalsContact O-CB 3.28Å; D109-A113 WeakPolarHBondContact O-CB 3.44Å; D109-A113 PolarHBondContact O-N 2.9Å; D109-L171 HydrophobicContact CB-CD1 4.05Å; D109-I174 HydrophobicContact CB-CG1 4.39Å; D109-K178 IonicContact OD1-NZ 2.65Å; D109-K178 PolarHBondContact OD1-NZ 2.87Å; D109-K178 IonicContact OD2-NZ 2.87Å; D109-K178 PolarHBondContact OD2-NZ 3.46Å
110K97.3Very high95.1Very high59 Ų5931.5 Ų31.526%0.25715%0.145SC..Hα-helixtrans-62.4-41.8174.7-72.5171.9-176.9169.70112.1R106 D107 Q108 A114 W167R106-K110 VanDerWaalsContact O-CG 3.27Å; R106-K110 WeakPolarHBondContact O-CG 3.38Å; R106-K110 PolarHBondContact O-N 2.96Å; R106-K110 VanDerWaalsContact O-N 3.16Å; D107-K110 PolarHBondContact O-N 3.33Å; Q108-K110 PolarHBondContact O-N 3.29Å; K110-A114 VanDerWaalsContact O-CB 3.26Å; K110-A114 WeakPolarHBondContact O-CB 3.17Å; K110-A114 PolarHBondContact O-N 2.7Å; K110-W167 HydrophobicContact CB-CZ2 4.41Å; K110-W167 HydrophobicContact CG-CZ2 4.16Å
111A97.4Very high95.7Very high0 Ų032.7 Ų32.70%015%0.149CC..Hα-helixtrans-68.6-41.5-178.500000112I80 F83 L84 D107 Q108 D109 A114 A115I80-A111 HydrophobicContact CG2-CB 4.19Å; F83-A111 HydrophobicContact CD1-CB 3.77Å; F83-A111 HydrophobicContact CE1-CB 4.06Å; L84-A111 HydrophobicContact CD1-CB 4.4Å; L84-A111 HydrophobicContact CD2-CB 3.84Å; L84-A111 HydrophobicContact CG-CB 3.97Å; D107-A111 VanDerWaalsContact O-CB 3.26Å; D107-A111 WeakPolarHBondContact O-CB 3.46Å; D107-A111 PolarHBondContact O-N 2.97Å; Q108-A111 PolarHBondContact O-N 3.2Å; D109-A111 VanDerWaalsContact C-N 3.35Å; D109-A111 PolarHBondContact O-N 3.26Å; A111-A114 PolarHBondContact O-N 3.45Å; A111-A115 WeakPolarHBondContact O-CB 3.37Å; A111-A115 PolarHBondContact O-N 2.9Å
112L98.7Very high96.5Very high0 Ų033.9 Ų33.90%015%0.154CC..Hα-helixtrans-65.6-47.9173.7177.262.8000111.1F49 F51 I76 I80 Q108 A114 A115 L116 I174 K178F49-L112 HydrophobicContact CB-CD1 3.71Å; F49-L112 HydrophobicContact CB-CD2 3.72Å; F49-L112 HydrophobicContact CB-CG 4.38Å; F49-L112 HydrophobicContact CD1-CD1 4.26Å; F49-L112 HydrophobicContact CD2-CD1 4.46Å; F49-L112 HydrophobicContact CG-CD1 3.91Å; F51-L112 HydrophobicContact CE2-CB 3.73Å; F51-L112 HydrophobicContact CE2-CD2 4.32Å; F51-L112 HydrophobicContact CZ-CB 4.14Å; I76-L112 HydrophobicContact CG2-CD1 3.94Å; I80-L112 HydrophobicContact CD1-CD1 4.2Å; Q108-L112 WeakPolarHBondContact O-CB 3.36Å; Q108-L112 PolarHBondContact O-N 3.5Å; L112-A114 VanDerWaalsContact C-N 3.27Å; L112-A114 PolarHBondContact O-N 3.18Å; L112-A115 PolarHBondContact O-N 2.96Å; L112-A115 VanDerWaalsContact O-N 3.15Å; L112-L116 HydrophobicContact CD1-CD1 3.91Å; L112-L116 HydrophobicContact CD1-CD2 4.16Å; L112-L116 HydrophobicContact CD1-CG 3.85Å; L112-L116 HydrophobicContact CG-CD1 3.93Å; L112-L116 HydrophobicContact CG-CG 4.26Å; L112-L116 VanDerWaalsContact O-CG 3.3Å; L112-L116 WeakPolarHBondContact O-CG 3.32Å; L112-L116 PolarHBondContact O-N 2.8Å; L112-I174 HydrophobicContact CB-CD1 4.27Å; L112-I174 HydrophobicContact CD2-CD1 3.76Å; L112-I174 HydrophobicContact CD2-CG1 4.31Å; L112-I174 HydrophobicContact CG-CD1 3.91Å; L112-K178 HydrophobicContact CD2-CB 4.01Å
113A98.7Very high97.1Very high0 Ų028.5 Ų28.50%013%0.129CC..Hα-helixtrans-56.1-43.6176.200000111.5D109 S117 I170 L171 I174D109-A113 VanDerWaalsContact O-CB 3.28Å; D109-A113 WeakPolarHBondContact O-CB 3.44Å; D109-A113 PolarHBondContact O-N 2.9Å; A113-S117 VanDerWaalsContact O-CB 3.27Å; A113-S117 WeakPolarHBondContact O-CB 3.33Å; A113-S117 PolarHBondContact O-N 2.9Å; A113-S117 PolarHBondContact O-OG 2.94Å; A113-I170 HydrophobicContact CB-CG2 4.03Å; A113-L171 HydrophobicContact CB-CB 3.94Å; A113-L171 HydrophobicContact CB-CD1 4.03Å; A113-I174 HydrophobicContact CB-CD1 4.32Å
114A98.2Very high97.5Very high4 Ų427.9 Ų27.93%0.03313%0.126CC..Hα-helixtrans-62.4-45.3175.900000112.7F83 K110 A111 L112 S117 D118F83-A114 HydrophobicContact CD1-CB 4.18Å; F83-A114 HydrophobicContact CD2-CB 3.48Å; F83-A114 VanDerWaalsContact CD2-CB 3.48Å; F83-A114 HydrophobicContact CE1-CB 4.23Å; F83-A114 HydrophobicContact CE2-CB 3.55Å; F83-A114 HydrophobicContact CG-CB 3.82Å; F83-A114 HydrophobicContact CZ-CB 3.92Å; K110-A114 VanDerWaalsContact O-CB 3.26Å; K110-A114 WeakPolarHBondContact O-CB 3.17Å; K110-A114 PolarHBondContact O-N 2.7Å; A111-A114 PolarHBondContact O-N 3.45Å; L112-A114 VanDerWaalsContact C-N 3.27Å; L112-A114 PolarHBondContact O-N 3.18Å; A114-S117 WeakPolarHBondContact CA-OG 3.43Å; A114-S117 PolarHBondContact O-OG 3.04Å; A114-S117 VanDerWaalsContact O-OG 3.08Å; A114-D118 WeakPolarHBondContact O-CB 3.34Å; A114-D118 PolarHBondContact O-N 2.87Å
115A98.7Very high97.7Very high0 Ų026.7 Ų26.70%012%0.12CC..Hα-helixtrans-66-41.9179.800000112.7I76 R79 I80 A111 L112 S119I76-A115 HydrophobicContact CG2-CB 4.04Å; R79-A115 HydrophobicContact CB-CB 3.79Å; I80-A115 HydrophobicContact CG1-CB 3.64Å; A111-A115 WeakPolarHBondContact O-CB 3.37Å; A111-A115 PolarHBondContact O-N 2.9Å; L112-A115 PolarHBondContact O-N 2.96Å; L112-A115 VanDerWaalsContact O-N 3.15Å; A115-S119 WeakPolarHBondContact O-CB 3.42Å; A115-S119 PolarHBondContact O-N 3.19Å; A115-S119 PolarHBondContact O-OG 2.93Å
116L98.9Very high97.8Very high0 Ų029 Ų290%013%0.131CC..Hα-helixtrans-66.9-50.1176.1-61.4178.3000110.4F49 I76 L112 D118 S119 L120 I170 F177 F188F49-L116 HydrophobicContact CD2-CD2 4.3Å; F49-L116 HydrophobicContact CE1-CD2 4.38Å; F49-L116 HydrophobicContact CE2-CD2 3.84Å; F49-L116 HydrophobicContact CZ-CD2 3.89Å; I76-L116 HydrophobicContact CD1-CD2 4.13Å; I76-L116 HydrophobicContact CG1-CD2 4.16Å; I76-L116 HydrophobicContact CG2-CD2 4.09Å; L112-L116 HydrophobicContact CD1-CD1 3.91Å; L112-L116 HydrophobicContact CD1-CD2 4.16Å; L112-L116 HydrophobicContact CD1-CG 3.85Å; L112-L116 HydrophobicContact CG-CD1 3.93Å; L112-L116 HydrophobicContact CG-CG 4.26Å; L112-L116 VanDerWaalsContact O-CG 3.3Å; L112-L116 WeakPolarHBondContact O-CG 3.32Å; L112-L116 PolarHBondContact O-N 2.8Å; L116-D118 PolarHBondContact O-N 2.62Å; L116-S119 WeakPolarHBondContact O-CB 3.37Å; L116-S119 PolarHBondContact O-N 3.35Å; L116-S119 VanDerWaalsContact O-N 3.13Å; L116-L120 WeakPolarHBondContact O-CG 3.35Å; L116-L120 PolarHBondContact O-N 3.03Å; L116-I170 HydrophobicContact CB-CD1 4.07Å; L116-I170 HydrophobicContact CB-CG2 4.33Å; L116-I170 HydrophobicContact CD1-CG2 4.06Å; L116-F177 HydrophobicContact CD1-CB 3.98Å; L116-F177 HydrophobicContact CD1-CD1 4.09Å; L116-F177 HydrophobicContact CD1-CD2 4.34Å; L116-F177 HydrophobicContact CD1-CG 3.86Å; L116-F188 HydrophobicContact CB-CD2 4.27Å; L116-F188 HydrophobicContact CB-CE2 4.17Å; L116-F188 HydrophobicContact CD2-CB 4.45Å; L116-F188 HydrophobicContact CD2-CD1 4.21Å; L116-F188 HydrophobicContact CD2-CD2 3.52Å; L116-F188 HydrophobicContact CD2-CE1 4.35Å; L116-F188 HydrophobicContact CD2-CE2 3.69Å; L116-F188 HydrophobicContact CD2-CG 3.79Å; L116-F188 HydrophobicContact CD2-CZ 4.12Å; L116-F188 HydrophobicContact CG-CD2 4.37Å
117S98.6Very high97.9Very high2 Ų225.8 Ų25.81%0.01412%0.124CC..Hα-helixtrans-61.2-42.6179.764.90000112.4A113 A114 S119 L120 W121A113-S117 VanDerWaalsContact O-CB 3.27Å; A113-S117 WeakPolarHBondContact O-CB 3.33Å; A113-S117 PolarHBondContact O-N 2.9Å; A113-S117 PolarHBondContact O-OG 2.94Å; A114-S117 WeakPolarHBondContact CA-OG 3.43Å; A114-S117 PolarHBondContact O-OG 3.04Å; A114-S117 VanDerWaalsContact O-OG 3.08Å; S117-S119 VanDerWaalsContact C-N 3.27Å; S117-S119 PolarHBondContact O-N 2.73Å; S117-L120 PolarHBondContact O-N 3.1Å; S117-W121 WeakPolarHBondContact O-CB 3.48Å; S117-W121 PolarHBondContact O-N 3.29Å
118D98Very high98.1Very high26 Ų2629.4 Ų29.414%0.13913%0.134CC..Hα-helixtrans-59.5-39.2176.2-91.113.6000111.8K82 A114 L116 L122 K163K82-D118 IonicContact NZ-OD2 3.4Å; K82-D118 PolarHBondContact NZ-OD2 2.98Å; A114-D118 WeakPolarHBondContact O-CB 3.34Å; A114-D118 PolarHBondContact O-N 2.87Å; L116-D118 PolarHBondContact O-N 2.62Å; D118-L122 VanDerWaalsContact O-CB 3.22Å; D118-L122 WeakPolarHBondContact O-CB 3.26Å; D118-L122 PolarHBondContact O-N 3.13Å; D118-K163 WeakPolarHBondContact OD1-CE 3.44Å; D118-K163 IonicContact OD1-NZ 2.64Å; D118-K163 PolarHBondContact OD1-NZ 2.77Å
119S98.6Very high98.1Very high1 Ų129.3 Ų29.31%0.00713%0.133CC..Hα-helixtrans-70.5-44.4-179-55.80000111.6I76 R79 A115 L116 S117 L122 A123I76-S119 WeakPolarHBondContact CD1-OG 3.45Å; R79-S119 WeakPolarHBondContact CD-OG 3.45Å; R79-S119 PolarHBondContact NE-OG 2.95Å; A115-S119 WeakPolarHBondContact O-CB 3.42Å; A115-S119 PolarHBondContact O-N 3.19Å; A115-S119 PolarHBondContact O-OG 2.93Å; L116-S119 WeakPolarHBondContact O-CB 3.37Å; L116-S119 PolarHBondContact O-N 3.35Å; L116-S119 VanDerWaalsContact O-N 3.13Å; S117-S119 VanDerWaalsContact C-N 3.27Å; S117-S119 PolarHBondContact O-N 2.73Å; S119-L122 PolarHBondContact O-N 3.15Å; S119-A123 WeakPolarHBondContact O-CB 3.31Å; S119-A123 PolarHBondContact O-N 3.31Å
120L98.9Very high98.2Very high1 Ų128.8 Ų28.81%0.00513%0.131CC..Hα-helixtrans-65.9-44.1177.7-61-175.8000111.5L116 S117 L122 A123 G124 A129 V131 I170 F188 L192L116-L120 WeakPolarHBondContact O-CG 3.35Å; L116-L120 PolarHBondContact O-N 3.03Å; S117-L120 PolarHBondContact O-N 3.1Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 3.24Å; L120-A123 PolarHBondContact O-N 3.34Å; L120-G124 PolarHBondContact O-N 2.98Å; L120-A129 HydrophobicContact CB-CB 3.95Å; L120-V131 HydrophobicContact CD1-CG2 3.91Å; L120-I170 HydrophobicContact CD1-CD1 3.96Å; L120-F188 HydrophobicContact CD2-CD2 3.99Å; L120-F188 HydrophobicContact CD2-CE2 3.61Å; L120-F188 HydrophobicContact CD2-CZ 4.47Å; L120-F188 HydrophobicContact CG-CD2 4.39Å; L120-F188 HydrophobicContact CG-CE2 3.92Å; L120-L192 VanDerWaalsContact CD2-CA 3.48Å; L120-L192 HydrophobicContact CD2-CB 3.98Å; L120-L192 HydrophobicContact CD2-CD1 4.09Å; L120-L192 VanDerWaalsContact CD2-N 3.35Å
121W98.6Very high98.2Very high28 Ų2826 Ų2611%0.10612%0.119CC..Hα-helixtrans-61-43.1177.5-163.9-105.1000111.7S117 G124 Q125 E126 E127 A129 D161 K163 V166S117-W121 WeakPolarHBondContact O-CB 3.48Å; S117-W121 PolarHBondContact O-N 3.29Å; W121-G124 CarbonylContact O-C 3.46Å; W121-G124 PolarHBondContact O-N 3.31Å; W121-Q125 PolarHBondContact O-N 3.01Å; W121-E126 WeakPolarHBondContact CZ2-O 3.33Å; W121-E126 PolarHBondContact NE1-O 2.76Å; W121-E126 WeakPolarHBondContact O-CA 3.05Å; W121-E126 PolarHBondContact O-N 2.64Å; W121-E127 VanDerWaalsContact CH2-O 3.26Å; W121-E127 WeakPolarHBondContact CH2-O 3.43Å; W121-A129 HydrophobicContact CE3-CB 3.96Å; W121-A129 HydrophobicContact CZ3-CB 4.5Å; W121-D161 VanDerWaalsContact CH2-C 3.44Å; W121-D161 WeakPolarHBondContact CH2-O 3.27Å; W121-K163 HydrophobicContact CB-CG 4.28Å; W121-K163 HydrophobicContact CD2-CB 3.69Å; W121-K163 HydrophobicContact CD2-CG 3.95Å; W121-K163 HydrophobicContact CE3-CB 4.1Å; W121-K163 HydrophobicContact CG-CB 4.07Å; W121-K163 HydrophobicContact CG-CD 4.06Å; W121-K163 HydrophobicContact CG-CG 3.81Å; W121-K163 HydrophobicContact CZ2-CB 4.12Å; W121-K163 HydrophobicContact CZ3-CB 4.5Å; W121-V166 HydrophobicContact CE3-CG2 4.02Å; W121-V166 HydrophobicContact CZ3-CG2 4.22Å
122L98.1Very high98.3Very high41 Ų4126 Ų2622%0.21512%0.119CC..Hα-helixtrans-63.4-43.2175.8-177.265.5000112.1D118 S119 L120 G124 Q125 L231D118-L122 VanDerWaalsContact O-CB 3.22Å; D118-L122 WeakPolarHBondContact O-CB 3.26Å; D118-L122 PolarHBondContact O-N 3.13Å; S119-L122 PolarHBondContact O-N 3.15Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 3.24Å; L122-G124 VanDerWaalsContact C-N 3.28Å; L122-G124 PolarHBondContact O-N 3.38Å; L122-Q125 PolarHBondContact O-N 3.41Å; L122-L231 WeakPolarHBondContact CD2-O 3.11Å
123A98.4Very high98.2Very high0 Ų026 Ų260%012%0.119CC..Hα-helixtrans-62.7-35.4176.700000112.6S119 L120 Q125 L192 R196 L229S119-A123 WeakPolarHBondContact O-CB 3.31Å; S119-A123 PolarHBondContact O-N 3.31Å; L120-A123 PolarHBondContact O-N 3.34Å; A123-Q125 PolarHBondContact O-N 2.73Å; A123-L192 HydrophobicContact CB-CD1 3.66Å; A123-L192 HydrophobicContact CB-CG 4.4Å; A123-R196 HydrophobicContact CB-CB 4.35Å; A123-R196 WeakPolarHBondContact O-CA 3.16Å; A123-R196 WeakPolarHBondContact O-CD 3.27Å; A123-L229 HydrophobicContact CB-CD1 4.19Å
124G98.2Very high98Very high0 Ų026.2 Ų26.20%012%0.12CC..THydrogen-bonded Turntrans-84.121.2172.200000114.9L120 W121 L122 E126 E127 R128 S195L120-G124 PolarHBondContact O-N 2.98Å; W121-G124 CarbonylContact O-C 3.46Å; W121-G124 PolarHBondContact O-N 3.31Å; L122-G124 VanDerWaalsContact C-N 3.28Å; L122-G124 PolarHBondContact O-N 3.38Å; G124-E126 PolarHBondContact O-N 2.88Å; G124-E127 PolarHBondContact O-N 3.49Å; G124-R128 VanDerWaalsContact CA-O 3.26Å; G124-R128 WeakPolarHBondContact CA-O 3.41Å; G124-S195 WeakPolarHBondContact CA-O 3.36Å
125Q96.8Very high97.7Very high71 Ų7126.7 Ų26.733%0.33212%0.122SC..THydrogen-bonded Turntrans59.430.2173.9-54.2-174.5-94.400114.6W121 L122 A123 E127 R196W121-Q125 PolarHBondContact O-N 3.01Å; L122-Q125 PolarHBondContact O-N 3.41Å; A123-Q125 PolarHBondContact O-N 2.73Å; Q125-E127 PolarHBondContact O-N 3.28Å; Q125-R196 VanDerWaalsContact CD-NH1 3.26Å
126E97.1Very high97.1Very high124 Ų12432.1 Ų32.158%0.57915%0.148SC*.THydrogen-bonded Turntrans62.119.2-178.4-50.3-177.2177.600114.8W121 G124W121-E126 WeakPolarHBondContact CZ2-O 3.33Å; W121-E126 PolarHBondContact NE1-O 2.76Å; W121-E126 WeakPolarHBondContact O-CA 3.05Å; W121-E126 PolarHBondContact O-N 2.64Å; G124-E126 PolarHBondContact O-N 2.88Å
127E97.3Very high96.5Very high112 Ų11237.4 Ų37.452%0.52318%0.176SC..THydrogen-bonded Turntrans-108.3-42.9179-67.8177174.400112.3W121 G124 Q125W121-E127 VanDerWaalsContact CH2-O 3.26Å; W121-E127 WeakPolarHBondContact CH2-O 3.43Å; G124-E127 PolarHBondContact O-N 3.49Å; Q125-E127 PolarHBondContact O-N 3.28Å
128R97.9Very high96Very high125 Ų12542.1 Ų42.147%0.47219%0.194SC..  trans-151.9163.6-178.264.7-179.764.8167.51111G124 F160G124-R128 VanDerWaalsContact CA-O 3.26Å; G124-R128 WeakPolarHBondContact CA-O 3.41Å; R128-F160 CarbonylContact C-O 3.58Å; R128-F160 WeakPolarHBondContact CA-O 2.93Å; R128-F160 WeakPolarHBondContact CB-O 3.31Å
129A98.6Very high95.4Very high0 Ų042.6 Ų42.60%020%0.199CC..EExtended strand (participates in β ladder)trans-147.5152.5169.600000111.3L120 W121 T159 F160 V166L120-A129 HydrophobicContact CB-CB 3.95Å; W121-A129 HydrophobicContact CE3-CB 3.96Å; W121-A129 HydrophobicContact CZ3-CB 4.5Å; A129-T159 CarbonylContact O-C 3.05Å; A129-T159 WeakPolarHBondContact O-CA 3.36Å; A129-F160 PolarHBondContact N-O 3.4Å; A129-F160 PolarHBondContact O-N 2.66Å; A129-V166 HydrophobicContact CB-CG1 4.37Å; A129-V166 HydrophobicContact CB-CG2 3.85Å
130T98.7Very high94.8Very high11 Ų1143.1 Ų43.17%0.06720%0.202CC..EExtended strand (participates in β ladder)trans-116.7128.8176.2-56.40000110.2L157 F158 T159 S191 C194 S195T130-L157 HydrophobicContact CG2-CB 4Å; T130-L157 HydrophobicContact CG2-CD2 4.14Å; T130-L157 HydrophobicContact CG2-CG 4.25Å; T130-F158 CarbonylContact C-O 3.54Å; T130-F158 VanDerWaalsContact CA-O 3.26Å; T130-F158 WeakPolarHBondContact CA-O 3.41Å; T130-T159 PolarHBondContact OG1-OG1 3.28Å; T130-T159 VanDerWaalsContact OG1-OG1 3.1Å; T130-S191 CarbonylContact O-C 3.49Å; T130-S191 WeakPolarHBondContact O-CA 3.14Å; T130-S191 WeakPolarHBondContact O-CB 3.22Å; T130-C194 HydrophobicContact CG2-CB 3.75Å; T130-S195 PolarHBondContact N-OG 2.91Å; T130-S195 PolarHBondContact O-OG 3.37Å; T130-S195 VanDerWaalsContact O-OG 3.05Å
131V98.7Very high94Very high0 Ų048.8 Ų48.80%024%0.237CC..EExtended strand (participates in β ladder)trans-105133.4171.3-174.40000108.6L120 L133 F158 F160 V166 F169 I170 F177L120-V131 HydrophobicContact CD1-CG2 3.91Å; V131-L133 HydrophobicContact CG1-CD2 4.44Å; V131-F158 PolarHBondContact N-O 2.87Å; V131-F158 PolarHBondContact O-N 3.33Å; V131-F160 HydrophobicContact CB-CE2 4.35Å; V131-F160 HydrophobicContact CG2-CD2 4.39Å; V131-F160 HydrophobicContact CG2-CE2 4.02Å; V131-V166 HydrophobicContact CG2-CG1 4.07Å; V131-F169 HydrophobicContact CB-CD1 4.06Å; V131-F169 HydrophobicContact CB-CE1 4.02Å; V131-F169 HydrophobicContact CG1-CD1 4.02Å; V131-F169 HydrophobicContact CG1-CE1 3.87Å; V131-F169 HydrophobicContact CG2-CD1 4.19Å; V131-I170 HydrophobicContact CG1-CG1 4.3Å; V131-I170 HydrophobicContact CG2-CD1 4.17Å; V131-I170 HydrophobicContact CG2-CG1 3.99Å; V131-F177 HydrophobicContact CG1-CE2 4.48Å; V131-F177 HydrophobicContact CG1-CZ 3.91Å
132T98Very high92.7Very high0 Ų050.6 Ų50.60%025%0.252CS..EExtended strand (participates in β ladder)trans-108.2131176.360.90000110.6Q156 L157 L187 S191T132-Q156 WeakPolarHBondContact CA-O 3.5Å; T132-L157 HydrophobicContact CG2-CG 4.21Å; T132-L187 PolarHBondContact OG1-O 3.01Å; T132-S191 PolarHBondContact N-OG 2.67Å; T132-S191 PolarHBondContact OG1-N 3.28Å; T132-S191 PolarHBondContact OG1-OG 3.42Å
133L96.9Very high91.5Very high0 Ų051.5 Ų51.50%026%0.255CS..EExtended strand (participates in β ladder)trans-126.8170.3173.4-59.9179.4000110I11 L15 V131 L155 Q156 F158 F169 H173 C176 F177I11-L133 HydrophobicContact CD1-CB 4.14Å; I11-L133 HydrophobicContact CG1-CB 4.34Å; I11-L133 HydrophobicContact CG2-CB 3.93Å; I11-L133 HydrophobicContact CG2-CD1 3.63Å; I11-L133 HydrophobicContact CG2-CG 4.4Å; L15-L133 HydrophobicContact CD2-CD1 4.35Å; V131-L133 HydrophobicContact CG1-CD2 4.44Å; L133-L155 WeakPolarHBondContact O-CA 3.32Å; L133-Q156 PolarHBondContact N-O 3.21Å; L133-Q156 PolarHBondContact O-N 2.86Å; L133-F158 HydrophobicContact CB-CE2 4.29Å; L133-F158 HydrophobicContact CD1-CE2 4.27Å; L133-F158 HydrophobicContact CG-CE2 4.43Å; L133-F169 HydrophobicContact CD1-CE1 3.67Å; L133-F169 HydrophobicContact CD1-CZ 3.66Å; L133-F169 HydrophobicContact CG-CE1 4.32Å; L133-H173 HydrophobicContact CD1-CB 4.13Å; L133-C176 HydrophobicContact CD2-CB 3.86Å; L133-F177 HydrophobicContact CD2-CE2 4.07Å; L133-F177 HydrophobicContact CD2-CZ 4.02Å
134V94.5Very high90.2Very high4 Ų460.1 Ų60.12%0.02430%0.3CS..EExtended strand (participates in β ladder)trans-105.9133.4-178.8-173.60000111.8I5 V10 I11 F151 K154 L155 L187I5-V134 HydrophobicContact CD1-CB 3.8Å; I5-V134 HydrophobicContact CD1-CG1 3.48Å; I5-V134 VanDerWaalsContact CD1-CG1 3.48Å; I5-V134 HydrophobicContact CD1-CG2 3.65Å; V10-V134 WeakPolarHBondContact CA-O 3.49Å; I11-V134 VanDerWaalsContact CG1-O 3.26Å; I11-V134 WeakPolarHBondContact CG1-O 3.47Å; I11-V134 PolarHBondContact N-O 3.11Å; V134-F151 HydrophobicContact CG2-CD2 4.4Å; V134-F151 HydrophobicContact CG2-CE2 3.78Å; V134-F151 HydrophobicContact CG2-CZ 3.99Å; V134-K154 WeakPolarHBondContact CA-O 3.42Å; V134-K154 HydrophobicContact CG1-CB 3.63Å; V134-K154 HydrophobicContact CG1-CD 4.37Å; V134-L155 HydrophobicContact CG2-CD2 4.29Å; V134-L187 HydrophobicContact CG2-CD2 3.69Å
135T91.7Very high89Confident14 Ų1465.8 Ų65.89%0.08633%0.331CS..  trans-99.6169.1169.8-1750000111.8D137 K154T135-D137 WeakPolarHBondContact CG2-O 3.46Å; T135-K154 VanDerWaalsContact CG2-O 3.3Å; T135-K154 WeakPolarHBondContact CG2-O 3.45Å; T135-K154 PolarHBondContact N-O 3.29Å
136E86.2Confident88Confident115 Ų11562.9 Ų62.954%0.53732%0.317SS..SBendtrans-71-44.9-176-173.4165.6-161.600111.2V10 K154V10-E136 HydrophobicContact CG1-CB 3.89Å; E136-K154 WeakPolarHBondContact O-CE 3.26Å; E136-K154 PolarHBondContact O-NZ 3.06Å
137D86.9Confident87.4Confident110 Ų11062.3 Ų62.359%0.58831%0.312SS*.SBendtrans-87.5155.9-175-64.6-45000112.5T135 C139T135-D137 WeakPolarHBondContact CG2-O 3.46Å; D137-C139 PolarHBondContact O-N 3.27Å
138Y87.1Confident86.8Confident101 Ų10160.2 Ų60.240%0.39630%0.304SS..  trans-70127.3171-70.6-105.3000109.3I140 L148 D150 E153 K154Y138-I140 VanDerWaalsContact C-N 3.25Å; Y138-I140 WeakPolarHBondContact CB-O 3.38Å; Y138-L148 HydrophobicContact CE1-CD2 4.42Å; Y138-D150 VanDerWaalsContact OH-CG 3.28Å; Y138-D150 PolarHBondContact OH-OD1 3.26Å; Y138-E153 HydrophobicContact CD1-CB 3.63Å; Y138-E153 HydrophobicContact CD1-CG 4.42Å; Y138-E153 HydrophobicContact CE1-CB 4.11Å; Y138-K154 VanDerWaalsContact CE2-CE 3.47Å; Y138-K154 HydrophobicContact CG-CG 4.49Å
139C87.1Confident86.3Confident37 Ų3754.7 Ų54.725%0.2528%0.284CS..SBendtrans-75.6-20172-63.60000111.7P19 V20 D137 E153 L155P19-C139 HydrophobicContact CB-CB 3.78Å; V20-C139 HydrophobicContact CG1-CB 3.83Å; D137-C139 PolarHBondContact O-N 3.27Å; C139-E153 VanDerWaalsContact CB-O 3.3Å; C139-E153 WeakPolarHBondContact CB-O 3.31Å; C139-E153 PolarHBondContact N-O 3.42Å; C139-L155 PolarHBondContact SG-O 2.87Å; C139-L155 VanDerWaalsContact SG-O 3.4Å
140I85.8Confident85.7Confident11 Ų1158.2 Ų58.26%0.05630%0.303CS..SBendtrans-134.1150.8-177.465.3165.3000112.4V20 P22 T25 Y138 E153V20-I140 HydrophobicContact CG1-CG2 4.36Å; V20-I140 WeakPolarHBondContact O-CG2 3.11Å; P22-I140 HydrophobicContact CG-CB 4.21Å; P22-I140 HydrophobicContact CG-CG2 3.91Å; T25-I140 HydrophobicContact CG2-CD1 3.67Å; Y138-I140 VanDerWaalsContact C-N 3.25Å; Y138-I140 WeakPolarHBondContact CB-O 3.38Å; I140-E153 HydrophobicContact CD1-CB 4.15Å; I140-E153 HydrophobicContact CD1-CG 3.94Å; I140-E153 HydrophobicContact CG1-CB 3.69Å; I140-E153 HydrophobicContact CG1-CG 3.99Å
141T82.2Confident85.3Confident121 Ų12157.9 Ų57.974%0.74230%0.3SS*.  trans-78.9130.2171.7-48.40000110.2
142P71.7Confident85Confident65 Ų6557.9 Ų57.942%0.42230%0.3SS..  trans-55.3138.4172.1-24.232.8000112.5L148P142-L148 HydrophobicContact CB-CD1 3.7Å; P142-L148 HydrophobicContact CB-CD2 3.7Å; P142-L148 HydrophobicContact CB-CG 3.94Å; P142-L148 HydrophobicContact CG-CD1 3.63Å; P142-L148 HydrophobicContact CG-CD2 3.67Å; P142-L148 HydrophobicContact CG-CG 4.14Å
143H72.8Confident84.7Confident61 Ų6157.9 Ų57.928%0.28230%0.3SS..  trans-119.5154.617357.7-79.2000111E26 D145 Y146E26-H143 IonicContact OE1-NE2 3.63Å; H143-D145 VanDerWaalsContact C-N 3.31Å; H143-D145 PolarHBondContact O-N 3.07Å; H143-Y146 WeakPolarHBondContact CE1-CB 3.31Å; H143-Y146 AromaticContact CE1-CD2 3.73Å; H143-Y146 AromaticContact CE1-CG 3.53Å; H143-Y146 WeakPolarHBondContact NE2-CB 3.27Å; H143-Y146 AromaticContact NE2-CG 3.84Å; H143-Y146 PolarHBondContact O-N 3.2Å
144L70.9Confident84.5Confident180 Ų18059.8 Ų59.894%0.94231%0.309SS*.THydrogen-bonded Turntrans-58-35.5-168.9-79.8147.4000114.2Y146L144-Y146 VanDerWaalsContact C-N 3.3Å; L144-Y146 PolarHBondContact O-N 3.37Å
145D72.9Confident84.6Confident120 Ų12059.7 Ų59.764%0.64231%0.308SS*.THydrogen-bonded Turntrans-9115.1-175.9-61.4-39.6000114H143H143-D145 VanDerWaalsContact C-N 3.31Å; H143-D145 PolarHBondContact O-N 3.07Å
146Y75.9Confident84.8Confident10 Ų1060.2 Ų60.24%0.03931%0.309CS..SBendtrans-130121.8-177175.3-86.3000111.5R29 H143 L144 L148 E153R29-Y146 VanDerWaalsContact CZ-OH 3.29Å; R29-Y146 VanDerWaalsContact NE-CE2 3.25Å; R29-Y146 PolarHBondContact NE-OH 2.85Å; R29-Y146 VanDerWaalsContact NH2-CE1 3.29Å; R29-Y146 PolarHBondContact NH2-OH 3.27Å; H143-Y146 WeakPolarHBondContact CE1-CB 3.31Å; H143-Y146 AromaticContact CE1-CD2 3.73Å; H143-Y146 AromaticContact CE1-CG 3.53Å; H143-Y146 WeakPolarHBondContact NE2-CB 3.27Å; H143-Y146 AromaticContact NE2-CG 3.84Å; H143-Y146 PolarHBondContact O-N 3.2Å; L144-Y146 VanDerWaalsContact C-N 3.3Å; L144-Y146 PolarHBondContact O-N 3.37Å; Y146-L148 HydrophobicContact CD1-CD2 4.29Å; Y146-L148 HydrophobicContact CE1-CD2 4.13Å; Y146-L148 PolarHBondContact O-N 2.89Å; Y146-E153 HydrophobicContact CE1-CG 3.78Å; Y146-E153 WeakPolarHBondContact CE1-OE1 3.41Å; Y146-E153 PolarHBondContact OH-OE1 3.09Å
147K83.8Confident85.3Confident112 Ų11255.8 Ų55.849%0.48729%0.29SS..  trans-74.6107.6-179.9-178.7177.8-176.8175.60110.3R29 F37 V39 D149R29-K147 PolarHBondContact NH1-O 2.94Å; R29-K147 PolarHBondContact NH2-O 3.15Å; F37-K147 WeakPolarHBondContact O-CD 3.48Å; V39-K147 HydrophobicContact CG1-CB 4.39Å; V39-K147 HydrophobicContact CG1-CD 4.05Å; V39-K147 HydrophobicContact CG1-CG 4.17Å; V39-K147 HydrophobicContact CG2-CD 4.15Å; K147-D149 PolarHBondContact O-N 3.41Å
148L85.1Confident85.9Confident68 Ų6851.3 Ų51.336%0.35627%0.265SS..  trans-56.6142.8175.6-70.3171.8000112.6Y138 P142 Y146 E153Y138-L148 HydrophobicContact CE1-CD2 4.42Å; P142-L148 HydrophobicContact CB-CD1 3.7Å; P142-L148 HydrophobicContact CB-CD2 3.7Å; P142-L148 HydrophobicContact CB-CG 3.94Å; P142-L148 HydrophobicContact CG-CD1 3.63Å; P142-L148 HydrophobicContact CG-CD2 3.67Å; P142-L148 HydrophobicContact CG-CG 4.14Å; Y146-L148 HydrophobicContact CD1-CD2 4.29Å; Y146-L148 HydrophobicContact CE1-CD2 4.13Å; Y146-L148 PolarHBondContact O-N 2.89Å; L148-E153 WeakPolarHBondContact CA-OE1 3.36Å; L148-E153 HydrophobicContact CD2-CG 3.8Å
149D87.2Confident86.4Confident8 Ų850.4 Ų50.44%0.04327%0.27CS..  trans-127.26.3177.394.8-28.2000113.9R29 V39 R45 K147 F151 T152 E153R29-D149 IonicContact NH2-OD1 2.88Å; V39-D149 HydrophobicContact CB-CB 3.9Å; V39-D149 HydrophobicContact CG1-CB 3.59Å; R45-D149 PolarHBondContact NH1-O 2.92Å; R45-D149 VanDerWaalsContact NH2-CB 3.26Å; R45-D149 PolarHBondContact NH2-O 3.08Å; R45-D149 IonicContact NH2-OD2 3.91Å; K147-D149 PolarHBondContact O-N 3.41Å; D149-F151 PolarHBondContact O-N 3.36Å; D149-F151 VanDerWaalsContact O-N 3.1Å; D149-F151 PolarHBondContact OD1-N 2.92Å; D149-T152 WeakPolarHBondContact OD1-CB 3.39Å; D149-T152 PolarHBondContact OD1-N 3.28Å; D149-T152 PolarHBondContact OD1-OG1 2.89Å; D149-T152 PolarHBondContact OD2-OG1 2.81Å; D149-E153 PolarHBondContact N-OE1 3.37Å
150D85.9Confident87Confident75 Ų7550.5 Ų50.540%0.40127%0.266SS..SBendtrans51.431175.8-59.5-28.1000113Y138 E153Y138-D150 VanDerWaalsContact OH-CG 3.28Å; Y138-D150 PolarHBondContact OH-OD1 3.26Å; D150-E153 PolarHBondContact N-OE2 3.39Å; D150-E153 VanDerWaalsContact N-OE2 3.12Å
151F90.5Very high87.6Confident3 Ų355.4 Ų55.41%0.01329%0.293CS..SBendtrans-146.8-61-172.3-174.2-90.3000110.9I5 V134 D149 E153 K154 L155 H183 I186 L187 Y190I5-F151 HydrophobicContact CD1-CD2 3.58Å; I5-F151 HydrophobicContact CD1-CE2 3.59Å; I5-F151 HydrophobicContact CG1-CD2 4.13Å; I5-F151 HydrophobicContact CG1-CE2 4.15Å; V134-F151 HydrophobicContact CG2-CD2 4.4Å; V134-F151 HydrophobicContact CG2-CE2 3.78Å; V134-F151 HydrophobicContact CG2-CZ 3.99Å; D149-F151 PolarHBondContact O-N 3.36Å; D149-F151 VanDerWaalsContact O-N 3.1Å; D149-F151 PolarHBondContact OD1-N 2.92Å; F151-E153 PolarHBondContact N-OE2 2.93Å; F151-E153 VanDerWaalsContact N-OE2 3.08Å; F151-E153 PolarHBondContact O-N 3.4Å; F151-K154 PolarHBondContact O-N 3.42Å; F151-K154 VanDerWaalsContact O-N 3.14Å; F151-L155 HydrophobicContact CE1-CD2 4.25Å; F151-H183 HydrophobicContact CD2-CB 4.38Å; F151-H183 AromaticContact CD2-CD2 3.47Å; F151-H183 VanDerWaalsContact CD2-CD2 3.47Å; F151-H183 WeakPolarHBondContact CD2-CD2 3.2Å; F151-H183 HydrophobicContact CE2-CB 3.6Å; F151-H183 AromaticContact CE2-CD2 3.41Å; F151-H183 VanDerWaalsContact CE2-CD2 3.41Å; F151-H183 WeakPolarHBondContact CE2-CD2 3.21Å; F151-H183 AromaticContact CE2-CG 3.86Å; F151-H183 HydrophobicContact CZ-CB 3.83Å; F151-I186 HydrophobicContact CD1-CG2 4.14Å; F151-I186 HydrophobicContact CE1-CB 4.29Å; F151-I186 HydrophobicContact CE1-CG2 3.54Å; F151-I186 HydrophobicContact CZ-CB 4.5Å; F151-I186 HydrophobicContact CZ-CG2 4.2Å; F151-L187 HydrophobicContact CE1-CD2 4.04Å; F151-L187 HydrophobicContact CE2-CD2 4.41Å; F151-L187 HydrophobicContact CZ-CD2 3.49Å; F151-L187 VanDerWaalsContact CZ-CD2 3.49Å; F151-L187 HydrophobicContact CZ-CG 3.75Å; F151-Y190 AromaticContact CD1-CE2 3.9Å; F151-Y190 HydrophobicContact CD1-CE2 3.9Å; F151-Y190 AromaticContact CE1-CD2 4Å; F151-Y190 HydrophobicContact CE1-CD2 4Å; F151-Y190 AromaticContact CE1-CE2 3.69Å; F151-Y190 HydrophobicContact CE1-CE2 3.69Å
152T92.3Very high88.3Confident0 Ų057.1 Ų57.10%029%0.285CS..G310 helixtrans-61.3-35.1-177-53.10000111V20 T25 D149 K154 L155 Y190V20-T152 WeakPolarHBondContact CG1-O 3.19Å; T25-T152 HydrophobicContact CG2-CG2 3.92Å; D149-T152 WeakPolarHBondContact OD1-CB 3.39Å; D149-T152 PolarHBondContact OD1-N 3.28Å; D149-T152 PolarHBondContact OD1-OG1 2.89Å; D149-T152 PolarHBondContact OD2-OG1 2.81Å; T152-K154 PolarHBondContact O-N 3.13Å; T152-L155 HydrophobicContact CG2-CD1 4.18Å; T152-L155 WeakPolarHBondContact O-CD1 3.46Å; T152-L155 VanDerWaalsContact O-CG 3.31Å; T152-L155 WeakPolarHBondContact O-CG 3.39Å; T152-L155 PolarHBondContact O-N 3.02Å; T152-Y190 PolarHBondContact OG1-OH 3.21Å
153E91.6Very high89.6Confident0 Ų057.8 Ų57.80%028%0.282CS..G310 helixtrans-76.4-9.8-175.7-51.582-175.900112.8R29 Y138 C139 I140 Y146 L148 D149 D150 F151R29-E153 IonicContact NH2-OE1 2.85Å; R29-E153 PolarHBondContact NH2-OE1 3.44Å; R29-E153 VanDerWaalsContact NH2-OE1 3.13Å; Y138-E153 HydrophobicContact CD1-CB 3.63Å; Y138-E153 HydrophobicContact CD1-CG 4.42Å; Y138-E153 HydrophobicContact CE1-CB 4.11Å; C139-E153 VanDerWaalsContact CB-O 3.3Å; C139-E153 WeakPolarHBondContact CB-O 3.31Å; C139-E153 PolarHBondContact N-O 3.42Å; I140-E153 HydrophobicContact CD1-CB 4.15Å; I140-E153 HydrophobicContact CD1-CG 3.94Å; I140-E153 HydrophobicContact CG1-CB 3.69Å; I140-E153 HydrophobicContact CG1-CG 3.99Å; Y146-E153 HydrophobicContact CE1-CG 3.78Å; Y146-E153 WeakPolarHBondContact CE1-OE1 3.41Å; Y146-E153 PolarHBondContact OH-OE1 3.09Å; L148-E153 WeakPolarHBondContact CA-OE1 3.36Å; L148-E153 HydrophobicContact CD2-CG 3.8Å; D149-E153 PolarHBondContact N-OE1 3.37Å; D150-E153 PolarHBondContact N-OE2 3.39Å; D150-E153 VanDerWaalsContact N-OE2 3.12Å; F151-E153 PolarHBondContact N-OE2 2.93Å; F151-E153 VanDerWaalsContact N-OE2 3.08Å; F151-E153 PolarHBondContact O-N 3.4Å
154K93.1Very high90.8Very high41 Ų4159.4 Ų59.418%0.17829%0.292CS..G310 helixtrans-108.912.2-178.9-58-171.7176.8-157.30112.6V134 T135 E136 Y138 F151 T152V134-K154 WeakPolarHBondContact CA-O 3.42Å; V134-K154 HydrophobicContact CG1-CB 3.63Å; V134-K154 HydrophobicContact CG1-CD 4.37Å; T135-K154 VanDerWaalsContact CG2-O 3.3Å; T135-K154 WeakPolarHBondContact CG2-O 3.45Å; T135-K154 PolarHBondContact N-O 3.29Å; E136-K154 WeakPolarHBondContact O-CE 3.26Å; E136-K154 PolarHBondContact O-NZ 3.06Å; Y138-K154 VanDerWaalsContact CE2-CE 3.47Å; Y138-K154 HydrophobicContact CG-CG 4.49Å; F151-K154 PolarHBondContact O-N 3.42Å; F151-K154 VanDerWaalsContact O-N 3.14Å; T152-K154 PolarHBondContact O-N 3.13Å
155L95.2Very high92.1Very high1 Ų153.3 Ų53.31%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-74137.3-178.3-67.4173.6000111.5V20 L28 L133 V134 C139 F151 T152 L187 Y190V20-L155 HydrophobicContact CB-CB 3.99Å; V20-L155 WeakPolarHBondContact CB-O 3.4Å; V20-L155 HydrophobicContact CG1-CB 4.11Å; V20-L155 WeakPolarHBondContact CG1-O 3.49Å; V20-L155 HydrophobicContact CG2-CB 4.47Å; V20-L155 PolarHBondContact N-O 2.72Å; L28-L155 HydrophobicContact CD1-CD1 4.36Å; L133-L155 WeakPolarHBondContact O-CA 3.32Å; V134-L155 HydrophobicContact CG2-CD2 4.29Å; C139-L155 PolarHBondContact SG-O 2.87Å; C139-L155 VanDerWaalsContact SG-O 3.4Å; F151-L155 HydrophobicContact CE1-CD2 4.25Å; T152-L155 HydrophobicContact CG2-CD1 4.18Å; T152-L155 WeakPolarHBondContact O-CD1 3.46Å; T152-L155 VanDerWaalsContact O-CG 3.31Å; T152-L155 WeakPolarHBondContact O-CG 3.39Å; T152-L155 PolarHBondContact O-N 3.02Å; L155-L187 HydrophobicContact CD2-CD2 3.84Å; L155-Y190 HydrophobicContact CD1-CD1 4.42Å; L155-Y190 HydrophobicContact CD1-CD2 3.68Å; L155-Y190 HydrophobicContact CD1-CE2 4Å; L155-Y190 HydrophobicContact CD1-CG 3.91Å; L155-Y190 HydrophobicContact CD2-CD2 4.26Å
156Q96.4Very high93.3Very high25 Ų2547.6 Ų47.612%0.11723%0.23CC..EExtended strand (participates in β ladder)trans-118.8132.3171.4-161.676-9.100109I11 G16 G17 T132 L133 F158I11-Q156 HydrophobicContact CD1-CB 3.81Å; I11-Q156 HydrophobicContact CD1-CG 4Å; G16-Q156 WeakPolarHBondContact O-CG 3.26Å; G16-Q156 PolarHBondContact O-NE2 3.05Å; G17-Q156 VanDerWaalsContact C-NE2 3.32Å; G17-Q156 PolarHBondContact O-NE2 2.88Å; T132-Q156 WeakPolarHBondContact CA-O 3.5Å; L133-Q156 PolarHBondContact N-O 3.21Å; L133-Q156 PolarHBondContact O-N 2.86Å; Q156-F158 HydrophobicContact CB-CE2 3.95Å; Q156-F158 HydrophobicContact CB-CZ 4.43Å; Q156-F158 HydrophobicContact CG-CE2 3.8Å; Q156-F158 HydrophobicContact CG-CZ 3.84Å
157L97.9Very high94.4Very high23 Ų2350.8 Ų50.812%0.1224%0.242CC..EExtended strand (participates in β ladder)trans-105.1132.4-173.9-70.178.2000111.2G17 T18 V20 L24 T130 T132 C194G17-L157 CarbonylContact C-O 3.27Å; G17-L157 VanDerWaalsContact CA-O 3.26Å; G17-L157 WeakPolarHBondContact CA-O 3.34Å; T18-L157 PolarHBondContact N-O 3.35Å; T18-L157 WeakPolarHBondContact O-CD1 3.45Å; T18-L157 PolarHBondContact O-N 2.76Å; V20-L157 HydrophobicContact CB-CD1 3.95Å; V20-L157 HydrophobicContact CG2-CD1 4.38Å; L24-L157 HydrophobicContact CD2-CD1 4.33Å; L24-L157 HydrophobicContact CD2-CD2 3.66Å; T130-L157 HydrophobicContact CG2-CB 4Å; T130-L157 HydrophobicContact CG2-CD2 4.14Å; T130-L157 HydrophobicContact CG2-CG 4.25Å; T132-L157 HydrophobicContact CG2-CG 4.21Å; L157-C194 HydrophobicContact CD2-CB 4.48Å
158F98.5Very high95.1Very high16 Ų1650 Ų507%0.0724%0.239CC..EExtended strand (participates in β ladder)trans-123.4113.3176.6-60.6-93.6000109.4I11 L15 G16 T130 V131 L133 Q156 F160 F169I11-F158 HydrophobicContact CD1-CE2 3.69Å; I11-F158 HydrophobicContact CD1-CZ 3.57Å; L15-F158 HydrophobicContact CB-CZ 4.48Å; L15-F158 HydrophobicContact CD2-CE1 4.23Å; L15-F158 HydrophobicContact CD2-CZ 3.85Å; L15-F158 HydrophobicContact CG-CE1 3.96Å; L15-F158 HydrophobicContact CG-CZ 4Å; G16-F158 WeakPolarHBondContact O-CZ 3.39Å; T130-F158 CarbonylContact C-O 3.54Å; T130-F158 VanDerWaalsContact CA-O 3.26Å; T130-F158 WeakPolarHBondContact CA-O 3.41Å; V131-F158 PolarHBondContact N-O 2.87Å; V131-F158 PolarHBondContact O-N 3.33Å; L133-F158 HydrophobicContact CB-CE2 4.29Å; L133-F158 HydrophobicContact CD1-CE2 4.27Å; L133-F158 HydrophobicContact CG-CE2 4.43Å; Q156-F158 HydrophobicContact CB-CE2 3.95Å; Q156-F158 HydrophobicContact CB-CZ 4.43Å; Q156-F158 HydrophobicContact CG-CE2 3.8Å; Q156-F158 HydrophobicContact CG-CZ 3.84Å; F158-F160 HydrophobicContact CB-CE2 3.63Å; F158-F160 HydrophobicContact CB-CZ 3.78Å; F158-F160 WeakPolarHBondContact O-CE2 3.13Å; F158-F169 HydrophobicContact CB-CE1 4.09Å; F158-F169 HydrophobicContact CB-CZ 4.03Å; F158-F169 HydrophobicContact CD1-CE2 4.06Å; F158-F169 AromaticContact CD1-CZ 3.74Å; F158-F169 HydrophobicContact CD1-CZ 3.74Å; F158-F169 HydrophobicContact CD2-CE1 4.04Å; F158-F169 AromaticContact CD2-CZ 3.7Å; F158-F169 HydrophobicContact CD2-CZ 3.7Å; F158-F169 HydrophobicContact CE1-CE2 4.4Å; F158-F169 HydrophobicContact CE1-CZ 4.09Å; F158-F169 HydrophobicContact CE2-CZ 4.08Å; F158-F169 AromaticContact CG-CE1 3.99Å; F158-F169 HydrophobicContact CG-CE1 3.99Å; F158-F169 HydrophobicContact CG-CE2 4.25Å; F158-F169 AromaticContact CG-CZ 3.53Å; F158-F169 HydrophobicContact CG-CZ 3.53Å; F158-F169 HydrophobicContact CZ-CZ 4.26Å
159T98.4Very high95.7Very high81 Ų8147.9 Ų47.950%0.49723%0.227SC..EExtended strand (participates in β ladder)trans-105.2136.2-178-56.80000110.5A129 T130A129-T159 CarbonylContact O-C 3.05Å; A129-T159 WeakPolarHBondContact O-CA 3.36Å; T130-T159 PolarHBondContact OG1-OG1 3.28Å; T130-T159 VanDerWaalsContact OG1-OG1 3.1Å
160F98.6Very high96.3Very high40 Ų4047.5 Ų47.518%0.17523%0.225CC..EExtended strand (participates in β ladder)trans-130.6142.2-177.5-53.9-89.4000110.6R128 A129 V131 F158 D165 V166 F169R128-F160 CarbonylContact C-O 3.58Å; R128-F160 WeakPolarHBondContact CA-O 2.93Å; R128-F160 WeakPolarHBondContact CB-O 3.31Å; A129-F160 PolarHBondContact N-O 3.4Å; A129-F160 PolarHBondContact O-N 2.66Å; V131-F160 HydrophobicContact CB-CE2 4.35Å; V131-F160 HydrophobicContact CG2-CD2 4.39Å; V131-F160 HydrophobicContact CG2-CE2 4.02Å; F158-F160 HydrophobicContact CB-CE2 3.63Å; F158-F160 HydrophobicContact CB-CZ 3.78Å; F158-F160 WeakPolarHBondContact O-CE2 3.13Å; F160-D165 HydrophobicContact CD1-CB 4.08Å; F160-V166 HydrophobicContact CB-CG2 3.63Å; F160-V166 HydrophobicContact CD2-CG2 4.04Å; F160-V166 HydrophobicContact CG-CG2 4.05Å; F160-F169 HydrophobicContact CE1-CB 4.18Å; F160-F169 HydrophobicContact CE1-CD2 4.3Å; F160-F169 HydrophobicContact CE1-CG 4.23Å; F160-F169 HydrophobicContact CE2-CB 4.24Å; F160-F169 AromaticContact CE2-CD1 3.91Å; F160-F169 HydrophobicContact CE2-CD1 3.91Å; F160-F169 HydrophobicContact CE2-CE1 4.42Å; F160-F169 HydrophobicContact CE2-CG 4Å; F160-F169 HydrophobicContact CZ-CB 3.7Å; F160-F169 AromaticContact CZ-CD1 3.74Å; F160-F169 HydrophobicContact CZ-CD1 3.74Å; F160-F169 AromaticContact CZ-CD2 3.65Å; F160-F169 HydrophobicContact CZ-CD2 3.65Å; F160-F169 HydrophobicContact CZ-CE1 4.25Å; F160-F169 HydrophobicContact CZ-CE2 4.16Å; F160-F169 AromaticContact CZ-CG 3.4Å; F160-F169 HydrophobicContact CZ-CG 3.4Å; F160-F169 HydrophobicContact CZ-CZ 4.44Å
161D98.3Very high96.9Very high114 Ų11445.9 Ų45.961%0.6122%0.216SC*.SBendtrans-103.611.2176.8-56-54.2000112.5W121W121-D161 VanDerWaalsContact CH2-C 3.44Å; W121-D161 WeakPolarHBondContact CH2-O 3.27Å
162R98.2Very high97.2Very high156 Ų15651.7 Ų51.759%0.58925%0.247SC*.  trans-137.2126178.4-65.1177.364.3114.15.3110.7D164 D165 V166R162-D164 VanDerWaalsContact C-N 3.31Å; R162-D164 PolarHBondContact O-N 3.44Å; R162-D165 HydrophobicContact CB-CB 4.33Å; R162-D165 WeakPolarHBondContact CB-OD2 3.5Å; R162-D165 WeakPolarHBondContact CD-OD2 3.42Å; R162-D165 IonicContact NE-OD2 3.92Å; R162-D165 PolarHBondContact O-N 3Å; R162-D165 VanDerWaalsContact O-N 3.08Å; R162-V166 PolarHBondContact O-N 2.86Å
163K97.6Very high97.5Very high80 Ų8053.6 Ų53.635%0.34826%0.256SS..Hα-helixtrans-54.1-44.2-179.9-169.9179.6178.5-177.90113.4D118 W121 D165 V166 W167D118-K163 WeakPolarHBondContact OD1-CE 3.44Å; D118-K163 IonicContact OD1-NZ 2.64Å; D118-K163 PolarHBondContact OD1-NZ 2.77Å; W121-K163 HydrophobicContact CB-CG 4.28Å; W121-K163 HydrophobicContact CD2-CB 3.69Å; W121-K163 HydrophobicContact CD2-CG 3.95Å; W121-K163 HydrophobicContact CE3-CB 4.1Å; W121-K163 HydrophobicContact CG-CB 4.07Å; W121-K163 HydrophobicContact CG-CD 4.06Å; W121-K163 HydrophobicContact CG-CG 3.81Å; W121-K163 HydrophobicContact CZ2-CB 4.12Å; W121-K163 HydrophobicContact CZ3-CB 4.5Å; K163-D165 PolarHBondContact O-N 3.16Å; K163-V166 WeakPolarHBondContact O-CB 3.39Å; K163-V166 PolarHBondContact O-N 3.45Å; K163-W167 PolarHBondContact O-N 2.84Å
164D97.9Very high97.8Very high95 Ų9554 Ų5451%0.50826%0.258SS..Hα-helixtrans-63.1-30.7-178.6-66.7-19000112.5R162 W167 K168R162-D164 VanDerWaalsContact C-N 3.31Å; R162-D164 PolarHBondContact O-N 3.44Å; D164-W167 PolarHBondContact O-N 3.34Å; D164-K168 VanDerWaalsContact O-CG 3.27Å; D164-K168 WeakPolarHBondContact O-CG 3.18Å; D164-K168 PolarHBondContact O-N 2.89Å
165D98.5Very high98Very high52 Ų5256.6 Ų56.628%0.27827%0.271SS..Hα-helixtrans-78.8-33.5-179-60.4-25.8000110.9F160 R162 K163 W167 K168 F169F160-D165 HydrophobicContact CD1-CB 4.08Å; R162-D165 HydrophobicContact CB-CB 4.33Å; R162-D165 WeakPolarHBondContact CB-OD2 3.5Å; R162-D165 WeakPolarHBondContact CD-OD2 3.42Å; R162-D165 IonicContact NE-OD2 3.92Å; R162-D165 PolarHBondContact O-N 3Å; R162-D165 VanDerWaalsContact O-N 3.08Å; K163-D165 PolarHBondContact O-N 3.16Å; D165-W167 VanDerWaalsContact C-N 3.34Å; D165-K168 IonicContact OD1-NZ 3.88Å; D165-K168 PolarHBondContact OD1-NZ 3.03Å; D165-F169 WeakPolarHBondContact O-CB 3.38Å; D165-F169 PolarHBondContact O-N 2.94Å
166V98.7Very high98.1Very high0 Ų057 Ų570%027%0.273CS..Hα-helixtrans-59.2-47.1167.5-175.80000110.3W121 A129 V131 F160 R162 K163 F169 I170W121-V166 HydrophobicContact CE3-CG2 4.02Å; W121-V166 HydrophobicContact CZ3-CG2 4.22Å; A129-V166 HydrophobicContact CB-CG1 4.37Å; A129-V166 HydrophobicContact CB-CG2 3.85Å; V131-V166 HydrophobicContact CG2-CG1 4.07Å; F160-V166 HydrophobicContact CB-CG2 3.63Å; F160-V166 HydrophobicContact CD2-CG2 4.04Å; F160-V166 HydrophobicContact CG-CG2 4.05Å; R162-V166 PolarHBondContact O-N 2.86Å; K163-V166 WeakPolarHBondContact O-CB 3.39Å; K163-V166 PolarHBondContact O-N 3.45Å; V166-F169 PolarHBondContact O-N 3.33Å; V166-I170 HydrophobicContact CG1-CD1 3.82Å; V166-I170 HydrophobicContact CG1-CG1 4.47Å; V166-I170 WeakPolarHBondContact O-CB 3.35Å; V166-I170 VanDerWaalsContact O-CG1 3.31Å; V166-I170 WeakPolarHBondContact O-CG1 3.36Å; V166-I170 PolarHBondContact O-N 3.34Å
167W98.6Very high98.1Very high76 Ų7655.9 Ų55.929%0.28827%0.268SS..Hα-helixtrans-62.3-48.9-179.9178.680.5000112.2K110 K163 D164 D165 F169 I170 L171K110-W167 HydrophobicContact CB-CZ2 4.41Å; K110-W167 HydrophobicContact CG-CZ2 4.16Å; K163-W167 PolarHBondContact O-N 2.84Å; D164-W167 PolarHBondContact O-N 3.34Å; D165-W167 VanDerWaalsContact C-N 3.34Å; W167-F169 PolarHBondContact O-N 3.34Å; W167-I170 PolarHBondContact O-N 3.12Å; W167-L171 HydrophobicContact CH2-CD2 3.45Å; W167-L171 VanDerWaalsContact CH2-CD2 3.45Å; W167-L171 HydrophobicContact CZ2-CD2 3.7Å; W167-L171 HydrophobicContact CZ3-CD2 3.95Å; W167-L171 WeakPolarHBondContact O-CB 3.26Å; W167-L171 PolarHBondContact O-N 3.49Å
168K98.6Very high98Very high97 Ų9756.1 Ų56.142%0.42227%0.268SS..Hα-helixtrans-58.8-47.9176.7-70.3168.3-153.1147.50110.9D164 D165 I170 L171 D172D164-K168 VanDerWaalsContact O-CG 3.27Å; D164-K168 WeakPolarHBondContact O-CG 3.18Å; D164-K168 PolarHBondContact O-N 2.89Å; D165-K168 IonicContact OD1-NZ 3.88Å; D165-K168 PolarHBondContact OD1-NZ 3.03Å; K168-I170 PolarHBondContact O-N 3.25Å; K168-L171 PolarHBondContact O-N 3.1Å; K168-L171 VanDerWaalsContact O-N 3.15Å; K168-D172 VanDerWaalsContact O-CG 3.24Å; K168-D172 PolarHBondContact O-N 3.29Å
169F98.6Very high97.9Very high23 Ų2356.3 Ų56.310%0.10127%0.273CS..Hα-helixtrans-61.7-44-178.5-174.4-97000112.5L15 V131 L133 F158 F160 D165 V166 W167 L171 D172 H173L15-F169 HydrophobicContact CD2-CE2 4.38Å; L15-F169 HydrophobicContact CD2-CZ 4.28Å; V131-F169 HydrophobicContact CB-CD1 4.06Å; V131-F169 HydrophobicContact CB-CE1 4.02Å; V131-F169 HydrophobicContact CG1-CD1 4.02Å; V131-F169 HydrophobicContact CG1-CE1 3.87Å; V131-F169 HydrophobicContact CG2-CD1 4.19Å; L133-F169 HydrophobicContact CD1-CE1 3.67Å; L133-F169 HydrophobicContact CD1-CZ 3.66Å; L133-F169 HydrophobicContact CG-CE1 4.32Å; F158-F169 HydrophobicContact CB-CE1 4.09Å; F158-F169 HydrophobicContact CB-CZ 4.03Å; F158-F169 HydrophobicContact CD1-CE2 4.06Å; F158-F169 AromaticContact CD1-CZ 3.74Å; F158-F169 HydrophobicContact CD1-CZ 3.74Å; F158-F169 HydrophobicContact CD2-CE1 4.04Å; F158-F169 AromaticContact CD2-CZ 3.7Å; F158-F169 HydrophobicContact CD2-CZ 3.7Å; F158-F169 HydrophobicContact CE1-CE2 4.4Å; F158-F169 HydrophobicContact CE1-CZ 4.09Å; F158-F169 HydrophobicContact CE2-CZ 4.08Å; F158-F169 AromaticContact CG-CE1 3.99Å; F158-F169 HydrophobicContact CG-CE1 3.99Å; F158-F169 HydrophobicContact CG-CE2 4.25Å; F158-F169 AromaticContact CG-CZ 3.53Å; F158-F169 HydrophobicContact CG-CZ 3.53Å; F158-F169 HydrophobicContact CZ-CZ 4.26Å; F160-F169 HydrophobicContact CE1-CB 4.18Å; F160-F169 HydrophobicContact CE1-CD2 4.3Å; F160-F169 HydrophobicContact CE1-CG 4.23Å; F160-F169 HydrophobicContact CE2-CB 4.24Å; F160-F169 AromaticContact CE2-CD1 3.91Å; F160-F169 HydrophobicContact CE2-CD1 3.91Å; F160-F169 HydrophobicContact CE2-CE1 4.42Å; F160-F169 HydrophobicContact CE2-CG 4Å; F160-F169 HydrophobicContact CZ-CB 3.7Å; F160-F169 AromaticContact CZ-CD1 3.74Å; F160-F169 HydrophobicContact CZ-CD1 3.74Å; F160-F169 AromaticContact CZ-CD2 3.65Å; F160-F169 HydrophobicContact CZ-CD2 3.65Å; F160-F169 HydrophobicContact CZ-CE1 4.25Å; F160-F169 HydrophobicContact CZ-CE2 4.16Å; F160-F169 AromaticContact CZ-CG 3.4Å; F160-F169 HydrophobicContact CZ-CG 3.4Å; F160-F169 HydrophobicContact CZ-CZ 4.44Å; D165-F169 WeakPolarHBondContact O-CB 3.38Å; D165-F169 PolarHBondContact O-N 2.94Å; V166-F169 PolarHBondContact O-N 3.33Å; W167-F169 PolarHBondContact O-N 3.34Å; F169-L171 VanDerWaalsContact C-N 3.35Å; F169-D172 PolarHBondContact O-N 2.88Å; F169-H173 AromaticContact CD2-CE1 3.87Å; F169-H173 AromaticContact CD2-ND1 3.91Å; F169-H173 AromaticContact CE2-CE1 3.57Å; F169-H173 AromaticContact CE2-ND1 3.84Å; F169-H173 AromaticContact CZ-CE1 3.98Å; F169-H173 AromaticContact CZ-ND1 3.98Å; F169-H173 PolarHBondContact O-N 3.3Å; F169-H173 PolarHBondContact O-ND1 2.98Å
170I98.6Very high97.6Very high0 Ų060.2 Ų60.20%029%0.286CS..Hα-helixtrans-64.9-40.6175.2-69.1173.2000110.9A113 L116 L120 V131 V166 W167 K168 H173 I174 F177A113-I170 HydrophobicContact CB-CG2 4.03Å; L116-I170 HydrophobicContact CB-CD1 4.07Å; L116-I170 HydrophobicContact CB-CG2 4.33Å; L116-I170 HydrophobicContact CD1-CG2 4.06Å; L120-I170 HydrophobicContact CD1-CD1 3.96Å; V131-I170 HydrophobicContact CG1-CG1 4.3Å; V131-I170 HydrophobicContact CG2-CD1 4.17Å; V131-I170 HydrophobicContact CG2-CG1 3.99Å; V166-I170 HydrophobicContact CG1-CD1 3.82Å; V166-I170 HydrophobicContact CG1-CG1 4.47Å; V166-I170 WeakPolarHBondContact O-CB 3.35Å; V166-I170 VanDerWaalsContact O-CG1 3.31Å; V166-I170 WeakPolarHBondContact O-CG1 3.36Å; V166-I170 PolarHBondContact O-N 3.34Å; W167-I170 PolarHBondContact O-N 3.12Å; K168-I170 PolarHBondContact O-N 3.25Å; I170-H173 CarbonylContact O-C 3.56Å; I170-H173 VanDerWaalsContact O-C 3.27Å; I170-H173 PolarHBondContact O-N 3.1Å; I170-I174 HydrophobicContact CG2-CD1 4.22Å; I170-I174 VanDerWaalsContact O-CA 3.22Å; I170-I174 WeakPolarHBondContact O-CA 3.48Å; I170-I174 PolarHBondContact O-N 3.46Å; I170-F177 HydrophobicContact CG2-CD2 4.25Å; I170-F177 HydrophobicContact CG2-CE2 4.21Å
171L98.4Very high97.3Very high40 Ų4059.2 Ų59.221%0.20929%0.286CS..Hα-helixtrans-64.1-43.5179-17663.5000111.7D109 A113 W167 K168 F169 H173 I174D109-L171 HydrophobicContact CB-CD1 4.05Å; A113-L171 HydrophobicContact CB-CB 3.94Å; A113-L171 HydrophobicContact CB-CD1 4.03Å; W167-L171 HydrophobicContact CH2-CD2 3.45Å; W167-L171 VanDerWaalsContact CH2-CD2 3.45Å; W167-L171 HydrophobicContact CZ2-CD2 3.7Å; W167-L171 HydrophobicContact CZ3-CD2 3.95Å; W167-L171 WeakPolarHBondContact O-CB 3.26Å; W167-L171 PolarHBondContact O-N 3.49Å; K168-L171 PolarHBondContact O-N 3.1Å; K168-L171 VanDerWaalsContact O-N 3.15Å; F169-L171 VanDerWaalsContact C-N 3.35Å; L171-H173 PolarHBondContact O-N 3.39Å; L171-I174 WeakPolarHBondContact O-CB 3.46Å; L171-I174 WeakPolarHBondContact O-CG2 3.47Å; L171-I174 PolarHBondContact O-N 3.35Å
172D97.8Very high97.1Very high125 Ų12553.9 Ų53.967%0.66826%0.258SS*.Hα-helixtrans-64-29.2177.9-67.6-19.7000111.9K168 F169K168-D172 VanDerWaalsContact O-CG 3.24Å; K168-D172 PolarHBondContact O-N 3.29Å; F169-D172 PolarHBondContact O-N 2.88Å
173H97.8Very high96.9Very high40 Ų4046.5 Ų46.519%0.18523%0.23CC..THydrogen-bonded Turntrans-110.925.5179.6-57.286.7000112.9L15 L133 F169 I170 L171 Q175 C176L15-H173 WeakPolarHBondContact CD2-NE2 3.49Å; L133-H173 HydrophobicContact CD1-CB 4.13Å; F169-H173 AromaticContact CD2-CE1 3.87Å; F169-H173 AromaticContact CD2-ND1 3.91Å; F169-H173 AromaticContact CE2-CE1 3.57Å; F169-H173 AromaticContact CE2-ND1 3.84Å; F169-H173 AromaticContact CZ-CE1 3.98Å; F169-H173 AromaticContact CZ-ND1 3.98Å; F169-H173 PolarHBondContact O-N 3.3Å; F169-H173 PolarHBondContact O-ND1 2.98Å; I170-H173 CarbonylContact O-C 3.56Å; I170-H173 VanDerWaalsContact O-C 3.27Å; I170-H173 PolarHBondContact O-N 3.1Å; L171-H173 PolarHBondContact O-N 3.39Å; H173-Q175 PolarHBondContact O-N 3.36Å; H173-C176 WeakPolarHBondContact O-CB 3.27Å; H173-C176 PolarHBondContact O-N 3.17Å
174I98Very high96.9Very high9 Ų942.7 Ų42.75%0.04621%0.214CC..THydrogen-bonded Turntrans-59.1-30.6-170.1-165.562.3000112.7D109 L112 A113 I170 L171 C176 F177 K178D109-I174 HydrophobicContact CB-CG1 4.39Å; L112-I174 HydrophobicContact CB-CD1 4.27Å; L112-I174 HydrophobicContact CD2-CD1 3.76Å; L112-I174 HydrophobicContact CD2-CG1 4.31Å; L112-I174 HydrophobicContact CG-CD1 3.91Å; A113-I174 HydrophobicContact CB-CD1 4.32Å; I170-I174 HydrophobicContact CG2-CD1 4.22Å; I170-I174 VanDerWaalsContact O-CA 3.22Å; I170-I174 WeakPolarHBondContact O-CA 3.48Å; I170-I174 PolarHBondContact O-N 3.46Å; L171-I174 WeakPolarHBondContact O-CB 3.46Å; L171-I174 WeakPolarHBondContact O-CG2 3.47Å; L171-I174 PolarHBondContact O-N 3.35Å; I174-C176 PolarHBondContact O-N 2.8Å; I174-F177 PolarHBondContact O-N 2.8Å; I174-K178 HydrophobicContact CG1-CD 4.16Å; I174-K178 HydrophobicContact CG1-CG 4.46Å; I174-K178 WeakPolarHBondContact O-CG 3.29Å; I174-K178 PolarHBondContact O-N 3.09Å; I174-K178 VanDerWaalsContact O-N 3.08Å
175Q97.3Very high96.9Very high95 Ų9538.1 Ų38.144%0.44419%0.19SC..Hα-helixtrans-60.2-31.3178.2-60.2-61-18.900112.5L9 H173 F177 K178 A179L9-Q175 HydrophobicContact CD2-CB 3.8Å; H173-Q175 PolarHBondContact O-N 3.36Å; Q175-F177 PolarHBondContact O-N 3.06Å; Q175-F177 VanDerWaalsContact O-N 3.15Å; Q175-K178 VanDerWaalsContact CD-CE 3.44Å; Q175-K178 PolarHBondContact O-N 3.49Å; Q175-K178 VanDerWaalsContact OE1-CE 3.32Å; Q175-A179 HydrophobicContact CB-CB 4.49Å; Q175-A179 WeakPolarHBondContact O-CB 3.43Å; Q175-A179 PolarHBondContact O-N 3.01Å
176C97Very high96.9Very high10 Ų1035.8 Ų35.87%0.06818%0.177CC..Hα-helixtrans-63-22175-58.10000112.2L133 H173 I174 S182 L187L133-C176 HydrophobicContact CD2-CB 3.86Å; H173-C176 WeakPolarHBondContact O-CB 3.27Å; H173-C176 PolarHBondContact O-N 3.17Å; I174-C176 PolarHBondContact O-N 2.8Å; C176-S182 WeakPolarHBondContact O-CB 3.32Å; C176-S182 PolarHBondContact O-OG 2.94Å; C176-L187 HydrophobicContact CB-CD1 4.23Å; C176-L187 WeakPolarHBondContact O-CD1 3.46Å
177F97.9Very high96.8Very high1 Ų136 Ų360%0.00418%0.178CC..Hα-helixtrans-101.7-29.6-179.9-61.6-78.2000113.7F49 L116 V131 L133 I170 I174 Q175 L187 F188F49-F177 HydrophobicContact CD2-CB 4.15Å; F49-F177 WeakPolarHBondContact CD2-O 3.33Å; F49-F177 PolarHBondContact N-O 3.21Å; L116-F177 HydrophobicContact CD1-CB 3.98Å; L116-F177 HydrophobicContact CD1-CD1 4.09Å; L116-F177 HydrophobicContact CD1-CD2 4.34Å; L116-F177 HydrophobicContact CD1-CG 3.86Å; V131-F177 HydrophobicContact CG1-CE2 4.48Å; V131-F177 HydrophobicContact CG1-CZ 3.91Å; L133-F177 HydrophobicContact CD2-CE2 4.07Å; L133-F177 HydrophobicContact CD2-CZ 4.02Å; I170-F177 HydrophobicContact CG2-CD2 4.25Å; I170-F177 HydrophobicContact CG2-CE2 4.21Å; I174-F177 PolarHBondContact O-N 2.8Å; Q175-F177 PolarHBondContact O-N 3.06Å; Q175-F177 VanDerWaalsContact O-N 3.15Å; F177-L187 HydrophobicContact CD1-CB 4.33Å; F177-L187 HydrophobicContact CE1-CB 3.95Å; F177-F188 HydrophobicContact CD1-CB 4.26Å; F177-F188 HydrophobicContact CE1-CB 4.28Å
178K95.8Very high96.8Very high28 Ų2832.4 Ų32.412%0.12216%0.164CC..Hα-helixtrans-111.9-10.6-172.476.7170.1-172.9175.70116.1F48 F49 D109 L112 I174 Q175F48-K178 WeakPolarHBondContact CD2-O 3.23Å; F48-K178 WeakPolarHBondContact CE2-O 3.27Å; F49-K178 WeakPolarHBondContact O-CB 3.42Å; D109-K178 IonicContact OD1-NZ 2.65Å; D109-K178 PolarHBondContact OD1-NZ 2.87Å; D109-K178 IonicContact OD2-NZ 2.87Å; D109-K178 PolarHBondContact OD2-NZ 3.46Å; L112-K178 HydrophobicContact CD2-CB 4.01Å; I174-K178 HydrophobicContact CG1-CD 4.16Å; I174-K178 HydrophobicContact CG1-CG 4.46Å; I174-K178 WeakPolarHBondContact O-CG 3.29Å; I174-K178 PolarHBondContact O-N 3.09Å; I174-K178 VanDerWaalsContact O-N 3.08Å; Q175-K178 VanDerWaalsContact CD-CE 3.44Å; Q175-K178 PolarHBondContact O-N 3.49Å; Q175-K178 VanDerWaalsContact OE1-CE 3.32Å
179A95.1Very high96.8Very high21 Ų2127.8 Ų27.817%0.17414%0.144CC..SBendtrans-83.4149.9-177.800000111.8L9 Q175 G181 S182L9-A179 HydrophobicContact CD1-CB 3.78Å; L9-A179 HydrophobicContact CD2-CB 3.86Å; L9-A179 HydrophobicContact CG-CB 4.47Å; Q175-A179 HydrophobicContact CB-CB 4.49Å; Q175-A179 WeakPolarHBondContact O-CB 3.43Å; Q175-A179 PolarHBondContact O-N 3.01Å; A179-G181 PolarHBondContact O-N 3.33Å; A179-S182 WeakPolarHBondContact O-CB 3.43Å; A179-S182 PolarHBondContact O-N 3.43Å; A179-S182 VanDerWaalsContact O-N 3.17Å; A179-S182 PolarHBondContact O-OG 3.31Å
180E93.3Very high96.8Very high162 Ų16226.8 Ų26.876%0.75714%0.14SC*.THydrogen-bonded Turntrans-59.4136.8174.4-171.3179.7-178.500111F48 S182F48-E180 HydrophobicContact CE1-CB 4.28Å; F48-E180 HydrophobicContact CE1-CG 4.19Å; F48-E180 HydrophobicContact CE2-CB 4.5Å; F48-E180 HydrophobicContact CZ-CB 3.97Å; F48-E180 HydrophobicContact CZ-CG 4.21Å; E180-S182 PolarHBondContact O-N 3.4Å
181G91.4Very high96.8Very high19 Ų1926.8 Ų26.820%0.19614%0.14CC..THydrogen-bonded Turntrans75.51.9-178.400000115P6 A179 H183P6-G181 WeakPolarHBondContact CD-O 3.5Å; A179-G181 PolarHBondContact O-N 3.33Å; G181-H183 VanDerWaalsContact C-N 3.27Å; G181-H183 PolarHBondContact O-N 3.36Å
182S93.4Very high96.9Very high2 Ų224.9 Ų24.91%0.01413%0.13CC..SBendtrans-73.1-18.7-179.988.20000114.3C176 A179 E180 G184C176-S182 WeakPolarHBondContact O-CB 3.32Å; C176-S182 PolarHBondContact O-OG 2.94Å; A179-S182 WeakPolarHBondContact O-CB 3.43Å; A179-S182 PolarHBondContact O-N 3.43Å; A179-S182 VanDerWaalsContact O-N 3.17Å; A179-S182 PolarHBondContact O-OG 3.31Å; E180-S182 PolarHBondContact O-N 3.4Å; S182-G184 PolarHBondContact O-N 3.11Å; S182-G184 WeakPolarHBondContact OG-CA 3.42Å; S182-G184 PolarHBondContact OG-N 3.47Å
183H95.3Very high96.9Very high1 Ų119 Ų191%0.00510%0.098CC..  trans58.133.9-169.9-48.8-40.7000112C3 R45 S47 F151 G181 V185 I186 L187C3-H183 PolarHBondContact O-NE2 2.8Å; R45-H183 VanDerWaalsContact C-ND1 3.33Å; R45-H183 PolarHBondContact O-CE1 3.29Å; R45-H183 PolarHBondContact O-ND1 3.5Å; S47-H183 CarbonylContact O-C 3.56Å; F151-H183 HydrophobicContact CD2-CB 4.38Å; F151-H183 AromaticContact CD2-CD2 3.47Å; F151-H183 VanDerWaalsContact CD2-CD2 3.47Å; F151-H183 WeakPolarHBondContact CD2-CD2 3.2Å; F151-H183 HydrophobicContact CE2-CB 3.6Å; F151-H183 AromaticContact CE2-CD2 3.41Å; F151-H183 VanDerWaalsContact CE2-CD2 3.41Å; F151-H183 WeakPolarHBondContact CE2-CD2 3.21Å; F151-H183 AromaticContact CE2-CG 3.86Å; F151-H183 HydrophobicContact CZ-CB 3.83Å; G181-H183 VanDerWaalsContact C-N 3.27Å; G181-H183 PolarHBondContact O-N 3.36Å; H183-V185 VanDerWaalsContact C-N 3.27Å; H183-V185 PolarHBondContact O-N 3.4Å; H183-V185 VanDerWaalsContact O-N 3.13Å; H183-I186 HydrophobicContact CB-CB 4.38Å; H183-I186 HydrophobicContact CB-CD1 4.29Å; H183-I186 WeakPolarHBondContact O-CA 3.42Å; H183-I186 WeakPolarHBondContact O-CB 3.25Å; H183-I186 PolarHBondContact O-N 2.89Å; H183-L187 PolarHBondContact O-N 3.49Å
184G97.2Very high96.9Very high0 Ų017.8 Ų17.80%010%0.095CC..Hα-helixtrans-56.3-33.2-16800000115.3S47 S182 L187 F188S47-G184 PolarHBondContact O-N 3.34Å; S182-G184 PolarHBondContact O-N 3.11Å; S182-G184 WeakPolarHBondContact OG-CA 3.42Å; S182-G184 PolarHBondContact OG-N 3.47Å; G184-L187 PolarHBondContact O-N 3.24Å; G184-F188 WeakPolarHBondContact O-CB 2.88Å; G184-F188 PolarHBondContact O-N 2.99Å
185V97.9Very high97Very high0 Ų017.5 Ų17.50%09%0.093CC..Hα-helixtrans-69-37.6175.6-179.80000111.2W44 S47 F49 A69 I72 Q73 H183 F188 L189W44-V185 HydrophobicContact CZ3-CG1 4.25Å; S47-V185 PolarHBondContact O-N 3.33Å; S47-V185 WeakPolarHBondContact OG-CB 3.15Å; F49-V185 HydrophobicContact CE1-CG2 4.15Å; F49-V185 HydrophobicContact CE2-CG2 4.16Å; F49-V185 HydrophobicContact CZ-CB 4.41Å; F49-V185 HydrophobicContact CZ-CG2 3.97Å; A69-V185 HydrophobicContact CB-CG1 4.03Å; I72-V185 HydrophobicContact CB-CG1 3.96Å; I72-V185 HydrophobicContact CD1-CG1 3.83Å; I72-V185 HydrophobicContact CG1-CG1 4.42Å; I72-V185 HydrophobicContact CG2-CG1 4Å; Q73-V185 HydrophobicContact CG-CG2 3.86Å; H183-V185 VanDerWaalsContact C-N 3.27Å; H183-V185 PolarHBondContact O-N 3.4Å; H183-V185 VanDerWaalsContact O-N 3.13Å; V185-F188 PolarHBondContact O-N 2.75Å; V185-L189 WeakPolarHBondContact O-CB 3.31Å; V185-L189 PolarHBondContact O-N 2.66Å
186I97.6Very high97Very high2 Ų213.5 Ų13.51%0.017%0.074CC..Hα-helixtrans-67.1-45175.6-61.2175.1000110F40 W44 R45 F151 H183 F188 L189 Y190F40-I186 HydrophobicContact CB-CD1 3.65Å; F40-I186 HydrophobicContact CD1-CD1 4.21Å; F40-I186 HydrophobicContact CD1-CG1 4.28Å; F40-I186 HydrophobicContact CD2-CD1 3.81Å; F40-I186 HydrophobicContact CD2-CG1 4.1Å; F40-I186 HydrophobicContact CD2-CG2 3.69Å; F40-I186 HydrophobicContact CE1-CG1 4.49Å; F40-I186 HydrophobicContact CE2-CG1 4.33Å; F40-I186 HydrophobicContact CE2-CG2 3.56Å; F40-I186 HydrophobicContact CG-CD1 3.63Å; F40-I186 HydrophobicContact CG-CG1 4.07Å; F40-I186 HydrophobicContact CG-CG2 4.49Å; F40-I186 HydrophobicContact CZ-CG2 4.26Å; W44-I186 HydrophobicContact CB-CD1 4.2Å; W44-I186 HydrophobicContact CE3-CG1 4.26Å; R45-I186 HydrophobicContact CG-CD1 4.14Å; F151-I186 HydrophobicContact CD1-CG2 4.14Å; F151-I186 HydrophobicContact CE1-CB 4.29Å; F151-I186 HydrophobicContact CE1-CG2 3.54Å; F151-I186 HydrophobicContact CZ-CB 4.5Å; F151-I186 HydrophobicContact CZ-CG2 4.2Å; H183-I186 HydrophobicContact CB-CB 4.38Å; H183-I186 HydrophobicContact CB-CD1 4.29Å; H183-I186 WeakPolarHBondContact O-CA 3.42Å; H183-I186 WeakPolarHBondContact O-CB 3.25Å; H183-I186 PolarHBondContact O-N 2.89Å; I186-F188 VanDerWaalsContact C-N 3.33Å; I186-F188 PolarHBondContact O-N 3.18Å; I186-L189 PolarHBondContact O-N 3.34Å; I186-L189 VanDerWaalsContact O-N 3.16Å; I186-Y190 HydrophobicContact CG2-CD2 3.76Å; I186-Y190 HydrophobicContact CG2-CE2 3.34Å; I186-Y190 WeakPolarHBondContact O-CD2 3.31Å; I186-Y190 PolarHBondContact O-N 2.79Å
187L97.8Very high97.1Very high4 Ų415.5 Ų15.52%0.0219%0.086CC..Hα-helixtrans-57.3-46.3174.9-75.6-178.9000112.3T132 V134 F151 L155 C176 F177 H183 G184 L189 Y190 S191T132-L187 PolarHBondContact OG1-O 3.01Å; V134-L187 HydrophobicContact CG2-CD2 3.69Å; F151-L187 HydrophobicContact CE1-CD2 4.04Å; F151-L187 HydrophobicContact CE2-CD2 4.41Å; F151-L187 HydrophobicContact CZ-CD2 3.49Å; F151-L187 VanDerWaalsContact CZ-CD2 3.49Å; F151-L187 HydrophobicContact CZ-CG 3.75Å; L155-L187 HydrophobicContact CD2-CD2 3.84Å; C176-L187 HydrophobicContact CB-CD1 4.23Å; C176-L187 WeakPolarHBondContact O-CD1 3.46Å; F177-L187 HydrophobicContact CD1-CB 4.33Å; F177-L187 HydrophobicContact CE1-CB 3.95Å; H183-L187 PolarHBondContact O-N 3.49Å; G184-L187 PolarHBondContact O-N 3.24Å; L187-L189 VanDerWaalsContact C-N 3.32Å; L187-L189 PolarHBondContact O-N 2.89Å; L187-Y190 PolarHBondContact O-N 2.92Å; L187-S191 WeakPolarHBondContact O-CB 3.26Å; L187-S191 PolarHBondContact O-N 3.37Å; L187-S191 PolarHBondContact O-OG 3.18Å
188F98.8Very high97Very high1 Ų116.2 Ų16.20%0.0049%0.09CC..Hα-helixtrans-64.1-38.6177.2172.8-110.8000112.1F49 I72 I76 L116 L120 F177 G184 V185 I186 S191 L192 L230F49-F188 HydrophobicContact CE2-CB 3.71Å; F49-F188 HydrophobicContact CE2-CD1 4.31Å; F49-F188 HydrophobicContact CE2-CG 4.14Å; F49-F188 HydrophobicContact CZ-CB 4.01Å; F49-F188 AromaticContact CZ-CD1 3.75Å; F49-F188 HydrophobicContact CZ-CD1 3.75Å; F49-F188 HydrophobicContact CZ-CG 4.04Å; I72-F188 HydrophobicContact CG2-CD1 3.84Å; I72-F188 HydrophobicContact CG2-CE1 3.9Å; I76-F188 HydrophobicContact CD1-CE1 3.7Å; I76-F188 HydrophobicContact CD1-CZ 3.64Å; I76-F188 HydrophobicContact CG1-CE1 3.99Å; I76-F188 HydrophobicContact CG1-CZ 4.39Å; L116-F188 HydrophobicContact CB-CD2 4.27Å; L116-F188 HydrophobicContact CB-CE2 4.17Å; L116-F188 HydrophobicContact CD2-CB 4.45Å; L116-F188 HydrophobicContact CD2-CD1 4.21Å; L116-F188 HydrophobicContact CD2-CD2 3.52Å; L116-F188 HydrophobicContact CD2-CE1 4.35Å; L116-F188 HydrophobicContact CD2-CE2 3.69Å; L116-F188 HydrophobicContact CD2-CG 3.79Å; L116-F188 HydrophobicContact CD2-CZ 4.12Å; L116-F188 HydrophobicContact CG-CD2 4.37Å; L120-F188 HydrophobicContact CD2-CD2 3.99Å; L120-F188 HydrophobicContact CD2-CE2 3.61Å; L120-F188 HydrophobicContact CD2-CZ 4.47Å; L120-F188 HydrophobicContact CG-CD2 4.39Å; L120-F188 HydrophobicContact CG-CE2 3.92Å; F177-F188 HydrophobicContact CD1-CB 4.26Å; F177-F188 HydrophobicContact CE1-CB 4.28Å; G184-F188 WeakPolarHBondContact O-CB 2.88Å; G184-F188 PolarHBondContact O-N 2.99Å; V185-F188 PolarHBondContact O-N 2.75Å; I186-F188 VanDerWaalsContact C-N 3.33Å; I186-F188 PolarHBondContact O-N 3.18Å; F188-S191 WeakPolarHBondContact O-CB 3.48Å; F188-S191 PolarHBondContact O-N 2.88Å; F188-L192 HydrophobicContact CZ-CD1 4.41Å; F188-L192 WeakPolarHBondContact O-CB 2.98Å; F188-L192 PolarHBondContact O-N 2.88Å; F188-L230 HydrophobicContact CE1-CD2 3.52Å; F188-L230 HydrophobicContact CZ-CD2 3.87Å
189L98.6Very high97.1Very high1 Ų119.6 Ų19.61%0.00511%0.11CC..Hα-helixtrans-64.4-41.6177.1-178.755.5000112.3L32 F40 W44 I72 V185 I186 L187 L192 I193 L226L32-L189 HydrophobicContact CD2-CD1 4.35Å; L32-L189 HydrophobicContact CD2-CD2 3.6Å; L32-L189 HydrophobicContact CD2-CG 3.94Å; F40-L189 HydrophobicContact CE1-CD2 4.28Å; F40-L189 HydrophobicContact CZ-CD2 3.89Å; W44-L189 HydrophobicContact CH2-CD2 4.28Å; W44-L189 HydrophobicContact CZ3-CD2 3.91Å; I72-L189 HydrophobicContact CD1-CB 4.4Å; I72-L189 HydrophobicContact CD1-CD1 4.25Å; I72-L189 HydrophobicContact CD1-CD2 4.04Å; I72-L189 HydrophobicContact CD1-CG 4.48Å; V185-L189 WeakPolarHBondContact O-CB 3.31Å; V185-L189 PolarHBondContact O-N 2.66Å; I186-L189 PolarHBondContact O-N 3.34Å; I186-L189 VanDerWaalsContact O-N 3.16Å; L187-L189 VanDerWaalsContact C-N 3.32Å; L187-L189 PolarHBondContact O-N 2.89Å; L189-L192 WeakPolarHBondContact O-CB 3.49Å; L189-L192 PolarHBondContact O-N 2.95Å; L189-I193 HydrophobicContact CD1-CD1 4.22Å; L189-I193 HydrophobicContact CG-CD1 4.23Å; L189-I193 WeakPolarHBondContact O-CG1 3.44Å; L189-I193 PolarHBondContact O-N 2.88Å; L189-L226 HydrophobicContact CD1-CD1 3.59Å; L189-L226 HydrophobicContact CD1-CD2 3.96Å; L189-L226 HydrophobicContact CD1-CG 4.44Å
190Y98.7Very high97.1Very high1 Ų122.2 Ų22.20%0.00412%0.115CC..Hα-helixtrans-63.8-44.1172.3-71.9-50000112L28 L32 F40 F151 T152 L155 I186 L187 L192 I193 C194L28-Y190 HydrophobicContact CB-CD1 4.32Å; L28-Y190 HydrophobicContact CB-CE1 4.01Å; L28-Y190 HydrophobicContact CD1-CD1 3.73Å; L28-Y190 HydrophobicContact CD1-CE1 3.95Å; L28-Y190 HydrophobicContact CD2-CD1 4.03Å; L28-Y190 HydrophobicContact CG-CD1 4.23Å; L28-Y190 HydrophobicContact CG-CE1 4.38Å; L32-Y190 HydrophobicContact CD1-CD1 4.25Å; L32-Y190 HydrophobicContact CD1-CE1 3.56Å; F40-Y190 HydrophobicContact CE2-CE1 4.48Å; F40-Y190 HydrophobicContact CE2-CE2 4.31Å; F40-Y190 AromaticContact CE2-CZ 3.86Å; F40-Y190 WeakPolarHBondContact CE2-OH 3.45Å; F151-Y190 AromaticContact CD1-CE2 3.9Å; F151-Y190 HydrophobicContact CD1-CE2 3.9Å; F151-Y190 AromaticContact CE1-CD2 4Å; F151-Y190 HydrophobicContact CE1-CD2 4Å; F151-Y190 AromaticContact CE1-CE2 3.69Å; F151-Y190 HydrophobicContact CE1-CE2 3.69Å; T152-Y190 PolarHBondContact OG1-OH 3.21Å; L155-Y190 HydrophobicContact CD1-CD1 4.42Å; L155-Y190 HydrophobicContact CD1-CD2 3.68Å; L155-Y190 HydrophobicContact CD1-CE2 4Å; L155-Y190 HydrophobicContact CD1-CG 3.91Å; L155-Y190 HydrophobicContact CD2-CD2 4.26Å; I186-Y190 HydrophobicContact CG2-CD2 3.76Å; I186-Y190 HydrophobicContact CG2-CE2 3.34Å; I186-Y190 WeakPolarHBondContact O-CD2 3.31Å; I186-Y190 PolarHBondContact O-N 2.79Å; L187-Y190 PolarHBondContact O-N 2.92Å; Y190-L192 VanDerWaalsContact C-N 3.27Å; Y190-L192 PolarHBondContact O-N 3.01Å; Y190-I193 PolarHBondContact O-N 3.04Å; Y190-C194 WeakPolarHBondContact O-CB 3.22Å; Y190-C194 PolarHBondContact O-N 3.48Å; Y190-C194 PolarHBondContact O-SG 3.22Å; Y190-C194 VanDerWaalsContact O-SG 3.34Å
191S98.8Very high97.3Very high0 Ų014.5 Ų14.50%08%0.079CC..Hα-helixtrans-54.8-43.8173.8-56.90000111.7T130 T132 L187 F188 C194 S195T130-S191 CarbonylContact O-C 3.49Å; T130-S191 WeakPolarHBondContact O-CA 3.14Å; T130-S191 WeakPolarHBondContact O-CB 3.22Å; T132-S191 PolarHBondContact N-OG 2.67Å; T132-S191 PolarHBondContact OG1-N 3.28Å; T132-S191 PolarHBondContact OG1-OG 3.42Å; L187-S191 WeakPolarHBondContact O-CB 3.26Å; L187-S191 PolarHBondContact O-N 3.37Å; L187-S191 PolarHBondContact O-OG 3.18Å; F188-S191 WeakPolarHBondContact O-CB 3.48Å; F188-S191 PolarHBondContact O-N 2.88Å; S191-C194 PolarHBondContact O-N 2.86Å; S191-S195 WeakPolarHBondContact O-CB 3.48Å; S191-S195 PolarHBondContact O-N 3.32Å; S191-S195 PolarHBondContact O-OG 3.11Å
192L98.8Very high97.5Very high1 Ų119.5 Ų19.51%0.0059%0.092CC..Hα-helixtrans-64.8-45.8179.7-171.475.2000111.9L120 A123 F188 L189 Y190 S195 R196 L226 L229 L230L120-L192 VanDerWaalsContact CD2-CA 3.48Å; L120-L192 HydrophobicContact CD2-CB 3.98Å; L120-L192 HydrophobicContact CD2-CD1 4.09Å; L120-L192 VanDerWaalsContact CD2-N 3.35Å; A123-L192 HydrophobicContact CB-CD1 3.66Å; A123-L192 HydrophobicContact CB-CG 4.4Å; F188-L192 HydrophobicContact CZ-CD1 4.41Å; F188-L192 WeakPolarHBondContact O-CB 2.98Å; F188-L192 PolarHBondContact O-N 2.88Å; L189-L192 WeakPolarHBondContact O-CB 3.49Å; L189-L192 PolarHBondContact O-N 2.95Å; Y190-L192 VanDerWaalsContact C-N 3.27Å; Y190-L192 PolarHBondContact O-N 3.01Å; L192-S195 PolarHBondContact O-N 3.25Å; L192-R196 PolarHBondContact O-N 3.19Å; L192-L226 HydrophobicContact CD2-CD1 4.05Å; L192-L229 HydrophobicContact CD2-CD2 3.67Å; L192-L229 HydrophobicContact CD2-CG 3.88Å; L192-L229 HydrophobicContact CG-CD2 3.87Å; L192-L229 HydrophobicContact CG-CG 4.06Å; L192-L230 HydrophobicContact CD1-CD2 4.27Å; L192-L230 HydrophobicContact CD2-CD2 3.43Å; L192-L230 VanDerWaalsContact CD2-CD2 3.43Å; L192-L230 HydrophobicContact CD2-CG 3.82Å; L192-L230 HydrophobicContact CG-CD2 4.48Å
193I98.7Very high97.5Very high0 Ų025 Ų250%012%0.122CC..Hα-helixtrans-63.8-44177.6-70.2165.4000110.8L28 I31 L32 L189 Y190 R196 T197 V198 L201 L212L28-I193 HydrophobicContact CD2-CB 4.1Å; L28-I193 HydrophobicContact CD2-CG2 3.4Å; L28-I193 VanDerWaalsContact CD2-CG2 3.4Å; I31-I193 HydrophobicContact CG2-CD1 4.07Å; I31-I193 HydrophobicContact CG2-CG2 3.97Å; L32-I193 HydrophobicContact CD1-CD1 4.15Å; L32-I193 HydrophobicContact CD2-CD1 3.56Å; L32-I193 HydrophobicContact CG-CD1 3.71Å; L189-I193 HydrophobicContact CD1-CD1 4.22Å; L189-I193 HydrophobicContact CG-CD1 4.23Å; L189-I193 WeakPolarHBondContact O-CG1 3.44Å; L189-I193 PolarHBondContact O-N 2.88Å; Y190-I193 PolarHBondContact O-N 3.04Å; I193-R196 PolarHBondContact O-N 3.22Å; I193-T197 WeakPolarHBondContact O-CA 3.48Å; I193-T197 PolarHBondContact O-N 3.46Å; I193-V198 HydrophobicContact CG2-CG2 4.43Å; I193-L201 HydrophobicContact CB-CD1 4.18Å; I193-L201 HydrophobicContact CG1-CD1 4.1Å; I193-L201 HydrophobicContact CG2-CD1 3.71Å; I193-L212 HydrophobicContact CD1-CD1 4.01Å; I193-L212 HydrophobicContact CG1-CD1 3.98Å
194C98.6Very high97.5Very high16 Ų1625.7 Ų25.711%0.10813%0.125CC..Hα-helixtrans-64.7-39.1176.9-70.40000112T130 L157 Y190 S191 T197T130-C194 HydrophobicContact CG2-CB 3.75Å; L157-C194 HydrophobicContact CD2-CB 4.48Å; Y190-C194 WeakPolarHBondContact O-CB 3.22Å; Y190-C194 PolarHBondContact O-N 3.48Å; Y190-C194 PolarHBondContact O-SG 3.22Å; Y190-C194 VanDerWaalsContact O-SG 3.34Å; S191-C194 PolarHBondContact O-N 2.86Å; C194-T197 PolarHBondContact O-N 3.32Å
195S98.7Very high97.3Very high2 Ų226.6 Ų26.61%0.01413%0.13CC..Hα-helixtrans-64.3-42.6176.3-60.50000112.2G124 T130 S191 L192 T197G124-S195 WeakPolarHBondContact CA-O 3.36Å; T130-S195 PolarHBondContact N-OG 2.91Å; T130-S195 PolarHBondContact O-OG 3.37Å; T130-S195 VanDerWaalsContact O-OG 3.05Å; S191-S195 WeakPolarHBondContact O-CB 3.48Å; S191-S195 PolarHBondContact O-N 3.32Å; S191-S195 PolarHBondContact O-OG 3.11Å; L192-S195 PolarHBondContact O-N 3.25Å; S195-T197 VanDerWaalsContact C-N 3.34Å
196R98.2Very high96.7Very high12 Ų1227.9 Ų27.95%0.04514%0.139CC..Hα-helixtrans-71.4-30.6174.7-174.658.6-177.5141.36112.7A123 Q125 L192 I193 R200 L201 D204 L229 G233A123-R196 HydrophobicContact CB-CB 4.35Å; A123-R196 WeakPolarHBondContact O-CA 3.16Å; A123-R196 WeakPolarHBondContact O-CD 3.27Å; Q125-R196 VanDerWaalsContact CD-NH1 3.26Å; L192-R196 PolarHBondContact O-N 3.19Å; I193-R196 PolarHBondContact O-N 3.22Å; R196-R200 HydrophobicContact CG-CB 4.41Å; R196-R200 VanDerWaalsContact O-CB 3.27Å; R196-R200 WeakPolarHBondContact O-CB 3.47Å; R196-R200 WeakPolarHBondContact O-CD 3.13Å; R196-L201 HydrophobicContact CB-CD1 4.47Å; R196-L201 HydrophobicContact CB-CD2 4.22Å; R196-L201 HydrophobicContact CB-CG 4.08Å; R196-L201 HydrophobicContact CG-CD2 3.64Å; R196-L201 HydrophobicContact CG-CG 3.65Å; R196-D204 IonicContact CZ-OD1 3.34Å; R196-D204 IonicContact CZ-OD2 2.79Å; R196-D204 IonicContact NE-OD1 2.66Å; R196-D204 IonicContact NE-OD2 2.77Å; R196-D204 PolarHBondContact NE-OD2 2.85Å; R196-D204 VanDerWaalsContact NH2-CG 3.31Å; R196-D204 IonicContact NH2-OD1 3.01Å; R196-D204 PolarHBondContact NH2-OD1 2.71Å; R196-D204 IonicContact NH2-OD2 3.68Å; R196-D204 PolarHBondContact NH2-OD2 3.12Å; R196-L229 HydrophobicContact CB-CD1 4.03Å; R196-L229 HydrophobicContact CG-CD1 3.89Å; R196-G233 WeakPolarHBondContact CD-O 3.09Å; R196-G233 PolarHBondContact NE-O 2.69Å
197T98.1Very high95.9Very high52 Ų5233.3 Ų33.332%0.31918%0.177SC..  trans73.2147.8-166.586.40000114.3I193 C194 S195 D199 R200 L201I193-T197 WeakPolarHBondContact O-CA 3.48Å; I193-T197 PolarHBondContact O-N 3.46Å; C194-T197 PolarHBondContact O-N 3.32Å; S195-T197 VanDerWaalsContact C-N 3.34Å; T197-D199 PolarHBondContact O-N 3.25Å; T197-R200 WeakPolarHBondContact OG1-CG 3.27Å; T197-R200 PolarHBondContact OG1-N 2.97Å; T197-L201 WeakPolarHBondContact O-CG 3.5Å; T197-L201 PolarHBondContact O-N 3.03Å
198V97.1Very high95.3Very high16 Ų1638.4 Ų38.410%0.09720%0.204CC..Hα-helixtrans-63.6-41-178.9175.50000111.4L24 I193 L201 R202L24-V198 HydrophobicContact CD1-CG2 4.24Å; I193-V198 HydrophobicContact CG2-CG2 4.43Å; V198-L201 WeakPolarHBondContact O-CB 3.29Å; V198-L201 PolarHBondContact O-N 2.88Å; V198-R202 VanDerWaalsContact CG1-CZ 3.46Å; V198-R202 WeakPolarHBondContact O-CG 3.34Å; V198-R202 PolarHBondContact O-N 3.2Å
199D96.5Very high94.8Very high99 Ų9939.1 Ų39.153%0.52921%0.209SC..Hα-helixtrans-67.5-45.4-176.8-62.3-38.1000111.3T197 L201 R202 D203T197-D199 PolarHBondContact O-N 3.25Å; D199-L201 VanDerWaalsContact C-N 3.27Å; D199-L201 PolarHBondContact O-N 2.95Å; D199-R202 WeakPolarHBondContact O-CB 3.32Å; D199-R202 PolarHBondContact O-N 3.42Å; D199-R202 IonicContact OD1-NH1 2.69Å; D199-R202 PolarHBondContact OD1-NH1 3.41Å; D199-D203 PolarHBondContact O-N 2.99Å; D199-D203 VanDerWaalsContact O-N 3.1Å
200R96.8Very high94.5Very high75 Ų7542.4 Ų42.428%0.28323%0.232SC..Hα-helixtrans-64.8-31.4174.8-70.3172.1169.6-177.2-4.2112.4R196 T197 D203 D204R196-R200 HydrophobicContact CG-CB 4.41Å; R196-R200 VanDerWaalsContact O-CB 3.27Å; R196-R200 WeakPolarHBondContact O-CB 3.47Å; R196-R200 WeakPolarHBondContact O-CD 3.13Å; T197-R200 WeakPolarHBondContact OG1-CG 3.27Å; T197-R200 PolarHBondContact OG1-N 2.97Å; R200-D203 PolarHBondContact O-N 3.45Å; R200-D204 VanDerWaalsContact O-CG 3.22Å; R200-D204 PolarHBondContact O-N 3.49Å
201L96.9Very high94.4Very high0 Ų044 Ų440%024%0.239CC..Hα-helixtrans-66.4-39.1171.6-77.6170.9000112.1I31 I193 R196 T197 V198 D199 D203 D204 L205 L212 L229 A235I31-L201 HydrophobicContact CD1-CB 4.1Å; I31-L201 HydrophobicContact CG1-CB 4.12Å; I31-L201 HydrophobicContact CG1-CD1 4.04Å; I193-L201 HydrophobicContact CB-CD1 4.18Å; I193-L201 HydrophobicContact CG1-CD1 4.1Å; I193-L201 HydrophobicContact CG2-CD1 3.71Å; R196-L201 HydrophobicContact CB-CD1 4.47Å; R196-L201 HydrophobicContact CB-CD2 4.22Å; R196-L201 HydrophobicContact CB-CG 4.08Å; R196-L201 HydrophobicContact CG-CD2 3.64Å; R196-L201 HydrophobicContact CG-CG 3.65Å; T197-L201 WeakPolarHBondContact O-CG 3.5Å; T197-L201 PolarHBondContact O-N 3.03Å; V198-L201 WeakPolarHBondContact O-CB 3.29Å; V198-L201 PolarHBondContact O-N 2.88Å; D199-L201 VanDerWaalsContact C-N 3.27Å; D199-L201 PolarHBondContact O-N 2.95Å; L201-D203 PolarHBondContact O-N 3.34Å; L201-D204 PolarHBondContact O-N 3.18Å; L201-L205 WeakPolarHBondContact O-CB 3.25Å; L201-L205 WeakPolarHBondContact O-CD1 3.36Å; L201-L205 WeakPolarHBondContact O-CG 3.33Å; L201-L205 PolarHBondContact O-N 3.02Å; L201-L205 VanDerWaalsContact O-N 3.08Å; L201-L212 HydrophobicContact CD1-CD1 4.45Å; L201-L229 HydrophobicContact CD2-CD1 4.27Å; L201-L229 HydrophobicContact CD2-CD2 3.84Å; L201-A235 HydrophobicContact CD2-CB 3.46Å; L201-A235 VanDerWaalsContact CD2-CB 3.46Å
202R94.9Very high94.3Very high124 Ų12444 Ų4447%0.46824%0.239SC..Hα-helixtrans-61.9-35.4174.4-69.8169.2178144.9-2111.5I31 V198 D199I31-R202 HydrophobicContact CD1-CG 4.41Å; V198-R202 VanDerWaalsContact CG1-CZ 3.46Å; V198-R202 WeakPolarHBondContact O-CG 3.34Å; V198-R202 PolarHBondContact O-N 3.2Å; D199-R202 WeakPolarHBondContact O-CB 3.32Å; D199-R202 PolarHBondContact O-N 3.42Å; D199-R202 IonicContact OD1-NH1 2.69Å; D199-R202 PolarHBondContact OD1-NH1 3.41Å
203D93.4Very high94.3Very high119 Ų11944 Ų4464%0.63624%0.239SC*.Hα-helixtrans-73-34.6175.9-62-24.1000113.1D199 R200 L201 L205D199-D203 PolarHBondContact O-N 2.99Å; D199-D203 VanDerWaalsContact O-N 3.1Å; R200-D203 PolarHBondContact O-N 3.45Å; L201-D203 PolarHBondContact O-N 3.34Å; D203-L205 VanDerWaalsContact C-N 3.34Å
204D94.7Very high94Very high14 Ų1446.9 Ų46.98%0.07525%0.252CS..Hα-helixtrans-69.3-34.3177.3-75.3-15.6000112.7R196 R200 L201 R234 A235R196-D204 IonicContact CZ-OD1 3.34Å; R196-D204 IonicContact CZ-OD2 2.79Å; R196-D204 IonicContact NE-OD1 2.66Å; R196-D204 IonicContact NE-OD2 2.77Å; R196-D204 PolarHBondContact NE-OD2 2.85Å; R196-D204 VanDerWaalsContact NH2-CG 3.31Å; R196-D204 IonicContact NH2-OD1 3.01Å; R196-D204 PolarHBondContact NH2-OD1 2.71Å; R196-D204 IonicContact NH2-OD2 3.68Å; R196-D204 PolarHBondContact NH2-OD2 3.12Å; R200-D204 VanDerWaalsContact O-CG 3.22Å; R200-D204 PolarHBondContact O-N 3.49Å; L201-D204 PolarHBondContact O-N 3.18Å; D204-R234 WeakPolarHBondContact OD2-CA 3.36Å; D204-A235 HydrophobicContact CB-CB 3.87Å; D204-A235 PolarHBondContact OD2-N 3.45Å
205L93.3Very high93.7Very high20 Ų2050.7 Ų50.711%0.10527%0.271CS..SBendtrans-79.5168-175.9-72.8175.6000111.7I31 L201 D203 T209 L212 A225 A235 P237I31-L205 HydrophobicContact CD1-CD1 3.57Å; I31-L205 HydrophobicContact CG1-CD1 4.41Å; L201-L205 WeakPolarHBondContact O-CB 3.25Å; L201-L205 WeakPolarHBondContact O-CD1 3.36Å; L201-L205 WeakPolarHBondContact O-CG 3.33Å; L201-L205 PolarHBondContact O-N 3.02Å; L201-L205 VanDerWaalsContact O-N 3.08Å; D203-L205 VanDerWaalsContact C-N 3.34Å; L205-T209 VanDerWaalsContact CB-O 3.27Å; L205-T209 WeakPolarHBondContact CB-O 3.4Å; L205-T209 HydrophobicContact CD2-CG2 4.24Å; L205-T209 WeakPolarHBondContact CD2-O 3.32Å; L205-L212 HydrophobicContact CD2-CD2 4.32Å; L205-A225 HydrophobicContact CD2-CB 3.63Å; L205-A235 HydrophobicContact CD2-CB 4.36Å; L205-P237 HydrophobicContact CD2-CG 4.5Å
206S85.8Confident93.3Very high26 Ų2653 Ų5318%0.18229%0.287CS..BIsolated β-bridgetrans-119.9166.5-179.354.70000111.1N208 T209S206-N208 PolarHBondContact O-N 3.06Å; S206-N208 PolarHBondContact OG-OD1 3.48Å; S206-T209 PolarHBondContact N-O 2.93Å; S206-T209 CarbonylContact O-C 3.57Å; S206-T209 PolarHBondContact O-N 2.85Å; S206-T209 VanDerWaalsContact O-O 3.1Å
207S81.2Confident92.7Very high116 Ų11660.6 Ų60.681%0.81133%0.328SS*.THydrogen-bonded Turntrans-56-34.9178.251.70000113.3
208N84.1Confident92Very high111 Ų11160.9 Ų60.959%0.59434%0.341SS*.THydrogen-bonded Turntrans-82.9-11.7177.667.92.4000114S206S206-N208 PolarHBondContact O-N 3.06Å; S206-N208 PolarHBondContact OG-OD1 3.48Å
209T88.9Confident91.6Very high16 Ų1662.9 Ų62.910%0.09835%0.351CS..BIsolated β-bridgetrans-137.979.7-177.1-53.70000109.2L205 S206 A225 P237L205-T209 VanDerWaalsContact CB-O 3.27Å; L205-T209 WeakPolarHBondContact CB-O 3.4Å; L205-T209 HydrophobicContact CD2-CG2 4.24Å; L205-T209 WeakPolarHBondContact CD2-O 3.32Å; S206-T209 PolarHBondContact N-O 2.93Å; S206-T209 CarbonylContact O-C 3.57Å; S206-T209 PolarHBondContact O-N 2.85Å; S206-T209 VanDerWaalsContact O-O 3.1Å; T209-A225 HydrophobicContact CG2-CB 4.32Å; T209-P237 HydrophobicContact CG2-CB 4.13Å; T209-P237 HydrophobicContact CG2-CG 3.94Å
210S92.5Very high91.5Very high71 Ų7158.7 Ų58.750%0.49733%0.328SS..  trans-91.5-1.4-17460.10000115.2
211H96.2Very high91.4Very high33 Ų3357 Ų5715%0.15333%0.326CS..SBendtrans-150.6164.9-175.352.6-91.7000110.8I31 L213 R223I31-H211 CarbonylContact O-C 3.5Å; I31-H211 WeakPolarHBondContact O-CA 3.45Å; I31-H211 WeakPolarHBondContact O-CB 3.4Å; H211-L213 PolarHBondContact CD2-O 2.97Å; H211-R223 PolarHBondContact CD2-NE 2.86Å; H211-R223 PolarHBondContact NE2-NE 2.85Å; H211-R223 PolarHBondContact NE2-NH2 2.96Å; H211-R223 WeakPolarHBondContact O-CD 3.49Å
212L97.7Very high91.3Very high0 Ų057.1 Ų57.10%033%0.327CS..SBendtrans-94.5-25.3-167.1-65.6173.9000114.4I31 L32 I193 L201 L205 R223 A225 L226 A235I31-L212 HydrophobicContact CG1-CD1 4.45Å; I31-L212 PolarHBondContact O-N 3.11Å; L32-L212 PolarHBondContact O-N 3.27Å; I193-L212 HydrophobicContact CD1-CD1 4.01Å; I193-L212 HydrophobicContact CG1-CD1 3.98Å; L201-L212 HydrophobicContact CD1-CD1 4.45Å; L205-L212 HydrophobicContact CD2-CD2 4.32Å; L212-R223 WeakPolarHBondContact O-CB 3.4Å; L212-R223 PolarHBondContact O-N 2.82Å; L212-A225 HydrophobicContact CD2-CB 4.11Å; L212-L226 HydrophobicContact CB-CB 4.27Å; L212-L226 HydrophobicContact CB-CD2 4.48Å; L212-L226 HydrophobicContact CD1-CD1 4.45Å; L212-L226 HydrophobicContact CD2-CB 4.25Å; L212-A235 HydrophobicContact CD2-CB 4.16Å
213L97.1Very high91.4Very high1 Ų154.5 Ų54.51%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-121.1137-178.8-55178.7000110.7L32 F33 F40 W44 H211 F220 V221 C222 L226L32-L213 HydrophobicContact CB-CD1 4.48Å; L32-L213 HydrophobicContact CD2-CD1 3.95Å; L32-L213 HydrophobicContact CD2-CG 4.18Å; L32-L213 WeakPolarHBondContact O-CA 3.44Å; L32-L213 VanDerWaalsContact O-CB 3.29Å; L32-L213 WeakPolarHBondContact O-CB 3.49Å; L32-L213 PolarHBondContact O-N 2.82Å; F33-L213 HydrophobicContact CD1-CD1 4.2Å; F33-L213 HydrophobicContact CE1-CD1 3.73Å; F40-L213 HydrophobicContact CE1-CD1 3.63Å; F40-L213 HydrophobicContact CZ-CD1 4.16Å; W44-L213 HydrophobicContact CH2-CD1 4.28Å; W44-L213 HydrophobicContact CH2-CD2 3.91Å; W44-L213 HydrophobicContact CZ2-CD1 4.19Å; W44-L213 HydrophobicContact CZ2-CD2 3.9Å; H211-L213 PolarHBondContact CD2-O 2.97Å; L213-F220 HydrophobicContact CB-CB 4.26Å; L213-F220 HydrophobicContact CB-CD1 4.06Å; L213-F220 HydrophobicContact CB-CG 4.47Å; L213-F220 HydrophobicContact CD1-CB 4.29Å; L213-V221 WeakPolarHBondContact CA-O 3.36Å; L213-C222 HydrophobicContact CD2-CB 4.47Å; L213-L226 HydrophobicContact CD2-CD2 3.66Å
214H94Very high91.5Very high61 Ų6150.9 Ų50.928%0.28230%0.297SS..EExtended strand (participates in β ladder)trans-113.8144172.479.191000110.9F220 V221 R223H214-F220 WeakPolarHBondContact O-CA 3.37Å; H214-V221 PolarHBondContact N-O 2.9Å; H214-V221 PolarHBondContact O-N 2.79Å; H214-R223 HydrophobicContact CB-CG 4.23Å
215L92.3Very high91.6Very high97 Ų9750.3 Ų50.351%0.50829%0.294SS..EExtended strand (participates in β ladder)trans-79.3125.4175.2-17066.1000109.1F220L215-F220 HydrophobicContact CB-CD1 4.26Å; L215-F220 HydrophobicContact CB-CE1 3.94Å; L215-F220 HydrophobicContact CD1-CD1 4.25Å; L215-F220 HydrophobicContact CD1-CD2 4.45Å; L215-F220 HydrophobicContact CD1-CE1 4.07Å; L215-F220 HydrophobicContact CD1-CE2 4.29Å; L215-F220 HydrophobicContact CD1-CG 4.42Å; L215-F220 HydrophobicContact CD1-CZ 4.08Å
216S89.1Confident91.9Very high49 Ų4949.3 Ų49.334%0.34329%0.289SS..EExtended strand (participates in β ladder)trans-140.9128175.6-176.60000109.6G218 N219S216-G218 PolarHBondContact O-N 3Å; S216-G218 VanDerWaalsContact O-N 3.1Å; S216-N219 PolarHBondContact N-O 2.96Å; S216-N219 PolarHBondContact O-N 3.44Å
217L85.8Confident92.4Very high173 Ų17348.1 Ų48.191%0.90628%0.28SS*.THydrogen-bonded Turntrans48.241179-55.9176.1000113.3N219L217-N219 VanDerWaalsContact C-N 3.3Å; L217-N219 PolarHBondContact O-N 2.85Å
218G83.6Confident93.2Very high58 Ų5842.6 Ų42.660%0.59824%0.242SC*.THydrogen-bonded Turntrans77.53.7179.400000116N41 S216N41-G218 PolarHBondContact ND2-O 2.92Å; S216-G218 PolarHBondContact O-N 3Å; S216-G218 VanDerWaalsContact O-N 3.1Å
219N88.6Confident93.9Very high57 Ų5737.3 Ų37.331%0.30521%0.213SC..EExtended strand (participates in β ladder)trans-123.2146.9176.7-79.6-66.6000112N41 S216 L217N41-N219 PolarHBondContact ND2-OD1 3.1Å; S216-N219 PolarHBondContact N-O 2.96Å; S216-N219 PolarHBondContact O-N 3.44Å; L217-N219 VanDerWaalsContact C-N 3.3Å; L217-N219 PolarHBondContact O-N 2.85Å
220F93.8Very high94.4Very high11 Ų1136.6 Ų36.65%0.04821%0.209CC..EExtended strand (participates in β ladder)trans-78.7128.8170-74.8-69.3000110.2F33 H38 W44 G68 L213 H214 L215F33-F220 HydrophobicContact CB-CE1 4.47Å; F33-F220 AromaticContact CD1-CD1 3.82Å; F33-F220 HydrophobicContact CD1-CD1 3.82Å; F33-F220 HydrophobicContact CD1-CD2 4.14Å; F33-F220 AromaticContact CD1-CE1 3.52Å; F33-F220 HydrophobicContact CD1-CE1 3.52Å; F33-F220 AromaticContact CD1-CE2 3.85Å; F33-F220 HydrophobicContact CD1-CE2 3.85Å; F33-F220 HydrophobicContact CD1-CG 4.13Å; F33-F220 AromaticContact CD1-CZ 3.54Å; F33-F220 HydrophobicContact CD1-CZ 3.54Å; F33-F220 HydrophobicContact CE1-CD1 4.22Å; F33-F220 AromaticContact CE1-CD2 3.83Å; F33-F220 HydrophobicContact CE1-CD2 3.83Å; F33-F220 HydrophobicContact CE1-CE1 4.21Å; F33-F220 AromaticContact CE1-CE2 3.81Å; F33-F220 HydrophobicContact CE1-CE2 3.81Å; F33-F220 HydrophobicContact CE1-CG 4.05Å; F33-F220 HydrophobicContact CE1-CZ 4.01Å; F33-F220 HydrophobicContact CG-CE1 4.4Å; F33-F220 HydrophobicContact CG-CZ 4.31Å; H38-F220 HydrophobicContact CB-CE2 4.43Å; H38-F220 HydrophobicContact CB-CZ 3.79Å; H38-F220 AromaticContact CD2-CZ 3.87Å; H38-F220 AromaticContact CG-CZ 3.89Å; W44-F220 PolarHBondContact NE1-O 3.47Å; G68-F220 VanDerWaalsContact CA-O 3.25Å; G68-F220 WeakPolarHBondContact CA-O 3.44Å; L213-F220 HydrophobicContact CB-CB 4.26Å; L213-F220 HydrophobicContact CB-CD1 4.06Å; L213-F220 HydrophobicContact CB-CG 4.47Å; L213-F220 HydrophobicContact CD1-CB 4.29Å; H214-F220 WeakPolarHBondContact O-CA 3.37Å; L215-F220 HydrophobicContact CB-CD1 4.26Å; L215-F220 HydrophobicContact CB-CE1 3.94Å; L215-F220 HydrophobicContact CD1-CD1 4.25Å; L215-F220 HydrophobicContact CD1-CD2 4.45Å; L215-F220 HydrophobicContact CD1-CE1 4.07Å; L215-F220 HydrophobicContact CD1-CE2 4.29Å; L215-F220 HydrophobicContact CD1-CG 4.42Å; L215-F220 HydrophobicContact CD1-CZ 4.08Å
221V94.7Very high94.6Very high39 Ų3933.3 Ų33.324%0.23619%0.186CC..EExtended strand (participates in β ladder)trans-116.3144176.7-176.80000109L213 H214L213-V221 WeakPolarHBondContact CA-O 3.36Å; H214-V221 PolarHBondContact N-O 2.9Å; H214-V221 PolarHBondContact O-N 2.79Å
222C96.4Very high94.7Very high4 Ų432.9 Ų32.93%0.02719%0.185CC..EExtended strand (participates in β ladder)trans-68130.5178.5-62.90000110.9G68 A71 L213 L226G68-C222 PolarHBondContact O-SG 3.31Å; G68-C222 VanDerWaalsContact O-SG 3.4Å; A71-C222 HydrophobicContact CB-CB 3.84Å; L213-C222 HydrophobicContact CD2-CB 4.47Å; C222-L226 HydrophobicContact CB-CD2 4.13Å
223R96.1Very high94.7Very high69 Ų6933 Ų3326%0.2619%0.186SC..  trans-77.6161.4167.1-66.2-179177.9-86.81.1110.5H211 L212 H214 A225 L226 L227H211-R223 PolarHBondContact CD2-NE 2.86Å; H211-R223 PolarHBondContact NE2-NE 2.85Å; H211-R223 PolarHBondContact NE2-NH2 2.96Å; H211-R223 WeakPolarHBondContact O-CD 3.49Å; L212-R223 WeakPolarHBondContact O-CB 3.4Å; L212-R223 PolarHBondContact O-N 2.82Å; H214-R223 HydrophobicContact CB-CG 4.23Å; R223-A225 PolarHBondContact O-N 3.4Å; R223-A225 VanDerWaalsContact O-N 3.17Å; R223-L226 PolarHBondContact O-N 2.82Å; R223-L227 PolarHBondContact O-N 3.1Å
224Q95.9Very high94.6Very high43 Ų4336.8 Ų36.820%0.20120%0.201CC..Hα-helixtrans-54.7-35.2176.3-172.563.752.700112.9L226 L227 N228 P237 V239 Y268Q224-L226 VanDerWaalsContact C-N 3.28Å; Q224-L226 PolarHBondContact O-N 3.06Å; Q224-L227 WeakPolarHBondContact O-CB 3.37Å; Q224-L227 PolarHBondContact O-N 3.34Å; Q224-L227 VanDerWaalsContact O-N 3.13Å; Q224-N228 PolarHBondContact NE2-OD1 2.81Å; Q224-N228 PolarHBondContact O-N 3.12Å; Q224-P237 WeakPolarHBondContact CG-O 3.29Å; Q224-V239 HydrophobicContact CG-CG1 3.62Å; Q224-Y268 PolarHBondContact OE1-OH 3.16Å
225A97.5Very high94.8Very high1 Ų133.9 Ų33.91%0.00819%0.187CC..Hα-helixtrans-53.4-42.6174.600000112.9L205 T209 L212 R223 N228 L229 A235 S236 P237L205-A225 HydrophobicContact CD2-CB 3.63Å; T209-A225 HydrophobicContact CG2-CB 4.32Å; L212-A225 HydrophobicContact CD2-CB 4.11Å; R223-A225 PolarHBondContact O-N 3.4Å; R223-A225 VanDerWaalsContact O-N 3.17Å; A225-N228 PolarHBondContact O-N 3.31Å; A225-L229 WeakPolarHBondContact O-CB 3.12Å; A225-L229 PolarHBondContact O-N 2.77Å; A225-A235 HydrophobicContact CB-CB 4.41Å; A225-A235 VanDerWaalsContact CB-O 3.27Å; A225-A235 WeakPolarHBondContact CB-O 3.45Å; A225-A235 VanDerWaalsContact O-CA 3.3Å; A225-A235 WeakPolarHBondContact O-CA 3.44Å; A225-S236 WeakPolarHBondContact CA-O 3.39Å; A225-P237 HydrophobicContact CB-CG 4.36Å
226L98.3Very high94.9Very high0 Ų029.7 Ų29.70%017%0.166CC..Hα-helixtrans-70.8-38.3178.4-179.952.3000112.1I72 L189 L192 L212 L213 C222 R223 Q224 N228 L229 L230I72-L226 HydrophobicContact CD1-CD2 4.21Å; L189-L226 HydrophobicContact CD1-CD1 3.59Å; L189-L226 HydrophobicContact CD1-CD2 3.96Å; L189-L226 HydrophobicContact CD1-CG 4.44Å; L192-L226 HydrophobicContact CD2-CD1 4.05Å; L212-L226 HydrophobicContact CB-CB 4.27Å; L212-L226 HydrophobicContact CB-CD2 4.48Å; L212-L226 HydrophobicContact CD1-CD1 4.45Å; L212-L226 HydrophobicContact CD2-CB 4.25Å; L213-L226 HydrophobicContact CD2-CD2 3.66Å; C222-L226 HydrophobicContact CB-CD2 4.13Å; R223-L226 PolarHBondContact O-N 2.82Å; Q224-L226 VanDerWaalsContact C-N 3.28Å; Q224-L226 PolarHBondContact O-N 3.06Å; L226-N228 VanDerWaalsContact C-N 3.34Å; L226-L229 HydrophobicContact CD1-CD2 4.27Å; L226-L229 WeakPolarHBondContact O-CB 3.17Å; L226-L229 PolarHBondContact O-N 2.74Å; L226-L230 HydrophobicContact CD1-CD1 4.48Å; L226-L230 HydrophobicContact CG-CD1 4.43Å; L226-L230 WeakPolarHBondContact O-CG 3.31Å; L226-L230 PolarHBondContact O-N 2.62Å; L226-L230 VanDerWaalsContact O-N 3.07Å
227L97.8Very high95.2Very high1 Ų128.2 Ų28.21%0.00516%0.155CC..Hα-helixtrans-61.2-45.8173.6-63.5174.2000111A71 V75 R223 Q224 L229 L230 L231 Y268 Y304A71-L227 HydrophobicContact CB-CD2 4.1Å; V75-L227 HydrophobicContact CG2-CD2 3.98Å; R223-L227 PolarHBondContact O-N 3.1Å; Q224-L227 WeakPolarHBondContact O-CB 3.37Å; Q224-L227 PolarHBondContact O-N 3.34Å; Q224-L227 VanDerWaalsContact O-N 3.13Å; L227-L229 VanDerWaalsContact C-N 3.31Å; L227-L229 PolarHBondContact O-N 3.28Å; L227-L230 PolarHBondContact O-N 3.35Å; L227-L231 WeakPolarHBondContact O-CB 3.4Å; L227-L231 VanDerWaalsContact O-CG 3.24Å; L227-L231 WeakPolarHBondContact O-CG 3.31Å; L227-L231 PolarHBondContact O-N 3.09Å; L227-Y268 HydrophobicContact CD1-CE2 4Å; L227-Y304 HydrophobicContact CD1-CE1 3.56Å; L227-Y304 HydrophobicContact CD2-CD1 4.41Å; L227-Y304 HydrophobicContact CD2-CE1 3.87Å; L227-Y304 HydrophobicContact CG-CE1 4.34Å
228N97.9Very high95.6Very high0 Ų021.5 Ų21.50%012%0.119CC..Hα-helixtrans-66.1-34.4178.8-76.2-5.7000111.9Q224 A225 L226 L231 T232 R234 S236 H238Q224-N228 PolarHBondContact NE2-OD1 2.81Å; Q224-N228 PolarHBondContact O-N 3.12Å; A225-N228 PolarHBondContact O-N 3.31Å; L226-N228 VanDerWaalsContact C-N 3.34Å; N228-L231 PolarHBondContact O-N 2.78Å; N228-T232 WeakPolarHBondContact O-CA 3.39Å; N228-T232 WeakPolarHBondContact O-CB 3.22Å; N228-T232 PolarHBondContact O-N 3.5Å; N228-T232 PolarHBondContact O-OG1 3.04Å; N228-R234 CarbonylContact C-O 3.19Å; N228-S236 WeakPolarHBondContact CB-O 3.37Å; N228-S236 PolarHBondContact ND2-O 2.99Å; N228-H238 PolarHBondContact ND2-O 2.77Å
229L98.4Very high96.2Very high0 Ų019.2 Ų19.20%09%0.094CC..Hα-helixtrans-60.1-46.4171.5-179.560.7000111.2A123 L192 R196 L201 A225 L226 L227 G233 R234 A235A123-L229 HydrophobicContact CB-CD1 4.19Å; L192-L229 HydrophobicContact CD2-CD2 3.67Å; L192-L229 HydrophobicContact CD2-CG 3.88Å; L192-L229 HydrophobicContact CG-CD2 3.87Å; L192-L229 HydrophobicContact CG-CG 4.06Å; R196-L229 HydrophobicContact CB-CD1 4.03Å; R196-L229 HydrophobicContact CG-CD1 3.89Å; L201-L229 HydrophobicContact CD2-CD1 4.27Å; L201-L229 HydrophobicContact CD2-CD2 3.84Å; A225-L229 WeakPolarHBondContact O-CB 3.12Å; A225-L229 PolarHBondContact O-N 2.77Å; L226-L229 HydrophobicContact CD1-CD2 4.27Å; L226-L229 WeakPolarHBondContact O-CB 3.17Å; L226-L229 PolarHBondContact O-N 2.74Å; L227-L229 VanDerWaalsContact C-N 3.31Å; L227-L229 PolarHBondContact O-N 3.28Å; L229-G233 WeakPolarHBondContact O-CA 3.29Å; L229-G233 PolarHBondContact O-N 3.46Å; L229-R234 WeakPolarHBondContact CA-O 3.21Å; L229-R234 PolarHBondContact N-O 3.09Å; L229-R234 VanDerWaalsContact N-O 3.11Å; L229-A235 HydrophobicContact CB-CB 4.06Å; L229-A235 HydrophobicContact CD1-CB 4.49Å
230L98.4Very high96.5Very high1 Ų118.9 Ų18.91%0.0059%0.089CC..Hα-helixtrans-68-33.1178.3-69.8163000113.1I72 V75 R79 F188 L192 L226 L227I72-L230 HydrophobicContact CB-CD1 4.33Å; I72-L230 HydrophobicContact CG1-CD1 4.09Å; I72-L230 HydrophobicContact CG2-CD1 4.17Å; I72-L230 HydrophobicContact CG2-CD2 4.43Å; V75-L230 HydrophobicContact CB-CB 4.25Å; V75-L230 HydrophobicContact CB-CD1 4.24Å; V75-L230 HydrophobicContact CG1-CB 3.62Å; V75-L230 HydrophobicContact CG2-CB 4.43Å; V75-L230 HydrophobicContact CG2-CD1 4.19Å; R79-L230 VanDerWaalsContact CZ-O 3.29Å; R79-L230 PolarHBondContact NE-O 3.13Å; R79-L230 VanDerWaalsContact NE-O 3.12Å; R79-L230 PolarHBondContact NH2-O 2.95Å; F188-L230 HydrophobicContact CE1-CD2 3.52Å; F188-L230 HydrophobicContact CZ-CD2 3.87Å; L192-L230 HydrophobicContact CD1-CD2 4.27Å; L192-L230 HydrophobicContact CD2-CD2 3.43Å; L192-L230 VanDerWaalsContact CD2-CD2 3.43Å; L192-L230 HydrophobicContact CD2-CG 3.82Å; L192-L230 HydrophobicContact CG-CD2 4.48Å; L226-L230 HydrophobicContact CD1-CD1 4.48Å; L226-L230 HydrophobicContact CG-CD1 4.43Å; L226-L230 WeakPolarHBondContact O-CG 3.31Å; L226-L230 PolarHBondContact O-N 2.62Å; L226-L230 VanDerWaalsContact O-N 3.07Å; L227-L230 PolarHBondContact O-N 3.35Å
231L97.9Very high96.7Very high1 Ų121.4 Ų21.41%0.00510%0.103CC..Hα-helixtrans-84.5-40.6-177.7-69.6167.7000112.2V75 R79 L122 L227 N228 S264 V266 Y268 L288 V297V75-L231 HydrophobicContact CG1-CD2 3.9Å; V75-L231 HydrophobicContact CG1-CG 4.25Å; R79-L231 PolarHBondContact NH2-O 3.38Å; L122-L231 WeakPolarHBondContact CD2-O 3.11Å; L227-L231 WeakPolarHBondContact O-CB 3.4Å; L227-L231 VanDerWaalsContact O-CG 3.24Å; L227-L231 WeakPolarHBondContact O-CG 3.31Å; L227-L231 PolarHBondContact O-N 3.09Å; N228-L231 PolarHBondContact O-N 2.78Å; L231-S264 PolarHBondContact O-OG 2.95Å; L231-S264 VanDerWaalsContact O-OG 3.09Å; L231-V266 HydrophobicContact CD2-CB 4.25Å; L231-V266 HydrophobicContact CD2-CG1 4.05Å; L231-Y268 HydrophobicContact CD1-CD2 4.28Å; L231-Y268 HydrophobicContact CD1-CG 4.29Å; L231-L288 HydrophobicContact CD1-CD2 4.36Å; L231-V297 HydrophobicContact CD2-CG2 4.15Å
232T97.4Very high96.6Very high24 Ų2420.8 Ų20.815%0.14711%0.105CC..Hα-helixtrans-122.1-9.2-165.175.60000114.2N228 R234 V260 L288N228-T232 WeakPolarHBondContact O-CA 3.39Å; N228-T232 WeakPolarHBondContact O-CB 3.22Å; N228-T232 PolarHBondContact O-N 3.5Å; N228-T232 PolarHBondContact O-OG1 3.04Å; T232-R234 VanDerWaalsContact C-N 3.25Å; T232-R234 PolarHBondContact O-N 2.9Å; T232-R234 PolarHBondContact OG1-N 3.24Å; T232-R234 PolarHBondContact OG1-O 3.02Å; T232-V260 HydrophobicContact CG2-CG1 3.95Å; T232-L288 HydrophobicContact CG2-CD2 4.19Å
233G97.3Very high96.4Very high2 Ų223.5 Ų23.52%0.02112%0.122CC..SBendtrans79.21.8-174.100000114.6R196 L229R196-G233 WeakPolarHBondContact CD-O 3.09Å; R196-G233 PolarHBondContact NE-O 2.69Å; L229-G233 WeakPolarHBondContact O-CA 3.29Å; L229-G233 PolarHBondContact O-N 3.46Å
234R96.6Very high96.1Very high82 Ų8223.3 Ų23.331%0.30913%0.125SC..SBendtrans-129.8137.5175.3-70.4-152.9-89.5-94.56.8112.3D204 N228 L229 T232 S236D204-R234 WeakPolarHBondContact OD2-CA 3.36Å; N228-R234 CarbonylContact C-O 3.19Å; L229-R234 WeakPolarHBondContact CA-O 3.21Å; L229-R234 PolarHBondContact N-O 3.09Å; L229-R234 VanDerWaalsContact N-O 3.11Å; T232-R234 VanDerWaalsContact C-N 3.25Å; T232-R234 PolarHBondContact O-N 2.9Å; T232-R234 PolarHBondContact OG1-N 3.24Å; T232-R234 PolarHBondContact OG1-O 3.02Å; R234-S236 PolarHBondContact O-N 3.33Å
235A96.9Very high95.9Very high0 Ų026.7 Ų26.70%014%0.141CC..  trans-84.739.4-174.800000114.2L201 D204 L205 L212 A225 L229 P237L201-A235 HydrophobicContact CD2-CB 3.46Å; L201-A235 VanDerWaalsContact CD2-CB 3.46Å; D204-A235 HydrophobicContact CB-CB 3.87Å; D204-A235 PolarHBondContact OD2-N 3.45Å; L205-A235 HydrophobicContact CD2-CB 4.36Å; L212-A235 HydrophobicContact CD2-CB 4.16Å; A225-A235 HydrophobicContact CB-CB 4.41Å; A225-A235 VanDerWaalsContact CB-O 3.27Å; A225-A235 WeakPolarHBondContact CB-O 3.45Å; A225-A235 VanDerWaalsContact O-CA 3.3Å; A225-A235 WeakPolarHBondContact O-CA 3.44Å; L229-A235 HydrophobicContact CB-CB 4.06Å; L229-A235 HydrophobicContact CD1-CB 4.49Å; A235-P237 WeakPolarHBondContact O-CD 3.38Å
236S94.8Very high95.5Very high8 Ų832.1 Ų32.16%0.05617%0.165CC..  trans-60.3130.9175.9162.30000110.2A225 N228 R234 H238 L258A225-S236 WeakPolarHBondContact CA-O 3.39Å; N228-S236 WeakPolarHBondContact CB-O 3.37Å; N228-S236 PolarHBondContact ND2-O 2.99Å; R234-S236 PolarHBondContact O-N 3.33Å; S236-H238 PolarHBondContact O-N 2.79Å; S236-H238 PolarHBondContact OG-N 2.92Å; S236-H238 VanDerWaalsContact OG-N 3.16Å; S236-H238 PolarHBondContact OG-O 2.83Å; S236-L258 PolarHBondContact OG-O 2.9Å
237P94.7Very high94.9Very high18 Ų1833 Ų3312%0.11718%0.175CC..SBendtrans-70.7-10.6175.9-22.335.6000114.6L205 T209 Q224 A225 A235L205-P237 HydrophobicContact CD2-CG 4.5Å; T209-P237 HydrophobicContact CG2-CB 4.13Å; T209-P237 HydrophobicContact CG2-CG 3.94Å; Q224-P237 WeakPolarHBondContact CG-O 3.29Å; A225-P237 HydrophobicContact CB-CG 4.36Å; A235-P237 WeakPolarHBondContact O-CD 3.38Å
238H95.3Very high94.2Very high32 Ų3243.2 Ų43.215%0.14822%0.222CC..  trans-112.5151-168-42.5107.4000112.5N228 S236 F240 L258N228-H238 PolarHBondContact ND2-O 2.77Å; S236-H238 PolarHBondContact O-N 2.79Å; S236-H238 PolarHBondContact OG-N 2.92Å; S236-H238 VanDerWaalsContact OG-N 3.16Å; S236-H238 PolarHBondContact OG-O 2.83Å; H238-F240 HydrophobicContact CB-CD1 3.72Å; H238-F240 HydrophobicContact CB-CE1 3.32Å; H238-F240 HydrophobicContact CB-CE2 4.5Å; H238-F240 HydrophobicContact CB-CG 4.46Å; H238-F240 HydrophobicContact CB-CZ 3.75Å; H238-F240 AromaticContact CG-CE1 3.59Å; H238-F240 AromaticContact CG-CZ 3.89Å; H238-L258 PolarHBondContact ND1-O 3.33Å
239V95.9Very high93.6Very high11 Ų1148.7 Ų48.77%0.06725%0.252CS..  trans-106.8-3.7-175.5-66.40000113.9Q224 Y268 P282 V284 G285 L288Q224-V239 HydrophobicContact CG-CG1 3.62Å; V239-Y268 HydrophobicContact CG1-CD1 4.23Å; V239-Y268 HydrophobicContact CG1-CE1 4.04Å; V239-P282 HydrophobicContact CG2-CB 3.8Å; V239-V284 HydrophobicContact CB-CB 4.46Å; V239-V284 HydrophobicContact CB-CG1 4.34Å; V239-V284 HydrophobicContact CB-CG2 4.21Å; V239-V284 HydrophobicContact CG2-CB 4.43Å; V239-V284 HydrophobicContact CG2-CG2 3.99Å; V239-G285 PolarHBondContact O-N 3.22Å; V239-L288 HydrophobicContact CB-CD1 4.06Å; V239-L288 HydrophobicContact CG1-CD1 4.13Å
240F95.4Very high93Very high49 Ų4951 Ų5122%0.21528%0.276CS..SBendtrans-75.4168.817560.9-108000111.5H238 L244 L257 G259 V260H238-F240 HydrophobicContact CB-CD1 3.72Å; H238-F240 HydrophobicContact CB-CE1 3.32Å; H238-F240 HydrophobicContact CB-CE2 4.5Å; H238-F240 HydrophobicContact CB-CG 4.46Å; H238-F240 HydrophobicContact CB-CZ 3.75Å; H238-F240 AromaticContact CG-CE1 3.59Å; H238-F240 AromaticContact CG-CZ 3.89Å; F240-L244 HydrophobicContact CD2-CB 4.49Å; F240-L244 HydrophobicContact CE2-CB 3.73Å; F240-L244 HydrophobicContact CZ-CB 3.81Å; F240-L257 HydrophobicContact CE1-CB 4.42Å; F240-L257 HydrophobicContact CZ-CB 3.74Å; F240-G259 CarbonylContact O-C 3.47Å; F240-G259 WeakPolarHBondContact O-CA 3.36Å; F240-V260 PolarHBondContact O-N 2.76Å
241N96Very high92.6Very high64 Ų6456.6 Ų56.634%0.34230%0.301SS..BIsolated β-bridgetrans-83.6143.7-179.2-68-19.2000112.8G285 S286 M287N241-G285 VanDerWaalsContact OD1-C 3.24Å; N241-G285 VanDerWaalsContact OD1-CA 3.28Å; N241-G285 WeakPolarHBondContact OD1-CA 3.41Å; N241-S286 PolarHBondContact ND2-N 2.87Å; N241-S286 PolarHBondContact ND2-OG 3.04Å; N241-S286 PolarHBondContact OD1-N 3.08Å; N241-S286 VanDerWaalsContact OD1-N 3.08Å; N241-M287 HydrophobicContact CB-CG 4.42Å; N241-M287 WeakPolarHBondContact OD1-CB 3.35Å; N241-M287 VanDerWaalsContact OD1-CG 3.29Å; N241-M287 WeakPolarHBondContact OD1-CG 3.47Å; N241-M287 PolarHBondContact OD1-N 3.13Å
242G94.1Very high92.2Very high27 Ų2760.7 Ų60.728%0.27833%0.328SS..SBendtrans68-149167.800000113.1G259 V260G242-G259 CarbonylContact O-C 3.59Å; G242-G259 WeakPolarHBondContact O-CA 3.41Å; G242-G259 PolarHBondContact O-N 2.68Å; G242-V260 PolarHBondContact N-O 2.92Å
243T92.6Very high91.7Very high61 Ų6162.3 Ų62.337%0.37434%0.336SS..EExtended strand (participates in β ladder)trans-116.9128.8-179.7-59.80000109.3Q245 P256 L257 L258T243-Q245 HydrophobicContact CG2-CG 4.46Å; T243-P256 HydrophobicContact CG2-CB 3.44Å; T243-P256 VanDerWaalsContact CG2-CB 3.44Å; T243-L257 WeakPolarHBondContact CA-O 3.21Å; T243-L258 HydrophobicContact CG2-CD2 3.95Å; T243-L258 WeakPolarHBondContact OG1-CD2 3.3Å
244L90.1Very high91.2Very high64 Ų6471.2 Ų71.234%0.33538%0.377SS..EExtended strand (participates in β ladder)trans-98.2117.2178.4-176.2150.9000109F240 F246 L253 P256 L257F240-L244 HydrophobicContact CD2-CB 4.49Å; F240-L244 HydrophobicContact CE2-CB 3.73Å; F240-L244 HydrophobicContact CZ-CB 3.81Å; L244-F246 WeakPolarHBondContact CD2-O 3.5Å; L244-F246 WeakPolarHBondContact CG-O 3.34Å; L244-L253 HydrophobicContact CD2-CD1 3.34Å; L244-L253 HydrophobicContact CD2-CG 4.33Å; L244-P256 CarbonylContact O-C 3.55Å; L244-P256 WeakPolarHBondContact O-CA 3.41Å; L244-L257 HydrophobicContact CB-CB 4.41Å; L244-L257 HydrophobicContact CD2-CD1 4.29Å; L244-L257 PolarHBondContact N-O 2.91Å; L244-L257 PolarHBondContact O-N 3.33Å
245Q91.3Very high90.6Very high115 Ų11575.9 Ų75.954%0.53739%0.394SS..EExtended strand (participates in β ladder)trans-100.4-18.8-176.5-63.8-177.47.400113T243 L253 P256T243-Q245 HydrophobicContact CG2-CG 4.46Å; Q245-L253 PolarHBondContact O-N 2.88Å; Q245-P256 HydrophobicContact CG-CB 4.41Å
246F89.3Confident90.2Very high114 Ų11479.4 Ų79.450%0.542%0.417SS..EExtended strand (participates in β ladder)trans-125136.8-175.1-61.3-88.7000110L244 Q251 P252L244-F246 WeakPolarHBondContact CD2-O 3.5Å; L244-F246 WeakPolarHBondContact CG-O 3.34Å; F246-Q251 CarbonylContact C-O 3.5Å; F246-Q251 VanDerWaalsContact CA-O 3.24Å; F246-Q251 WeakPolarHBondContact CA-O 3.32Å; F246-P252 HydrophobicContact CD1-CB 4.25Å; F246-P252 HydrophobicContact CE1-CB 4.14Å
247G85.1Confident89.9Confident20 Ų2081.8 Ų81.821%0.20643%0.429CS..  trans-68.4175.317400000112.5D249 G250 Q251G247-D249 PolarHBondContact O-N 3.35Å; G247-G250 PolarHBondContact O-N 3.07Å; G247-Q251 PolarHBondContact N-O 2.88Å
248E82.2Confident89.7Confident214 Ų21484.3 Ų84.3100%144%0.441SS*.THydrogen-bonded Turntrans-62.8-24.5175.8-63.9-176.516700112.6G250E248-G250 PolarHBondContact O-N 3.44Å
249D86.4Confident89.7Confident116 Ų11682.9 Ų82.962%0.6244%0.435SS*.THydrogen-bonded Turntrans-77.3-0173.563.9-8.2000113.7G247 Q251G247-D249 PolarHBondContact O-N 3.35Å; D249-Q251 PolarHBondContact O-N 3.18Å; D249-Q251 WeakPolarHBondContact OD1-CB 3.42Å; D249-Q251 PolarHBondContact OD1-N 3.11Å
250G85.9Confident89.7Confident49 Ų4982.6 Ų82.651%0.50543%0.433SS..SBendtrans73.64.8-177.300000114.2G247 E248G247-G250 PolarHBondContact O-N 3.07Å; E248-G250 PolarHBondContact O-N 3.44Å
251Q90.1Very high89.6Confident117 Ų11784 Ų8455%0.54744%0.443SS..PPolyproline II helixtrans-84.8146.8177.5-62.7-56.8-45.300111.1F246 G247 D249 L253F246-Q251 CarbonylContact C-O 3.5Å; F246-Q251 VanDerWaalsContact CA-O 3.24Å; F246-Q251 WeakPolarHBondContact CA-O 3.32Å; G247-Q251 PolarHBondContact N-O 2.88Å; D249-Q251 PolarHBondContact O-N 3.18Å; D249-Q251 WeakPolarHBondContact OD1-CB 3.42Å; D249-Q251 PolarHBondContact OD1-N 3.11Å; Q251-L253 PolarHBondContact O-N 3.3Å
252P88.9Confident89.5Confident88 Ų8883.9 Ų83.957%0.57145%0.447SS*.EExtended strand (participates in β ladder)trans-63.5132.7175.826.8-33.2000110F246F246-P252 HydrophobicContact CD1-CB 4.25Å; F246-P252 HydrophobicContact CE1-CB 4.14Å
253L87.6Confident89.6Confident57 Ų5787.1 Ų87.130%0.29845%0.451SS..EExtended strand (participates in β ladder)trans-71.3143.9174.1-64.5-178.5000110.2L244 Q245 Q251 R255 L257L244-L253 HydrophobicContact CD2-CD1 3.34Å; L244-L253 HydrophobicContact CD2-CG 4.33Å; Q245-L253 PolarHBondContact O-N 2.88Å; Q251-L253 PolarHBondContact O-N 3.3Å; L253-R255 WeakPolarHBondContact CB-O 3.24Å; L253-R255 PolarHBondContact O-N 3.05Å; L253-L257 HydrophobicContact CD1-CB 4.47Å; L253-L257 HydrophobicContact CD1-CD1 3.84Å; L253-L257 HydrophobicContact CD1-CG 3.67Å
254E85.2Confident89.8Confident189 Ų18984.5 Ų84.588%0.88344%0.435SS*.EExtended strand (participates in β ladder)trans-55.7-36.3174.8-169.4-170.7165.100111.6
255R84.9Confident90.1Very high181 Ų18183.3 Ų83.368%0.68343%0.429SS*.EExtended strand (participates in β ladder)trans-135.7135.5170.3-63.6-174.3-175.2-170.70.4110L253 L257L253-R255 WeakPolarHBondContact CB-O 3.24Å; L253-R255 PolarHBondContact O-N 3.05Å; R255-L257 PolarHBondContact O-N 2.93Å
256P88Confident90.4Very high74 Ų7477.8 Ų77.848%0.48140%0.403SS..EExtended strand (participates in β ladder)trans-59.1135.6175.3-21.531.7000111.5T243 L244 Q245T243-P256 HydrophobicContact CG2-CB 3.44Å; T243-P256 VanDerWaalsContact CG2-CB 3.44Å; L244-P256 CarbonylContact O-C 3.55Å; L244-P256 WeakPolarHBondContact O-CA 3.41Å; Q245-P256 HydrophobicContact CG-CB 4.41Å
257L89.9Confident90.8Very high57 Ų5772.4 Ų72.430%0.29838%0.379SS..EExtended strand (participates in β ladder)trans-85.3120.5173.5-61.2177.8000109.3F240 T243 L244 L253 R255F240-L257 HydrophobicContact CE1-CB 4.42Å; F240-L257 HydrophobicContact CZ-CB 3.74Å; T243-L257 WeakPolarHBondContact CA-O 3.21Å; L244-L257 HydrophobicContact CB-CB 4.41Å; L244-L257 HydrophobicContact CD2-CD1 4.29Å; L244-L257 PolarHBondContact N-O 2.91Å; L244-L257 PolarHBondContact O-N 3.33Å; L253-L257 HydrophobicContact CD1-CB 4.47Å; L253-L257 HydrophobicContact CD1-CD1 3.84Å; L253-L257 HydrophobicContact CD1-CG 3.67Å; R255-L257 PolarHBondContact O-N 2.93Å
258L90.5Very high91.4Very high71 Ų7171.6 Ų71.637%0.37237%0.37SS..EExtended strand (participates in β ladder)trans-84119.1178.5-60.7175.6000109.7S236 H238 T243S236-L258 PolarHBondContact OG-O 2.9Å; H238-L258 PolarHBondContact ND1-O 3.33Å; T243-L258 HydrophobicContact CG2-CD2 3.95Å; T243-L258 WeakPolarHBondContact OG1-CD2 3.3Å
259G93.8Very high92.2Very high3 Ų361.4 Ų61.43%0.03132%0.323CS..  trans-97.2-152.2168.900000112.2F240 G242F240-G259 CarbonylContact O-C 3.47Å; F240-G259 WeakPolarHBondContact O-CA 3.36Å; G242-G259 CarbonylContact O-C 3.59Å; G242-G259 WeakPolarHBondContact O-CA 3.41Å; G242-G259 PolarHBondContact O-N 2.68Å
260V96.6Very high92.7Very high4 Ų456.7 Ų56.72%0.02430%0.297CS..BIsolated β-bridgetrans-84.9118.3179.4-176.60000110.1T232 F240 G242 S262 M287 L288T232-V260 HydrophobicContact CG2-CG1 3.95Å; F240-V260 PolarHBondContact O-N 2.76Å; G242-V260 PolarHBondContact N-O 2.92Å; V260-S262 WeakPolarHBondContact CG1-O 3.45Å; V260-M287 HydrophobicContact CB-CB 4.08Å; V260-M287 HydrophobicContact CG1-CB 3.59Å; V260-M287 HydrophobicContact CG1-CG 4.49Å; V260-L288 HydrophobicContact CB-CG 4.48Å; V260-L288 HydrophobicContact CG1-CD2 4.44Å; V260-L288 HydrophobicContact CG1-CG 4.32Å; V260-L288 HydrophobicContact CG2-CD1 3.73Å; V260-L288 HydrophobicContact CG2-CD2 4.41Å; V260-L288 HydrophobicContact CG2-CG 3.92Å
261L93.9Very high93.1Very high79 Ų7955.4 Ų55.441%0.41428%0.277SS..  trans-89.2-17.1-168.9-62179.9000114.3
262S94Very high93.2Very high61 Ų6150 Ų5043%0.42725%0.252SS..SBendtrans-151.5151.6-175.659.50000111.5V260 S264V260-S262 WeakPolarHBondContact CG1-O 3.45Å; S262-S264 PolarHBondContact O-N 3.28Å
263R95.5Very high93.3Very high95 Ų9548.7 Ų48.736%0.35824%0.236SC..  trans-62.1121.1-179.3-171.2-177.8-179.4169.35.5110.5M287 T290 P291 R292R263-M287 HydrophobicContact CB-SD 3.95Å; R263-M287 PolarHBondContact N-SD 3.47Å; R263-T290 WeakPolarHBondContact CG-O 3.48Å; R263-T290 VanDerWaalsContact CZ-O 3.27Å; R263-T290 PolarHBondContact NE-O 2.76Å; R263-T290 PolarHBondContact NH2-O 3.33Å; R263-P291 PolarHBondContact NE-O 2.89Å; R263-P291 PolarHBondContact NH2-O 2.86Å; R263-R292 HydrophobicContact CG-CG 4.11Å; R263-R292 PolarHBondContact O-NE 3.05Å
264S96Very high93.4Very high6 Ų650.7 Ų50.74%0.04224%0.244CC..  trans-74.3153.6179.8-175.90000112.4L231 S262 V266 M287 P291 R292L231-S264 PolarHBondContact O-OG 2.95Å; L231-S264 VanDerWaalsContact O-OG 3.09Å; S262-S264 PolarHBondContact O-N 3.28Å; S264-V266 WeakPolarHBondContact CB-O 3.38Å; S264-V266 PolarHBondContact OG-N 3.1Å; S264-V266 PolarHBondContact OG-O 3.06Å; S264-M287 PolarHBondContact N-O 3.38Å; S264-P291 CarbonylContact O-C 3.6Å; S264-P291 VanDerWaalsContact O-CA 3.29Å; S264-P291 WeakPolarHBondContact O-CA 3.48Å; S264-R292 PolarHBondContact O-N 3.04Å
265D96.4Very high93.6Very high39 Ų3945.1 Ų45.121%0.20922%0.218CC..SBendtrans-66.3-41.3170.4-91.212.7000111.8K82 R292 F293K82-D265 HydrophobicContact CD-CB 4Å; K82-D265 IonicContact NZ-OD2 2.76Å; K82-D265 PolarHBondContact NZ-OD2 2.86Å; D265-R292 WeakPolarHBondContact OD1-CD 3.48Å; D265-R292 IonicContact OD1-CZ 2.76Å; D265-R292 IonicContact OD1-NE 3.24Å; D265-R292 IonicContact OD1-NH1 3.78Å; D265-R292 PolarHBondContact OD1-NH1 3.36Å; D265-R292 VanDerWaalsContact OD1-NH1 3.12Å; D265-F293 HydrophobicContact CB-CD2 4.24Å; D265-F293 PolarHBondContact O-N 3.26Å; D265-F293 VanDerWaalsContact O-N 3.13Å
266V97.8Very high93.8Very high0 Ų041.2 Ų41.20%021%0.208CC..SBendtrans-117.8135.1178.2173.70000108.5A78 R79 K82 L231 S264 V295 V297A78-V266 HydrophobicContact CB-CG1 3.56Å; R79-V266 HydrophobicContact CG-CG2 4.18Å; K82-V266 HydrophobicContact CB-CG2 4.22Å; K82-V266 HydrophobicContact CD-CG2 4.14Å; L231-V266 HydrophobicContact CD2-CB 4.25Å; L231-V266 HydrophobicContact CD2-CG1 4.05Å; S264-V266 WeakPolarHBondContact CB-O 3.38Å; S264-V266 PolarHBondContact OG-N 3.1Å; S264-V266 PolarHBondContact OG-O 3.06Å; V266-V295 HydrophobicContact CG1-CG1 4.35Å; V266-V297 HydrophobicContact CG1-CG2 4.15Å
267G97.9Very high93.8Very high0 Ų044.9 Ų44.90%022%0.219CC..EExtended strand (participates in β ladder)trans-85.8175.2-174.200000113.8L288 P291 V295 W296 V297G267-L288 CarbonylContact C-O 3.57Å; G267-L288 WeakPolarHBondContact CA-O 3.13Å; G267-P291 VanDerWaalsContact N-CB 3.25Å; G267-V295 PolarHBondContact N-O 3.13Å; G267-W296 WeakPolarHBondContact O-CA 3.37Å; G267-V297 PolarHBondContact O-N 3.48Å
268Y98.5Very high93.8Very high3 Ų351 Ų511%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-136.8134.1173.7179.7-109.1000109.8Q224 L227 L231 V239 H270 V284 L288 V297 C299Q224-Y268 PolarHBondContact OE1-OH 3.16Å; L227-Y268 HydrophobicContact CD1-CE2 4Å; L231-Y268 HydrophobicContact CD1-CD2 4.28Å; L231-Y268 HydrophobicContact CD1-CG 4.29Å; V239-Y268 HydrophobicContact CG1-CD1 4.23Å; V239-Y268 HydrophobicContact CG1-CE1 4.04Å; Y268-H270 HydrophobicContact CE1-CB 3.75Å; Y268-H270 PolarHBondContact OH-ND1 2.8Å; Y268-V284 HydrophobicContact CD1-CG1 4.23Å; Y268-V284 HydrophobicContact CD1-CG2 4.17Å; Y268-V284 HydrophobicContact CE1-CG2 4.31Å; Y268-L288 HydrophobicContact CD1-CD1 4.25Å; Y268-L288 PolarHBondContact N-O 2.87Å; Y268-V297 CarbonylContact C-O 3.54Å; Y268-V297 VanDerWaalsContact CA-O 3.29Å; Y268-V297 WeakPolarHBondContact CA-O 3.19Å; Y268-V297 HydrophobicContact CD2-CB 4.33Å; Y268-V297 HydrophobicContact CD2-CG1 4.42Å; Y268-V297 WeakPolarHBondContact CD2-O 3.49Å; Y268-C299 HydrophobicContact CE2-CB 3.73Å; Y268-C299 WeakPolarHBondContact OH-CB 3.31Å
269L98Very high93.6Very high0 Ų051.1 Ų51.10%026%0.257CS..EExtended strand (participates in β ladder)trans-125143.3171.9-59.6177.8000108.5K289 W296 V297 C298 C299 L307 T369 K373L269-K289 HydrophobicContact CD2-CG 4.16Å; L269-W296 HydrophobicContact CD1-CB 4.25Å; L269-W296 HydrophobicContact CD1-CG 4.13Å; L269-W296 HydrophobicContact CG-CB 4.19Å; L269-W296 HydrophobicContact CG-CG 4.1Å; L269-V297 PolarHBondContact N-O 2.66Å; L269-C298 WeakPolarHBondContact O-CA 3.35Å; L269-C299 PolarHBondContact O-N 3.22Å; L269-L307 HydrophobicContact CD1-CD2 4.28Å; L269-T369 HydrophobicContact CB-CG2 3.61Å; L269-T369 HydrophobicContact CD1-CG2 4.38Å; L269-K373 HydrophobicContact CD2-CB 3.89Å; L269-K373 HydrophobicContact CD2-CD 4.36Å
270H96.7Very high93.3Very high17 Ų1753.2 Ų53.28%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-135.5129.6-175.5-179.369.4000110.9Y268 Q275 V284 C299Y268-H270 HydrophobicContact CE1-CB 3.75Å; Y268-H270 PolarHBondContact OH-ND1 2.8Å; H270-Q275 PolarHBondContact NE2-OE1 3.39Å; H270-V284 HydrophobicContact CB-CG2 3.84Å; H270-C299 WeakPolarHBondContact CA-O 3.24Å
271W95Very high93Very high22 Ų2254.4 Ų54.48%0.08328%0.284CS..EExtended strand (participates in β ladder)trans-140.5133.5172-178.1-103.7000110M276 L281 C299 I300 N301 M368 T369 T372W271-M276 HydrophobicContact CH2-CB 4.18Å; W271-M276 HydrophobicContact CH2-CE 4.24Å; W271-M276 HydrophobicContact CH2-CG 3.73Å; W271-M276 HydrophobicContact CH2-SD 4.09Å; W271-M276 HydrophobicContact CZ2-CB 4.43Å; W271-M276 HydrophobicContact CZ2-CG 4.3Å; W271-M276 HydrophobicContact CZ3-CG 4.3Å; W271-M276 HydrophobicContact CZ3-SD 4.17Å; W271-L281 HydrophobicContact CE3-CD2 3.64Å; W271-L281 HydrophobicContact CZ3-CD2 3.63Å; W271-C299 PolarHBondContact N-O 3.5Å; W271-I300 CarbonylContact O-C 3.39Å; W271-I300 WeakPolarHBondContact O-CA 3.29Å; W271-N301 PolarHBondContact O-N 3.49Å; W271-M368 HydrophobicContact CD2-CB 3.58Å; W271-M368 HydrophobicContact CE3-CB 4.1Å; W271-M368 HydrophobicContact CG-CB 3.99Å; W271-M368 HydrophobicContact CH2-CB 4.16Å; W271-M368 HydrophobicContact CH2-CE 3.5Å; W271-M368 VanDerWaalsContact CH2-CE 3.5Å; W271-M368 HydrophobicContact CZ2-CB 3.66Å; W271-M368 HydrophobicContact CZ2-CE 3.73Å; W271-M368 HydrophobicContact CZ2-CG 3.9Å; W271-M368 HydrophobicContact CZ3-CB 4.37Å; W271-M368 HydrophobicContact CZ3-CE 4.18Å; W271-T369 HydrophobicContact CB-CG2 4.43Å; W271-T369 WeakPolarHBondContact CB-OG1 3.48Å; W271-T372 HydrophobicContact CE3-CG2 3.81Å; W271-T372 HydrophobicContact CZ3-CG2 4.44Å
272S93Very high92.8Very high5 Ų553.1 Ų53.14%0.03528%0.281CS..  trans-143.6120.3170.7168.60000108.7E274 Q275 M276 N301S272-E274 VanDerWaalsContact C-N 3.34Å; S272-Q275 PolarHBondContact O-N 3.48Å; S272-Q275 PolarHBondContact OG-N 2.87Å; S272-M276 WeakPolarHBondContact O-CB 3.35Å; S272-M276 PolarHBondContact O-N 3.17Å; S272-N301 WeakPolarHBondContact CA-OD1 3.36Å
273R89.1Confident92.7Very high59 Ų5957.2 Ų57.222%0.22329%0.293CS..Hα-helixtrans-58.7-48.3177.1-178.8178.6-69.8164.40.4110.7Q275 M276 E277 N301 E360R273-Q275 VanDerWaalsContact C-N 3.32Å; R273-Q275 PolarHBondContact O-N 2.91Å; R273-M276 WeakPolarHBondContact O-CB 3.41Å; R273-M276 PolarHBondContact O-N 2.98Å; R273-M276 VanDerWaalsContact O-N 3.16Å; R273-E277 HydrophobicContact CG-CG 4.4Å; R273-E277 WeakPolarHBondContact CG-OE1 3.31Å; R273-E277 WeakPolarHBondContact O-CG 3.45Å; R273-E277 PolarHBondContact O-N 3.08Å; R273-N301 PolarHBondContact N-OD1 2.86Å; R273-E360 VanDerWaalsContact NH1-CG 3.3Å; R273-E360 IonicContact NH1-OE1 3.01Å; R273-E360 PolarHBondContact NH1-OE1 2.87Å
274E90.4Very high92.8Very high100 Ų10053 Ų5347%0.46728%0.278SS..Hα-helixtrans-57.4-43.7178.9-177.3-170.3-179.100112.2S272 R278S272-E274 VanDerWaalsContact C-N 3.34Å; E274-R278 WeakPolarHBondContact O-CG 3.45Å; E274-R278 PolarHBondContact O-N 2.8Å; E274-R278 IonicContact OE1-CZ 3.01Å; E274-R278 IonicContact OE1-NH1 2.69Å; E274-R278 PolarHBondContact OE1-NH1 3.44Å; E274-R278 IonicContact OE1-NH2 2.75Å; E274-R278 PolarHBondContact OE1-NH2 3.13Å
275Q90.1Very high92.8Very high71 Ų7153.3 Ų53.333%0.33228%0.281SS..Hα-helixtrans-72.3-36.3179.2-68.3178.7-28.100111.9H270 S272 R273 R278 G279 G280 L281H270-Q275 PolarHBondContact NE2-OE1 3.39Å; S272-Q275 PolarHBondContact O-N 3.48Å; S272-Q275 PolarHBondContact OG-N 2.87Å; R273-Q275 VanDerWaalsContact C-N 3.32Å; R273-Q275 PolarHBondContact O-N 2.91Å; Q275-R278 CarbonylContact O-C 3.57Å; Q275-R278 PolarHBondContact O-N 3.42Å; Q275-G279 PolarHBondContact O-N 3.3Å; Q275-G280 CarbonylContact O-C 3.6Å; Q275-G280 PolarHBondContact O-N 2.99Å; Q275-L281 HydrophobicContact CB-CD1 4.31Å; Q275-L281 PolarHBondContact O-N 3Å
276M88.3Confident92.8Very high100 Ų10054 Ų5449%0.49329%0.289SS..Hα-helixtrans-62.6-47.7175.9-17666.3173.100111.5W271 S272 R273 R278 G279 L281W271-M276 HydrophobicContact CH2-CB 4.18Å; W271-M276 HydrophobicContact CH2-CE 4.24Å; W271-M276 HydrophobicContact CH2-CG 3.73Å; W271-M276 HydrophobicContact CH2-SD 4.09Å; W271-M276 HydrophobicContact CZ2-CB 4.43Å; W271-M276 HydrophobicContact CZ2-CG 4.3Å; W271-M276 HydrophobicContact CZ3-CG 4.3Å; W271-M276 HydrophobicContact CZ3-SD 4.17Å; S272-M276 WeakPolarHBondContact O-CB 3.35Å; S272-M276 PolarHBondContact O-N 3.17Å; R273-M276 WeakPolarHBondContact O-CB 3.41Å; R273-M276 PolarHBondContact O-N 2.98Å; R273-M276 VanDerWaalsContact O-N 3.16Å; M276-R278 PolarHBondContact O-N 3.42Å; M276-G279 PolarHBondContact O-N 3.39Å; M276-L281 HydrophobicContact SD-CB 4.28Å; M276-L281 HydrophobicContact SD-CD2 3.88Å
277E88.6Confident92.7Very high150 Ų15056.8 Ų56.870%0.70130%0.303SS*.Hα-helixtrans-62.1-30.5178.4-72.3170.7177.500112.6R273 G279R273-E277 HydrophobicContact CG-CG 4.4Å; R273-E277 WeakPolarHBondContact CG-OE1 3.31Å; R273-E277 WeakPolarHBondContact O-CG 3.45Å; R273-E277 PolarHBondContact O-N 3.08Å; E277-G279 VanDerWaalsContact C-N 3.33Å
278R90.8Very high92.7Very high187 Ų18756.8 Ų56.871%0.70630%0.303SS*.THydrogen-bonded Turntrans-86.62.3175-66.7-179.4-175.8156.112.6114E274 Q275 M276 G280E274-R278 WeakPolarHBondContact O-CG 3.45Å; E274-R278 PolarHBondContact O-N 2.8Å; E274-R278 IonicContact OE1-CZ 3.01Å; E274-R278 IonicContact OE1-NH1 2.69Å; E274-R278 PolarHBondContact OE1-NH1 3.44Å; E274-R278 IonicContact OE1-NH2 2.75Å; E274-R278 PolarHBondContact OE1-NH2 3.13Å; Q275-R278 CarbonylContact O-C 3.57Å; Q275-R278 PolarHBondContact O-N 3.42Å; M276-R278 PolarHBondContact O-N 3.42Å; R278-G280 PolarHBondContact O-N 2.59Å
279G85.8Confident92.6Very high73 Ų7358.5 Ų58.575%0.75331%0.311SS*.THydrogen-bonded Turntrans67.514.5-177.100000114.6Q275 M276 E277Q275-G279 PolarHBondContact O-N 3.3Å; M276-G279 PolarHBondContact O-N 3.39Å; E277-G279 VanDerWaalsContact C-N 3.33Å
280G87.9Confident92.6Very high47 Ų4760.8 Ų60.849%0.48532%0.324SS..  trans-108.618.6-174.600000114.3Q275 R278 P282Q275-G280 CarbonylContact O-C 3.6Å; Q275-G280 PolarHBondContact O-N 2.99Å; R278-G280 PolarHBondContact O-N 2.59Å; G280-P282 VanDerWaalsContact O-CD 3.25Å; G280-P282 WeakPolarHBondContact O-CD 3.27Å
281L89.7Confident92.6Very high28 Ų2860 Ų6015%0.14732%0.321CS..  trans-67.7119.6179.1-17470000110.2W271 Q275 M276 Q283W271-L281 HydrophobicContact CE3-CD2 3.64Å; W271-L281 HydrophobicContact CZ3-CD2 3.63Å; Q275-L281 HydrophobicContact CB-CD1 4.31Å; Q275-L281 PolarHBondContact O-N 3Å; M276-L281 HydrophobicContact SD-CB 4.28Å; M276-L281 HydrophobicContact SD-CD2 3.88Å; L281-Q283 PolarHBondContact O-N 3.26Å
282P89.5Confident92.6Very high53 Ų5365.6 Ų65.634%0.34434%0.342SS..  trans-60.6131.3-179.1-2533.8000113.1V239 G280 V284V239-P282 HydrophobicContact CG2-CB 3.8Å; G280-P282 VanDerWaalsContact O-CD 3.25Å; G280-P282 WeakPolarHBondContact O-CD 3.27Å; P282-V284 PolarHBondContact O-N 2.87Å; P282-V284 VanDerWaalsContact O-N 3.14Å
283Q91.8Very high92.8Very high146 Ų14666.6 Ų66.668%0.68235%0.346SS*.  trans-78.197.1172.4-68.1-64.2-21.300110.4L281 G285L281-Q283 PolarHBondContact O-N 3.26Å; Q283-G285 PolarHBondContact O-N 3.4Å
284V96.9Very high93.2Very high8 Ų863.8 Ų63.85%0.04834%0.335CS..  trans-67.6125.1175.6-174.60000109.7V239 Y268 H270 P282 L288 K289V239-V284 HydrophobicContact CB-CB 4.46Å; V239-V284 HydrophobicContact CB-CG1 4.34Å; V239-V284 HydrophobicContact CB-CG2 4.21Å; V239-V284 HydrophobicContact CG2-CB 4.43Å; V239-V284 HydrophobicContact CG2-CG2 3.99Å; Y268-V284 HydrophobicContact CD1-CG1 4.23Å; Y268-V284 HydrophobicContact CD1-CG2 4.17Å; Y268-V284 HydrophobicContact CE1-CG2 4.31Å; H270-V284 HydrophobicContact CB-CG2 3.84Å; P282-V284 PolarHBondContact O-N 2.87Å; P282-V284 VanDerWaalsContact O-N 3.14Å; V284-L288 HydrophobicContact CG1-CB 3.64Å; V284-L288 HydrophobicContact CG1-CD1 4.02Å; V284-L288 HydrophobicContact CG1-CG 4.48Å; V284-K289 HydrophobicContact CB-CD 4.5Å; V284-K289 HydrophobicContact CB-CG 4.1Å; V284-K289 HydrophobicContact CG1-CG 3.9Å; V284-K289 VanDerWaalsContact O-CD 3.26Å; V284-K289 WeakPolarHBondContact O-CD 3.41Å; V284-K289 WeakPolarHBondContact O-CE 3.33Å; V284-K289 PolarHBondContact O-NZ 3.2Å
285G96.9Very high93.5Very high11 Ų1159 Ų5911%0.11331%0.313CS..  trans-75.5163.6-178.900000113.6V239 N241 Q283 M287 L288 K289V239-G285 PolarHBondContact O-N 3.22Å; N241-G285 VanDerWaalsContact OD1-C 3.24Å; N241-G285 VanDerWaalsContact OD1-CA 3.28Å; N241-G285 WeakPolarHBondContact OD1-CA 3.41Å; Q283-G285 PolarHBondContact O-N 3.4Å; G285-M287 PolarHBondContact O-N 2.8Å; G285-L288 PolarHBondContact O-N 2.87Å; G285-L288 VanDerWaalsContact O-N 3.11Å; G285-K289 PolarHBondContact O-N 2.98Å
286S95.9Very high93.9Very high53 Ų5355.7 Ų55.737%0.37130%0.297SS..Hα-helixtrans-61.1-28-179.561.10000113.8N241 L288 K289 T290N241-S286 PolarHBondContact ND2-N 2.87Å; N241-S286 PolarHBondContact ND2-OG 3.04Å; N241-S286 PolarHBondContact OD1-N 3.08Å; N241-S286 VanDerWaalsContact OD1-N 3.08Å; S286-L288 PolarHBondContact O-N 3Å; S286-K289 PolarHBondContact O-N 3.43Å; S286-T290 PolarHBondContact O-N 3.04Å; S286-T290 PolarHBondContact O-OG1 3.28Å
287M96.8Very high94.4Very high59 Ų5950.9 Ų50.929%0.29127%0.274SS..Hα-helixtrans-60.3-20.6176.8-63.8-58.4158.300113.3N241 V260 R263 S264 G285N241-M287 HydrophobicContact CB-CG 4.42Å; N241-M287 WeakPolarHBondContact OD1-CB 3.35Å; N241-M287 VanDerWaalsContact OD1-CG 3.29Å; N241-M287 WeakPolarHBondContact OD1-CG 3.47Å; N241-M287 PolarHBondContact OD1-N 3.13Å; V260-M287 HydrophobicContact CB-CB 4.08Å; V260-M287 HydrophobicContact CG1-CB 3.59Å; V260-M287 HydrophobicContact CG1-CG 4.49Å; R263-M287 HydrophobicContact CB-SD 3.95Å; R263-M287 PolarHBondContact N-SD 3.47Å; S264-M287 PolarHBondContact N-O 3.38Å; G285-M287 PolarHBondContact O-N 2.8Å
288L97.6Very high94.9Very high0 Ų043.8 Ų43.80%024%0.24CC..Hα-helixtrans-108.2-36.7173.1-69.7176.7000113.2L231 T232 V239 V260 G267 Y268 V284 G285 S286L231-L288 HydrophobicContact CD1-CD2 4.36Å; T232-L288 HydrophobicContact CG2-CD2 4.19Å; V239-L288 HydrophobicContact CB-CD1 4.06Å; V239-L288 HydrophobicContact CG1-CD1 4.13Å; V260-L288 HydrophobicContact CB-CG 4.48Å; V260-L288 HydrophobicContact CG1-CD2 4.44Å; V260-L288 HydrophobicContact CG1-CG 4.32Å; V260-L288 HydrophobicContact CG2-CD1 3.73Å; V260-L288 HydrophobicContact CG2-CD2 4.41Å; V260-L288 HydrophobicContact CG2-CG 3.92Å; G267-L288 CarbonylContact C-O 3.57Å; G267-L288 WeakPolarHBondContact CA-O 3.13Å; Y268-L288 HydrophobicContact CD1-CD1 4.25Å; Y268-L288 PolarHBondContact N-O 2.87Å; V284-L288 HydrophobicContact CG1-CB 3.64Å; V284-L288 HydrophobicContact CG1-CD1 4.02Å; V284-L288 HydrophobicContact CG1-CG 4.48Å; G285-L288 PolarHBondContact O-N 2.87Å; G285-L288 VanDerWaalsContact O-N 3.11Å; S286-L288 PolarHBondContact O-N 3Å
289K96.8Very high95.1Very high40 Ų4035 Ų3517%0.17421%0.208CC..Hα-helixtrans-71.4-30.1179.9-73.2-172.1175.5173.50113.2L269 V284 G285 S286 P291 W296 T372 K373L269-K289 HydrophobicContact CD2-CG 4.16Å; V284-K289 HydrophobicContact CB-CD 4.5Å; V284-K289 HydrophobicContact CB-CG 4.1Å; V284-K289 HydrophobicContact CG1-CG 3.9Å; V284-K289 VanDerWaalsContact O-CD 3.26Å; V284-K289 WeakPolarHBondContact O-CD 3.41Å; V284-K289 WeakPolarHBondContact O-CE 3.33Å; V284-K289 PolarHBondContact O-NZ 3.2Å; G285-K289 PolarHBondContact O-N 2.98Å; S286-K289 PolarHBondContact O-N 3.43Å; K289-P291 VanDerWaalsContact O-CD 3.24Å; K289-P291 WeakPolarHBondContact O-CD 3.42Å; K289-W296 PolarHBondContact O-NE1 3.25Å; K289-T372 WeakPolarHBondContact CE-O 3.41Å; K289-T372 PolarHBondContact NZ-O 2.86Å; K289-K373 WeakPolarHBondContact O-CD 3.31Å; K289-K373 WeakPolarHBondContact O-CE 3.11Å; K289-K373 PolarHBondContact O-NZ 2.86Å
290T96.3Very high95.5Very high47 Ų4732.4 Ų32.429%0.28818%0.176SC..SBendtrans-115.670.6177.851.70000110.1R263 S286 K373R263-T290 WeakPolarHBondContact CG-O 3.48Å; R263-T290 VanDerWaalsContact CZ-O 3.27Å; R263-T290 PolarHBondContact NE-O 2.76Å; R263-T290 PolarHBondContact NH2-O 3.33Å; S286-T290 PolarHBondContact O-N 3.04Å; S286-T290 PolarHBondContact O-OG1 3.28Å; T290-K373 VanDerWaalsContact CG2-NZ 3.34Å
291P97.3Very high95.6Very high0 Ų033.3 Ų33.30%017%0.17CC..  trans-63.3167.1178.229.1-37.7000113R263 S264 G267 K289 F293 W296 L315R263-P291 PolarHBondContact NE-O 2.89Å; R263-P291 PolarHBondContact NH2-O 2.86Å; S264-P291 CarbonylContact O-C 3.6Å; S264-P291 VanDerWaalsContact O-CA 3.29Å; S264-P291 WeakPolarHBondContact O-CA 3.48Å; G267-P291 VanDerWaalsContact N-CB 3.25Å; K289-P291 VanDerWaalsContact O-CD 3.24Å; K289-P291 WeakPolarHBondContact O-CD 3.42Å; P291-F293 VanDerWaalsContact C-N 3.32Å; P291-F293 WeakPolarHBondContact CB-O 3.44Å; P291-F293 WeakPolarHBondContact CG-O 3.39Å; P291-W296 HydrophobicContact CG-CD2 4.37Å; P291-W296 HydrophobicContact CG-CZ2 4.07Å; P291-L315 HydrophobicContact CG-CD1 3.82Å; P291-L315 VanDerWaalsContact O-CD1 3.31Å; P291-L315 WeakPolarHBondContact O-CD1 3.44Å
292R96Very high95.6Very high141 Ų14136.4 Ų36.453%0.53219%0.194SC..SBendtrans-68.9-31.4176.5-65.6165.9172.6-177-1.2112.4R263 S264 D265R263-R292 HydrophobicContact CG-CG 4.11Å; R263-R292 PolarHBondContact O-NE 3.05Å; S264-R292 PolarHBondContact O-N 3.04Å; D265-R292 WeakPolarHBondContact OD1-CD 3.48Å; D265-R292 IonicContact OD1-CZ 2.76Å; D265-R292 IonicContact OD1-NE 3.24Å; D265-R292 IonicContact OD1-NH1 3.78Å; D265-R292 PolarHBondContact OD1-NH1 3.36Å; D265-R292 VanDerWaalsContact OD1-NH1 3.12Å
293F96.4Very high95.7Very high26 Ų2635.9 Ų35.911%0.11419%0.192CC..SBendtrans-117142.1172.8-59-83.1000109.1K82 F86 D265 P291 V295K82-F293 HydrophobicContact CD-CD2 3.7Å; K82-F293 HydrophobicContact CD-CE2 4.05Å; K82-F293 HydrophobicContact CD-CG 4.34Å; K82-F293 HydrophobicContact CG-CB 4.13Å; K82-F293 HydrophobicContact CG-CD2 3.79Å; K82-F293 HydrophobicContact CG-CE2 4.34Å; K82-F293 HydrophobicContact CG-CG 3.9Å; F86-F293 HydrophobicContact CB-CD1 3.53Å; F86-F293 HydrophobicContact CB-CE1 3.5Å; F86-F293 VanDerWaalsContact CB-CE1 3.5Å; F86-F293 HydrophobicContact CD1-CD1 4.4Å; F86-F293 HydrophobicContact CD2-CB 3.87Å; F86-F293 AromaticContact CD2-CD1 3.47Å; F86-F293 HydrophobicContact CD2-CD1 3.47Å; F86-F293 VanDerWaalsContact CD2-CD1 3.47Å; F86-F293 HydrophobicContact CD2-CE1 4.34Å; F86-F293 AromaticContact CD2-CG 3.96Å; F86-F293 HydrophobicContact CD2-CG 3.96Å; F86-F293 HydrophobicContact CE2-CB 4.06Å; F86-F293 HydrophobicContact CE2-CD1 4.29Å; F86-F293 AromaticContact CG-CD1 3.54Å; F86-F293 HydrophobicContact CG-CD1 3.54Å; F86-F293 HydrophobicContact CG-CE1 4.04Å; F86-F293 HydrophobicContact CG-CG 4.45Å; D265-F293 HydrophobicContact CB-CD2 4.24Å; D265-F293 PolarHBondContact O-N 3.26Å; D265-F293 VanDerWaalsContact O-N 3.13Å; P291-F293 VanDerWaalsContact C-N 3.32Å; P291-F293 WeakPolarHBondContact CB-O 3.44Å; P291-F293 WeakPolarHBondContact CG-O 3.39Å; F293-V295 PolarHBondContact O-N 3Å
294P96.9Very high95.9Very high0 Ų029.9 Ų29.90%016%0.163CC..SBendtrans-75.862.9-175.635.6-40.6000111.5F86 W296 F308 S309 N311 L314 L315F86-P294 HydrophobicContact CE2-CG 4.25Å; F86-P294 HydrophobicContact CZ-CG 3.85Å; P294-W296 HydrophobicContact CB-CH2 3.7Å; P294-W296 HydrophobicContact CB-CZ3 3.85Å; P294-W296 VanDerWaalsContact O-CZ3 3.29Å; P294-W296 WeakPolarHBondContact O-CZ3 3.13Å; P294-F308 CarbonylContact O-C 3.58Å; P294-F308 WeakPolarHBondContact O-CA 3.45Å; P294-S309 PolarHBondContact O-N 2.86Å; P294-N311 WeakPolarHBondContact CG-O 3.18Å; P294-L314 HydrophobicContact CB-CB 4.2Å; P294-L314 HydrophobicContact CB-CD2 4.18Å; P294-L315 HydrophobicContact CB-CD1 4.37Å; P294-L315 HydrophobicContact CB-CG 4.44Å
295V98.3Very high95.8Very high0 Ų029.6 Ų29.60%016%0.161CC..EExtended strand (participates in β ladder)trans-134.5129.6177.7-1720000106.8A78 I81 F86 V266 G267 F293 V306 L307 F308A78-V295 HydrophobicContact CB-CG1 3.81Å; A78-V295 WeakPolarHBondContact O-CG1 3.21Å; I81-V295 HydrophobicContact CB-CG1 4.45Å; I81-V295 HydrophobicContact CG2-CG1 4.29Å; I81-V295 HydrophobicContact CG2-CG2 4.18Å; F86-V295 HydrophobicContact CE2-CG2 3.97Å; V266-V295 HydrophobicContact CG1-CG1 4.35Å; G267-V295 PolarHBondContact N-O 3.13Å; F293-V295 PolarHBondContact O-N 3Å; V295-V306 HydrophobicContact CG1-CG1 3.96Å; V295-L307 CarbonylContact C-O 3.58Å; V295-F308 HydrophobicContact CB-CB 4.29Å; V295-F308 HydrophobicContact CG1-CB 4.09Å; V295-F308 HydrophobicContact CG2-CB 4.07Å
296W98.6Very high95.8Very high0 Ų029 Ų290%016%0.156CC..EExtended strand (participates in β ladder)trans-130138-177.8-62.7-98.2000110.8G267 L269 K289 P291 P294 V306 L307 L314 L315 L326 K373 W374G267-W296 WeakPolarHBondContact O-CA 3.37Å; L269-W296 HydrophobicContact CD1-CB 4.25Å; L269-W296 HydrophobicContact CD1-CG 4.13Å; L269-W296 HydrophobicContact CG-CB 4.19Å; L269-W296 HydrophobicContact CG-CG 4.1Å; K289-W296 PolarHBondContact O-NE1 3.25Å; P291-W296 HydrophobicContact CG-CD2 4.37Å; P291-W296 HydrophobicContact CG-CZ2 4.07Å; P294-W296 HydrophobicContact CB-CH2 3.7Å; P294-W296 HydrophobicContact CB-CZ3 3.85Å; P294-W296 VanDerWaalsContact O-CZ3 3.29Å; P294-W296 WeakPolarHBondContact O-CZ3 3.13Å; W296-V306 WeakPolarHBondContact O-CA 3.34Å; W296-V306 WeakPolarHBondContact O-CG1 3.39Å; W296-L307 PolarHBondContact N-O 3.04Å; W296-L307 PolarHBondContact O-N 2.75Å; W296-L314 HydrophobicContact CH2-CD2 4.14Å; W296-L315 HydrophobicContact CH2-CD1 3.85Å; W296-L315 HydrophobicContact CH2-CD2 3.95Å; W296-L315 HydrophobicContact CH2-CG 4.1Å; W296-L315 HydrophobicContact CZ2-CD1 3.42Å; W296-L315 VanDerWaalsContact CZ2-CD1 3.42Å; W296-L315 HydrophobicContact CZ2-CD2 3.7Å; W296-L315 HydrophobicContact CZ2-CG 3.99Å; W296-L326 HydrophobicContact CZ3-CD2 4.26Å; W296-K373 HydrophobicContact CZ2-CD 4.05Å; W296-W374 AromaticContact CH2-CH2 3.79Å; W296-W374 HydrophobicContact CH2-CH2 3.79Å; W296-W374 HydrophobicContact CH2-CZ2 4.2Å; W296-W374 HydrophobicContact CZ2-CH2 4.04Å; W296-W374 HydrophobicContact CZ2-CZ2 4.37Å; W296-W374 HydrophobicContact CZ3-CH2 4.23Å
297V98.4Very high95.9Very high0 Ų026.5 Ų26.50%014%0.138CC..EExtended strand (participates in β ladder)trans-82.8126.9160.1-179.10000107.7V75 A78 L231 V266 G267 Y268 L269 Y304 S305V75-V297 HydrophobicContact CB-CG2 4.29Å; V75-V297 HydrophobicContact CG1-CG2 4.49Å; V75-V297 HydrophobicContact CG2-CG1 4.17Å; V75-V297 HydrophobicContact CG2-CG2 4.01Å; A78-V297 HydrophobicContact CB-CG2 3.65Å; L231-V297 HydrophobicContact CD2-CG2 4.15Å; V266-V297 HydrophobicContact CG1-CG2 4.15Å; G267-V297 PolarHBondContact O-N 3.48Å; Y268-V297 CarbonylContact C-O 3.54Å; Y268-V297 VanDerWaalsContact CA-O 3.29Å; Y268-V297 WeakPolarHBondContact CA-O 3.19Å; Y268-V297 HydrophobicContact CD2-CB 4.33Å; Y268-V297 HydrophobicContact CD2-CG1 4.42Å; Y268-V297 WeakPolarHBondContact CD2-O 3.49Å; L269-V297 PolarHBondContact N-O 2.66Å; V297-Y304 HydrophobicContact CG1-CD1 4.29Å; V297-S305 WeakPolarHBondContact CA-O 3.19Å
298C97.6Very high96Very high0 Ų023.7 Ų23.70%012%0.124CC..EExtended strand (participates in β ladder)trans-106.4121.3178.1-63.30000109.6L269 I300 Y304 S305 T369L269-C298 WeakPolarHBondContact O-CA 3.35Å; C298-I300 HydrophobicContact CB-CD1 3.95Å; C298-I300 HydrophobicContact CB-CG1 3.89Å; C298-Y304 WeakPolarHBondContact O-CA 3.26Å; C298-S305 PolarHBondContact N-O 3.34Å; C298-S305 PolarHBondContact O-N 2.77Å; C298-S305 PolarHBondContact O-OG 3.27Å; C298-T369 HydrophobicContact CB-CG2 4.14Å
299C95.9Very high95.9Very high4 Ų423.9 Ų23.93%0.02713%0.125CC..EExtended strand (participates in β ladder)trans-95110.4164.8-175.30000108.6Y268 L269 H270 W271 S303 Y304Y268-C299 HydrophobicContact CE2-CB 3.73Å; Y268-C299 WeakPolarHBondContact OH-CB 3.31Å; L269-C299 PolarHBondContact O-N 3.22Å; H270-C299 WeakPolarHBondContact CA-O 3.24Å; W271-C299 PolarHBondContact N-O 3.5Å; C299-S303 CarbonylContact C-O 3.43Å; C299-S303 WeakPolarHBondContact CA-O 3.04Å; C299-Y304 HydrophobicContact CB-CD1 4.17Å; C299-Y304 HydrophobicContact CB-CE1 3.84Å
300I93.9Very high95.7Very high17 Ų1723.9 Ų23.99%0.08713%0.127CC..EExtended strand (participates in β ladder)trans-124.1109.2-173.8-48.7-177.9000107.5W271 C298 S302 S303 Y328 L366 T369W271-I300 CarbonylContact O-C 3.39Å; W271-I300 WeakPolarHBondContact O-CA 3.29Å; C298-I300 HydrophobicContact CB-CD1 3.95Å; C298-I300 HydrophobicContact CB-CG1 3.89Å; I300-S302 PolarHBondContact O-N 2.74Å; I300-S303 PolarHBondContact N-O 2.61Å; I300-S303 WeakPolarHBondContact O-CA 3.48Å; I300-S303 VanDerWaalsContact O-CB 3.31Å; I300-S303 WeakPolarHBondContact O-CB 3.42Å; I300-S303 PolarHBondContact O-N 3.16Å; I300-Y328 HydrophobicContact CD1-CE2 4.47Å; I300-L366 HydrophobicContact CD1-CB 4.31Å; I300-L366 HydrophobicContact CD1-CD1 3.67Å; I300-T369 HydrophobicContact CD1-CG2 4.44Å; I300-T369 HydrophobicContact CG1-CG2 4.22Å; I300-T369 WeakPolarHBondContact CG1-OG1 3.47Å
301N90.9Very high95.6Very high67 Ų6724.4 Ų24.436%0.35813%0.128SC..THydrogen-bonded Turntrans48.145.7-176.2-58.2-40000112.2W271 S272 R273 S303 S365W271-N301 PolarHBondContact O-N 3.49Å; S272-N301 WeakPolarHBondContact CA-OD1 3.36Å; R273-N301 PolarHBondContact N-OD1 2.86Å; N301-S303 PolarHBondContact O-N 3.27Å; N301-S365 PolarHBondContact ND2-OG 3.06Å
302S88.6Confident95.2Very high92 Ų9231.1 Ų31.164%0.64315%0.153SC*.THydrogen-bonded Turntrans687.8-176.6-49.30000116.3I300I300-S302 PolarHBondContact O-N 2.74Å
303S91.6Very high95Very high42 Ų4226.8 Ų26.829%0.29415%0.145SC..EExtended strand (participates in β ladder)trans-99.4143.5170.7-174.40000110.8R70 C299 I300 N301R70-S303 PolarHBondContact NH1-OG 3.27Å; R70-S303 PolarHBondContact NH2-OG 3.37Å; C299-S303 CarbonylContact C-O 3.43Å; C299-S303 WeakPolarHBondContact CA-O 3.04Å; I300-S303 PolarHBondContact N-O 2.61Å; I300-S303 WeakPolarHBondContact O-CA 3.48Å; I300-S303 VanDerWaalsContact O-CB 3.31Å; I300-S303 WeakPolarHBondContact O-CB 3.42Å; I300-S303 PolarHBondContact O-N 3.16Å; N301-S303 PolarHBondContact O-N 3.27Å
304Y95.4Very high94.9Very high21 Ų2125.6 Ų25.68%0.08214%0.14CC..EExtended strand (participates in β ladder)trans-107138.8-177.2-61.8-89.8000111.5R70 A71 M74 L227 V297 C298 C299R70-Y304 PolarHBondContact NE-O 3.14Å; R70-Y304 PolarHBondContact NH2-O 2.76Å; A71-Y304 HydrophobicContact CB-CD1 4.26Å; A71-Y304 HydrophobicContact CB-CD2 3.56Å; A71-Y304 HydrophobicContact CB-CE1 4.2Å; A71-Y304 HydrophobicContact CB-CE2 3.5Å; A71-Y304 VanDerWaalsContact CB-CE2 3.5Å; A71-Y304 HydrophobicContact CB-CG 3.96Å; M74-Y304 WeakPolarHBondContact CG-O 3.46Å; L227-Y304 HydrophobicContact CD1-CE1 3.56Å; L227-Y304 HydrophobicContact CD2-CD1 4.41Å; L227-Y304 HydrophobicContact CD2-CE1 3.87Å; L227-Y304 HydrophobicContact CG-CE1 4.34Å; V297-Y304 HydrophobicContact CG1-CD1 4.29Å; C298-Y304 WeakPolarHBondContact O-CA 3.26Å; C299-Y304 HydrophobicContact CB-CD1 4.17Å; C299-Y304 HydrophobicContact CB-CE1 3.84Å
305S95.9Very high94.6Very high1 Ų126.4 Ų26.41%0.00714%0.144CC..EExtended strand (participates in β ladder)trans-152.1175.6-179.951.90000110.2V297 C298 Y328 C329V297-S305 WeakPolarHBondContact CA-O 3.19Å; C298-S305 PolarHBondContact N-O 3.34Å; C298-S305 PolarHBondContact O-N 2.77Å; C298-S305 PolarHBondContact O-OG 3.27Å; S305-Y328 VanDerWaalsContact CB-CE2 3.48Å; S305-Y328 WeakPolarHBondContact CB-OH 3.29Å; S305-Y328 VanDerWaalsContact OG-CE2 3.31Å; S305-Y328 WeakPolarHBondContact OG-CE2 3.5Å; S305-Y328 PolarHBondContact OG-OH 2.95Å; S305-C329 WeakPolarHBondContact CB-O 3.46Å
306V97.8Very high94.2Very high0 Ų031 Ų310%018%0.176CC..EExtended strand (participates in β ladder)trans-127133.1-179.7-176.90000110.5M74 Q77 A78 I81 V295 W296 C329M74-V306 HydrophobicContact CB-CG2 4.37Å; M74-V306 VanDerWaalsContact O-CG2 3.25Å; M74-V306 WeakPolarHBondContact O-CG2 3.45Å; M74-V306 HydrophobicContact SD-CG2 4.44Å; Q77-V306 HydrophobicContact CB-CG2 4.01Å; Q77-V306 HydrophobicContact CG-CG2 3.89Å; A78-V306 HydrophobicContact CB-CG1 3.84Å; A78-V306 HydrophobicContact CB-CG2 3.96Å; I81-V306 HydrophobicContact CD1-CG1 3.92Å; V295-V306 HydrophobicContact CG1-CG1 3.96Å; W296-V306 WeakPolarHBondContact O-CA 3.34Å; W296-V306 WeakPolarHBondContact O-CG1 3.39Å; V306-C329 PolarHBondContact N-O 3.02Å; V306-C329 PolarHBondContact O-N 3.12Å
307L97.8Very high93.6Very high0 Ų033.3 Ų33.30%019%0.188CC..EExtended strand (participates in β ladder)trans-117.4137.4173.9-17070.6000108.5L269 V295 W296 L326 F327 Y328 L341 I370L269-L307 HydrophobicContact CD1-CD2 4.28Å; V295-L307 CarbonylContact C-O 3.58Å; W296-L307 PolarHBondContact N-O 3.04Å; W296-L307 PolarHBondContact O-N 2.75Å; L307-L326 HydrophobicContact CD1-CB 3.87Å; L307-L326 HydrophobicContact CD1-CD1 4.2Å; L307-L326 HydrophobicContact CD2-CD1 3.68Å; L307-L326 HydrophobicContact CG-CB 4.26Å; L307-L326 HydrophobicContact CG-CD1 4.02Å; L307-F327 CarbonylContact C-O 3.51Å; L307-F327 WeakPolarHBondContact CA-O 3.25Å; L307-Y328 HydrophobicContact CD1-CD2 4.39Å; L307-L341 HydrophobicContact CD1-CD1 4.38Å; L307-I370 HydrophobicContact CD2-CD1 4.26Å; L307-I370 HydrophobicContact CD2-CG1 3.77Å
308F97.6Very high92.9Very high0 Ų041.2 Ų41.20%022%0.218CC..EExtended strand (participates in β ladder)trans-152.3160.7-179.566.1-81.2000113.1Y60 I81 L85 L100 P294 V295 L310 L326 F327Y60-F308 HydrophobicContact CE2-CE1 4.39Å; Y60-F308 HydrophobicContact CE2-CZ 4.22Å; I81-F308 HydrophobicContact CD1-CD1 3.81Å; I81-F308 HydrophobicContact CD1-CE1 3.82Å; I81-F308 HydrophobicContact CD1-CG 4.44Å; I81-F308 HydrophobicContact CD1-CZ 4.44Å; I81-F308 HydrophobicContact CG2-CB 4.09Å; I81-F308 HydrophobicContact CG2-CD1 4.21Å; I81-F308 HydrophobicContact CG2-CD2 3.81Å; I81-F308 HydrophobicContact CG2-CE2 4.24Å; I81-F308 HydrophobicContact CG2-CG 3.79Å; L85-F308 HydrophobicContact CD1-CD2 3.74Å; L85-F308 HydrophobicContact CD1-CE2 4.13Å; L100-F308 HydrophobicContact CD1-CE2 3.97Å; L100-F308 HydrophobicContact CD1-CZ 4.12Å; P294-F308 CarbonylContact O-C 3.58Å; P294-F308 WeakPolarHBondContact O-CA 3.45Å; V295-F308 HydrophobicContact CB-CB 4.29Å; V295-F308 HydrophobicContact CG1-CB 4.09Å; V295-F308 HydrophobicContact CG2-CB 4.07Å; F308-L310 HydrophobicContact CD2-CD2 4.49Å; F308-L310 HydrophobicContact CE2-CD2 4.05Å; F308-L326 CarbonylContact O-C 3.57Å; F308-L326 WeakPolarHBondContact O-CA 3.34Å; F308-F327 HydrophobicContact CD1-CB 3.92Å; F308-F327 VanDerWaalsContact CD1-O 3.29Å; F308-F327 WeakPolarHBondContact CD1-O 3.4Å; F308-F327 HydrophobicContact CD2-CB 4.12Å; F308-F327 HydrophobicContact CD2-CD2 4.43Å; F308-F327 HydrophobicContact CE1-CB 3.47Å; F308-F327 VanDerWaalsContact CE1-CB 3.47Å; F308-F327 HydrophobicContact CE2-CB 3.7Å; F308-F327 HydrophobicContact CE2-CD2 4.14Å; F308-F327 HydrophobicContact CE2-CG 4.1Å; F308-F327 HydrophobicContact CG-CB 4.23Å; F308-F327 HydrophobicContact CZ-CB 3.35Å; F308-F327 HydrophobicContact CZ-CG 4.09Å; F308-F327 PolarHBondContact N-O 3.1Å; F308-F327 PolarHBondContact O-N 3.35Å
309S96.1Very high92.3Very high4 Ų449.1 Ų49.13%0.02825%0.248CC..  trans-116.3150.4168.4-165.20000110.5P294 N311 Q325P294-S309 PolarHBondContact O-N 2.86Å; S309-N311 VanDerWaalsContact C-N 3.33Å; S309-N311 PolarHBondContact OG-N 2.75Å; S309-Q325 PolarHBondContact OG-O 3.43Å
310L93.6Very high91.8Very high40 Ų4052.6 Ų52.621%0.20927%0.265CS..SBendtrans-78.5-22.4170.8-58.8174.7000111.6L85 V97 F308 R312 F327L85-L310 HydrophobicContact CD1-CD2 4.09Å; L85-L310 HydrophobicContact CD2-CD2 3.63Å; V97-L310 HydrophobicContact CG2-CD1 4.03Å; F308-L310 HydrophobicContact CD2-CD2 4.49Å; F308-L310 HydrophobicContact CE2-CD2 4.05Å; L310-R312 PolarHBondContact O-N 2.86Å; L310-F327 HydrophobicContact CD1-CD2 4.38Å; L310-F327 HydrophobicContact CD1-CE2 3.56Å; L310-F327 HydrophobicContact CD1-CZ 3.81Å; L310-F327 HydrophobicContact CG-CD2 4.01Å; L310-F327 HydrophobicContact CG-CE2 3.57Å; L310-F327 HydrophobicContact CG-CZ 4.32Å
311N92.2Very high91.6Very high58 Ų5854 Ų5431%0.3127%0.271SS..  trans-83.4100.1-179.3-178.81000110.6P294 S309 S313 L314 M320P294-N311 WeakPolarHBondContact CG-O 3.18Å; S309-N311 VanDerWaalsContact C-N 3.33Å; S309-N311 PolarHBondContact OG-N 2.75Å; N311-S313 PolarHBondContact O-N 3.48Å; N311-S313 VanDerWaalsContact O-N 3.08Å; N311-S313 WeakPolarHBondContact OD1-CB 3.27Å; N311-S313 PolarHBondContact OD1-N 3.04Å; N311-L314 VanDerWaalsContact O-CB 3.26Å; N311-L314 WeakPolarHBondContact O-CB 3.42Å; N311-L314 PolarHBondContact O-N 3.46Å; N311-M320 PolarHBondContact ND2-SD 2.69Å
312R90.9Very high91.5Very high140 Ų14054 Ų5453%0.52827%0.268SS..G310 helixtrans-50.7-35.2177.3-174.4177.3177.9177.6-0.2113.1F86 L310 L314F86-R312 HydrophobicContact CD1-CB 3.92Å; F86-R312 HydrophobicContact CD1-CG 4.06Å; F86-R312 HydrophobicContact CE1-CB 3.67Å; F86-R312 HydrophobicContact CE1-CG 4.21Å; L310-R312 PolarHBondContact O-N 2.86Å; R312-L314 VanDerWaalsContact C-N 3.29Å; R312-L314 PolarHBondContact O-N 2.96Å
313S90.7Very high91.7Very high51 Ų5155.6 Ų55.636%0.35727%0.266SS..G310 helixtrans-83.4-0.5-174.5-57.20000114N311 L315 S316 D317N311-S313 PolarHBondContact O-N 3.48Å; N311-S313 VanDerWaalsContact O-N 3.08Å; N311-S313 WeakPolarHBondContact OD1-CB 3.27Å; N311-S313 PolarHBondContact OD1-N 3.04Å; S313-L315 PolarHBondContact O-N 2.56Å; S313-S316 WeakPolarHBondContact CA-OG 3.46Å; S313-S316 PolarHBondContact O-N 3.19Å; S313-S316 PolarHBondContact O-OG 3.48Å; S313-D317 PolarHBondContact O-N 3Å
314L94Very high91.8Very high0 Ų054.4 Ų54.40%026%0.255CS..G310 helixtrans-48.7-40-176.6175.561.1000112.8P294 W296 N311 R312 M320 E321 F324 L326 W374P294-L314 HydrophobicContact CB-CB 4.2Å; P294-L314 HydrophobicContact CB-CD2 4.18Å; W296-L314 HydrophobicContact CH2-CD2 4.14Å; N311-L314 VanDerWaalsContact O-CB 3.26Å; N311-L314 WeakPolarHBondContact O-CB 3.42Å; N311-L314 PolarHBondContact O-N 3.46Å; R312-L314 VanDerWaalsContact C-N 3.29Å; R312-L314 PolarHBondContact O-N 2.96Å; L314-M320 HydrophobicContact CD1-CB 4.49Å; L314-M320 WeakPolarHBondContact CD1-O 3.39Å; L314-E321 HydrophobicContact CD1-CG 4.25Å; L314-E321 WeakPolarHBondContact O-CG 3.5Å; L314-F324 HydrophobicContact CD1-CB 3.74Å; L314-F324 HydrophobicContact CD1-CD1 3.69Å; L314-F324 HydrophobicContact CD1-CD2 3.66Å; L314-F324 HydrophobicContact CD1-CE1 4.21Å; L314-F324 HydrophobicContact CD1-CE2 4.16Å; L314-F324 HydrophobicContact CD1-CG 3.41Å; L314-F324 VanDerWaalsContact CD1-CG 3.41Å; L314-F324 HydrophobicContact CD1-CZ 4.43Å; L314-F324 HydrophobicContact CD2-CD2 3.74Å; L314-F324 HydrophobicContact CD2-CE2 3.96Å; L314-F324 HydrophobicContact CD2-CG 4.35Å; L314-F324 HydrophobicContact CG-CD2 4.37Å; L314-L326 HydrophobicContact CD2-CD2 4.11Å; L314-W374 HydrophobicContact CD2-CZ2 4.29Å
315L92.1Very high91.8Very high18 Ų1857.4 Ų57.49%0.09427%0.27CS..G310 helixtrans-101.84-175-55.9174.8000114.4P291 P294 W296 S313 W374P291-L315 HydrophobicContact CG-CD1 3.82Å; P291-L315 VanDerWaalsContact O-CD1 3.31Å; P291-L315 WeakPolarHBondContact O-CD1 3.44Å; P294-L315 HydrophobicContact CB-CD1 4.37Å; P294-L315 HydrophobicContact CB-CG 4.44Å; W296-L315 HydrophobicContact CH2-CD1 3.85Å; W296-L315 HydrophobicContact CH2-CD2 3.95Å; W296-L315 HydrophobicContact CH2-CG 4.1Å; W296-L315 HydrophobicContact CZ2-CD1 3.42Å; W296-L315 VanDerWaalsContact CZ2-CD1 3.42Å; W296-L315 HydrophobicContact CZ2-CD2 3.7Å; W296-L315 HydrophobicContact CZ2-CG 3.99Å; S313-L315 PolarHBondContact O-N 2.56Å; L315-W374 HydrophobicContact CD2-CZ2 4.24Å
316S88Confident91.9Very high95 Ų9557.3 Ų57.366%0.66427%0.27SS*.THydrogen-bonded Turntrans-114.7-17179.6560000112.8S313S313-S316 WeakPolarHBondContact CA-OG 3.46Å; S313-S316 PolarHBondContact O-N 3.19Å; S313-S316 PolarHBondContact O-OG 3.48Å
317D86.9Confident91.8Very high49 Ų4957.8 Ų57.826%0.26227%0.272SS..  trans-121.9110.3175.9-178.1-1.6000109.6S313 R319 M320S313-D317 PolarHBondContact O-N 3Å; D317-R319 PolarHBondContact O-N 3.27Å; D317-R319 VanDerWaalsContact O-N 3.1Å; D317-R319 WeakPolarHBondContact OD1-CB 3.4Å; D317-R319 PolarHBondContact OD1-N 3.06Å; D317-M320 HydrophobicContact CB-CB 4.41Å; D317-M320 HydrophobicContact CB-CG 3.77Å; D317-M320 WeakPolarHBondContact O-CB 3.2Å; D317-M320 PolarHBondContact O-N 3.1Å
318W82.8Confident91.6Very high166 Ų16658.4 Ų58.463%0.62927%0.274SS*.G310 helixtrans-57.2-27.3-178.467.2-90000113.1M320 E321 H322W318-M320 VanDerWaalsContact C-N 3.26Å; W318-M320 PolarHBondContact O-N 2.96Å; W318-E321 PolarHBondContact O-N 3.47Å; W318-H322 AromaticContact CE3-NE2 3.42Å; W318-H322 AromaticContact CZ3-CE1 3.55Å; W318-H322 AromaticContact CZ3-NE2 3.31Å; W318-H322 VanDerWaalsContact CZ3-NE2 3.31Å; W318-H322 WeakPolarHBondContact CZ3-NE2 3.44Å; W318-H322 PolarHBondContact O-CD2 3.32Å
319R85.8Confident91.4Very high167 Ų16758.5 Ų58.563%0.6328%0.275SS*.G310 helixtrans-67.7-30.6177.5-62.6178175.3175.2-0.9111.9D317 E321 H322D317-R319 PolarHBondContact O-N 3.27Å; D317-R319 VanDerWaalsContact O-N 3.1Å; D317-R319 WeakPolarHBondContact OD1-CB 3.4Å; D317-R319 PolarHBondContact OD1-N 3.06Å; R319-E321 PolarHBondContact O-N 3.09Å; R319-H322 PolarHBondContact O-N 2.98Å
320M86.4Confident91.2Very high76 Ų7658.4 Ų58.437%0.37427%0.274SS..G310 helixtrans-73.6-19.2178.1-59.8-69176.300111.8N311 L314 D317 W318 H322 F324N311-M320 PolarHBondContact ND2-SD 2.69Å; L314-M320 HydrophobicContact CD1-CB 4.49Å; L314-M320 WeakPolarHBondContact CD1-O 3.39Å; D317-M320 HydrophobicContact CB-CB 4.41Å; D317-M320 HydrophobicContact CB-CG 3.77Å; D317-M320 WeakPolarHBondContact O-CB 3.2Å; D317-M320 PolarHBondContact O-N 3.1Å; W318-M320 VanDerWaalsContact C-N 3.26Å; W318-M320 PolarHBondContact O-N 2.96Å; M320-H322 VanDerWaalsContact C-N 3.27Å; M320-H322 PolarHBondContact O-N 2.75Å; M320-F324 WeakPolarHBondContact O-CD1 3.42Å
321E88.2Confident91Very high47 Ų4756.5 Ų56.522%0.2226%0.264CS..G310 helixtrans-830.6177.5-60.6-160.7-12600113.3L314 W318 R319 F324 T345 W374L314-E321 HydrophobicContact CD1-CG 4.25Å; L314-E321 WeakPolarHBondContact O-CG 3.5Å; W318-E321 PolarHBondContact O-N 3.47Å; R319-E321 PolarHBondContact O-N 3.09Å; E321-F324 WeakPolarHBondContact O-CE1 3Å; E321-T345 WeakPolarHBondContact O-CG2 3.32Å; E321-T345 PolarHBondContact O-OG1 3.05Å; E321-W374 PolarHBondContact OE2-NE1 3.38Å
322H88.8Confident91Very high66 Ų6655.7 Ų55.731%0.30626%0.258SS..SBendtrans-71.2-54.3177.5-71-170.1000112.3W318 R319 M320 T345 H346W318-H322 AromaticContact CE3-NE2 3.42Å; W318-H322 AromaticContact CZ3-CE1 3.55Å; W318-H322 AromaticContact CZ3-NE2 3.31Å; W318-H322 VanDerWaalsContact CZ3-NE2 3.31Å; W318-H322 WeakPolarHBondContact CZ3-NE2 3.44Å; W318-H322 PolarHBondContact O-CD2 3.32Å; R319-H322 PolarHBondContact O-N 2.98Å; M320-H322 VanDerWaalsContact C-N 3.27Å; M320-H322 PolarHBondContact O-N 2.75Å; H322-T345 WeakPolarHBondContact CA-OG1 3.47Å; H322-T345 PolarHBondContact O-N 3.14Å; H322-T345 PolarHBondContact O-OG1 3.44Å; H322-H346 AromaticContact CD2-CD2 3.61Å; H322-H346 AromaticContact CD2-NE2 3.07Å; H322-H346 PolarHBondContact CD2-NE2 2.79Å; H322-H346 AromaticContact CE1-NE2 3.72Å; H322-H346 AromaticContact CG-CD2 3.69Å; H322-H346 AromaticContact CG-NE2 3.55Å; H322-H346 AromaticContact ND1-NE2 3.94Å; H322-H346 AromaticContact NE2-CE1 3.89Å; H322-H346 AromaticContact NE2-NE2 3.18Å; H322-H346 PolarHBondContact NE2-NE2 3.46Å; H322-H346 VanDerWaalsContact NE2-NE2 3.18Å
323Q92.5Very high90.8Very high127 Ų12752.5 Ų52.559%0.59325%0.252SS*.EExtended strand (participates in β ladder)trans-146.7123.4177.2-171.8179.878.600109.3T342 V343 D344Q323-T342 HydrophobicContact CG-CG2 4.15Å; Q323-V343 CarbonylContact C-O 3.58Å; Q323-V343 VanDerWaalsContact CA-O 3.25Å; Q323-V343 WeakPolarHBondContact CA-O 3.33Å; Q323-D344 PolarHBondContact NE2-OD2 3.21Å
324F95.1Very high90.7Very high16 Ų1654.3 Ų54.37%0.0726%0.264CS..EExtended strand (participates in β ladder)trans-153166.2-173.157.3-86.8000112.7L314 M320 E321 L326 V343 T345 W374L314-F324 HydrophobicContact CD1-CB 3.74Å; L314-F324 HydrophobicContact CD1-CD1 3.69Å; L314-F324 HydrophobicContact CD1-CD2 3.66Å; L314-F324 HydrophobicContact CD1-CE1 4.21Å; L314-F324 HydrophobicContact CD1-CE2 4.16Å; L314-F324 HydrophobicContact CD1-CG 3.41Å; L314-F324 VanDerWaalsContact CD1-CG 3.41Å; L314-F324 HydrophobicContact CD1-CZ 4.43Å; L314-F324 HydrophobicContact CD2-CD2 3.74Å; L314-F324 HydrophobicContact CD2-CE2 3.96Å; L314-F324 HydrophobicContact CD2-CG 4.35Å; L314-F324 HydrophobicContact CG-CD2 4.37Å; M320-F324 WeakPolarHBondContact O-CD1 3.42Å; E321-F324 WeakPolarHBondContact O-CE1 3Å; F324-L326 HydrophobicContact CD2-CD2 3.89Å; F324-L326 HydrophobicContact CD2-CG 3.92Å; F324-L326 HydrophobicContact CE2-CD1 3.87Å; F324-L326 HydrophobicContact CE2-CD2 3.73Å; F324-L326 HydrophobicContact CE2-CG 3.64Å; F324-V343 HydrophobicContact CD2-CB 4.25Å; F324-V343 HydrophobicContact CE1-CB 4.11Å; F324-V343 HydrophobicContact CE1-CG1 4.01Å; F324-V343 HydrophobicContact CE2-CB 3.79Å; F324-V343 HydrophobicContact CE2-CG1 4.17Å; F324-V343 HydrophobicContact CE2-CG2 4.03Å; F324-V343 HydrophobicContact CZ-CB 3.68Å; F324-V343 HydrophobicContact CZ-CG1 3.59Å; F324-V343 HydrophobicContact CZ-CG2 4.31Å; F324-V343 PolarHBondContact N-O 3.47Å; F324-V343 PolarHBondContact O-N 2.94Å; F324-T345 HydrophobicContact CE1-CG2 4.09Å; F324-W374 HydrophobicContact CE1-CZ2 4.47Å; F324-W374 HydrophobicContact CE2-CD2 4.49Å; F324-W374 AromaticContact CE2-CH2 3.82Å; F324-W374 HydrophobicContact CE2-CH2 3.82Å; F324-W374 AromaticContact CE2-CZ2 3.69Å; F324-W374 HydrophobicContact CE2-CZ2 3.69Å; F324-W374 HydrophobicContact CE2-CZ3 4.31Å; F324-W374 AromaticContact CZ-CD2 3.72Å; F324-W374 HydrophobicContact CZ-CD2 3.72Å; F324-W374 AromaticContact CZ-CE2 3.35Å; F324-W374 HydrophobicContact CZ-CE3 4.19Å; F324-W374 HydrophobicContact CZ-CG 4.2Å; F324-W374 AromaticContact CZ-CH2 3.97Å; F324-W374 HydrophobicContact CZ-CH2 3.97Å; F324-W374 AromaticContact CZ-CZ2 3.48Å; F324-W374 HydrophobicContact CZ-CZ2 3.48Å; F324-W374 VanDerWaalsContact CZ-CZ2 3.48Å; F324-W374 HydrophobicContact CZ-CZ3 4.31Å; F324-W374 AromaticContact CZ-NE1 3.74Å
325Q95.4Very high90.3Very high84 Ų8454.7 Ų54.739%0.39327%0.266SS..EExtended strand (participates in β ladder)trans-99.8135.7177.4-68.8-178-19.300111.6S309 F327 L341S309-Q325 PolarHBondContact OG-O 3.43Å; Q325-F327 HydrophobicContact CB-CE2 4.2Å; Q325-F327 HydrophobicContact CB-CZ 4.41Å; Q325-L341 VanDerWaalsContact CA-O 3.31Å; Q325-L341 WeakPolarHBondContact CA-O 3.41Å
326L96.6Very high90.1Very high0 Ų063.1 Ų63.10%030%0.297CS..EExtended strand (participates in β ladder)trans-118.2146.9167.1-62.3-178.2000110.3W296 L307 F308 L314 F324 L341 V343 I370 W374W296-L326 HydrophobicContact CZ3-CD2 4.26Å; L307-L326 HydrophobicContact CD1-CB 3.87Å; L307-L326 HydrophobicContact CD1-CD1 4.2Å; L307-L326 HydrophobicContact CD2-CD1 3.68Å; L307-L326 HydrophobicContact CG-CB 4.26Å; L307-L326 HydrophobicContact CG-CD1 4.02Å; F308-L326 CarbonylContact O-C 3.57Å; F308-L326 WeakPolarHBondContact O-CA 3.34Å; L314-L326 HydrophobicContact CD2-CD2 4.11Å; F324-L326 HydrophobicContact CD2-CD2 3.89Å; F324-L326 HydrophobicContact CD2-CG 3.92Å; F324-L326 HydrophobicContact CE2-CD1 3.87Å; F324-L326 HydrophobicContact CE2-CD2 3.73Å; F324-L326 HydrophobicContact CE2-CG 3.64Å; L326-L341 HydrophobicContact CB-CB 4.42Å; L326-L341 PolarHBondContact N-O 2.94Å; L326-L341 PolarHBondContact O-N 2.86Å; L326-V343 HydrophobicContact CD1-CG2 3.73Å; L326-V343 HydrophobicContact CG-CG2 4.01Å; L326-I370 HydrophobicContact CD1-CD1 4.3Å; L326-I370 HydrophobicContact CD1-CG1 4.44Å; L326-W374 HydrophobicContact CD1-CH2 3.93Å; L326-W374 HydrophobicContact CD1-CZ3 3.65Å; L326-W374 HydrophobicContact CD2-CH2 4.25Å
327F95.6Very high90.2Very high9 Ų961 Ų614%0.03928%0.282CS..EExtended strand (participates in β ladder)trans-117.7135.1178.3-63.6-84000109.3V97 L307 F308 L310 Q325 T338 A339 R340V97-F327 HydrophobicContact CG2-CD1 3.5Å; V97-F327 HydrophobicContact CG2-CD2 4.48Å; V97-F327 HydrophobicContact CG2-CE1 3.15Å; V97-F327 HydrophobicContact CG2-CE2 4.22Å; V97-F327 HydrophobicContact CG2-CG 4.17Å; V97-F327 HydrophobicContact CG2-CZ 3.55Å; L307-F327 CarbonylContact C-O 3.51Å; L307-F327 WeakPolarHBondContact CA-O 3.25Å; F308-F327 HydrophobicContact CD1-CB 3.92Å; F308-F327 VanDerWaalsContact CD1-O 3.29Å; F308-F327 WeakPolarHBondContact CD1-O 3.4Å; F308-F327 HydrophobicContact CD2-CB 4.12Å; F308-F327 HydrophobicContact CD2-CD2 4.43Å; F308-F327 HydrophobicContact CE1-CB 3.47Å; F308-F327 VanDerWaalsContact CE1-CB 3.47Å; F308-F327 HydrophobicContact CE2-CB 3.7Å; F308-F327 HydrophobicContact CE2-CD2 4.14Å; F308-F327 HydrophobicContact CE2-CG 4.1Å; F308-F327 HydrophobicContact CG-CB 4.23Å; F308-F327 HydrophobicContact CZ-CB 3.35Å; F308-F327 HydrophobicContact CZ-CG 4.09Å; F308-F327 PolarHBondContact N-O 3.1Å; F308-F327 PolarHBondContact O-N 3.35Å; L310-F327 HydrophobicContact CD1-CD2 4.38Å; L310-F327 HydrophobicContact CD1-CE2 3.56Å; L310-F327 HydrophobicContact CD1-CZ 3.81Å; L310-F327 HydrophobicContact CG-CD2 4.01Å; L310-F327 HydrophobicContact CG-CE2 3.57Å; L310-F327 HydrophobicContact CG-CZ 4.32Å; Q325-F327 HydrophobicContact CB-CE2 4.2Å; Q325-F327 HydrophobicContact CB-CZ 4.41Å; F327-T338 HydrophobicContact CB-CG2 3.89Å; F327-T338 HydrophobicContact CD1-CG2 4.08Å; F327-T338 HydrophobicContact CG-CG2 4.45Å; F327-A339 CarbonylContact C-O 3.56Å; F327-A339 VanDerWaalsContact CA-O 3.32Å; F327-A339 WeakPolarHBondContact CA-O 3.32Å; F327-R340 HydrophobicContact CD1-CB 4.17Å; F327-R340 HydrophobicContact CD1-CG 4.21Å; F327-R340 HydrophobicContact CE1-CB 3.96Å; F327-R340 HydrophobicContact CE1-CG 3.63Å; F327-R340 HydrophobicContact CZ-CG 4.14Å
328Y95.2Very high90.3Very high14 Ų1459.5 Ų59.56%0.05528%0.275CS..EExtended strand (participates in β ladder)trans-121.2132.6-174.5173.7-93.9000112.1I300 S305 L307 N330 Q335 A339 L366 F387I300-Y328 HydrophobicContact CD1-CE2 4.47Å; S305-Y328 VanDerWaalsContact CB-CE2 3.48Å; S305-Y328 WeakPolarHBondContact CB-OH 3.29Å; S305-Y328 VanDerWaalsContact OG-CE2 3.31Å; S305-Y328 WeakPolarHBondContact OG-CE2 3.5Å; S305-Y328 PolarHBondContact OG-OH 2.95Å; L307-Y328 HydrophobicContact CD1-CD2 4.39Å; Y328-N330 HydrophobicContact CE1-CB 3.95Å; Y328-Q335 PolarHBondContact O-NE2 2.82Å; Y328-Q335 VanDerWaalsContact O-NE2 3.1Å; Y328-A339 HydrophobicContact CD1-CB 4.39Å; Y328-A339 PolarHBondContact N-O 2.9Å; Y328-A339 PolarHBondContact O-N 3.3Å; Y328-L366 HydrophobicContact CD1-CD2 4.06Å; Y328-L366 HydrophobicContact CD2-CD1 3.64Å; Y328-L366 HydrophobicContact CD2-CD2 3.42Å; Y328-L366 VanDerWaalsContact CD2-CD2 3.42Å; Y328-L366 HydrophobicContact CD2-CG 4.21Å; Y328-L366 HydrophobicContact CE1-CD2 4.39Å; Y328-L366 HydrophobicContact CE2-CD1 3.67Å; Y328-L366 HydrophobicContact CE2-CD2 3.77Å; Y328-L366 HydrophobicContact CE2-CG 4.33Å; Y328-L366 HydrophobicContact CG-CD2 3.55Å; Y328-F387 AromaticContact CD1-CD2 3.53Å; Y328-F387 HydrophobicContact CD1-CD2 3.53Å; Y328-F387 AromaticContact CD1-CE2 3.34Å; Y328-F387 HydrophobicContact CD1-CE2 3.34Å; Y328-F387 HydrophobicContact CD1-CG 4.48Å; Y328-F387 HydrophobicContact CD1-CZ 4.13Å; Y328-F387 HydrophobicContact CE1-CD1 4.34Å; Y328-F387 AromaticContact CE1-CD2 3.33Å; Y328-F387 HydrophobicContact CE1-CD2 3.33Å; Y328-F387 HydrophobicContact CE1-CE1 4.38Å; Y328-F387 AromaticContact CE1-CE2 3.43Å; Y328-F387 HydrophobicContact CE1-CE2 3.43Å; Y328-F387 VanDerWaalsContact CE1-CE2 3.43Å; Y328-F387 AromaticContact CE1-CG 3.86Å; Y328-F387 HydrophobicContact CE1-CG 3.86Å; Y328-F387 AromaticContact CE1-CZ 3.98Å; Y328-F387 HydrophobicContact CE1-CZ 3.98Å
329C93.1Very high90.8Very high1 Ų151.7 Ų51.71%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-139.4145.217358.20000112.2I61 S305 V306 Q335I61-C329 HydrophobicContact CD1-CB 3.59Å; I61-C329 HydrophobicContact CG1-CB 4.36Å; S305-C329 WeakPolarHBondContact CB-O 3.46Å; V306-C329 PolarHBondContact N-O 3.02Å; V306-C329 PolarHBondContact O-N 3.12Å; C329-Q335 VanDerWaalsContact CA-OE1 3.31Å
330N91.2Very high91.1Very high3 Ų349 Ų492%0.01624%0.235CC..  trans-126.1-3.6-173.971.821.8000114.3R70 Y328 Q332 Q335R70-N330 PolarHBondContact NH2-O 3.06Å; Y328-N330 HydrophobicContact CE1-CB 3.95Å; N330-Q332 PolarHBondContact ND2-OE1 3.27Å; N330-Q332 PolarHBondContact O-N 2.66Å; N330-Q332 VanDerWaalsContact OD1-CB 3.32Å; N330-Q332 WeakPolarHBondContact OD1-CB 3.19Å; N330-Q332 PolarHBondContact OD1-N 3.18Å; N330-Q335 PolarHBondContact OD1-OE1 2.89Å
331G90.8Very high91.6Very high0 Ų045.4 Ų45.40%022%0.217CC..  trans74-2.3176.700000115.3L62 A64L62-G331 WeakPolarHBondContact O-CA 3.31Å; A64-G331 PolarHBondContact N-O 3.22Å
332Q90.8Very high91.9Very high40 Ų4044.5 Ų44.519%0.18722%0.215CC..  trans-79.2140.6-178.7-60.9-176.4-49.300111.3R52 R70 N330 S334 Q335R52-Q332 PolarHBondContact NH2-O 3.08Å; R70-Q332 VanDerWaalsContact NH1-NE2 3.12Å; N330-Q332 PolarHBondContact ND2-OE1 3.27Å; N330-Q332 PolarHBondContact O-N 2.66Å; N330-Q332 VanDerWaalsContact OD1-CB 3.32Å; N330-Q332 WeakPolarHBondContact OD1-CB 3.19Å; N330-Q332 PolarHBondContact OD1-N 3.18Å; Q332-S334 PolarHBondContact O-N 2.67Å; Q332-Q335 WeakPolarHBondContact O-CB 3.29Å; Q332-Q335 PolarHBondContact O-N 2.97Å
333N86.9Confident92.2Very high73 Ų7341.4 Ų41.439%0.3920%0.201SC..THydrogen-bonded Turntrans-58.7-22.7179.4-67.5-17.1000114.3Q335N333-Q335 VanDerWaalsContact C-N 3.31Å
334S87.8Confident92.2Very high89 Ų8937.1 Ų37.162%0.62218%0.182SC*.THydrogen-bonded Turntrans-69.2-25.617353.40000113.5Q332 R336Q332-S334 PolarHBondContact O-N 2.67Å; S334-R336 PolarHBondContact O-N 3.24Å
335Q87.6Confident92Very high9 Ų938.2 Ų38.24%0.04219%0.19CC..  trans-70.5116.4174.3-175.1169.838.100109.1R52 L58 Y328 C329 N330 Q332 N333 S337R52-Q335 VanDerWaalsContact CZ-O 3.26Å; R52-Q335 PolarHBondContact NH1-O 2.79Å; R52-Q335 PolarHBondContact NH2-O 2.86Å; L58-Q335 HydrophobicContact CD1-CG 4.36Å; L58-Q335 WeakPolarHBondContact CD1-O 3.44Å; Y328-Q335 PolarHBondContact O-NE2 2.82Å; Y328-Q335 VanDerWaalsContact O-NE2 3.1Å; C329-Q335 VanDerWaalsContact CA-OE1 3.31Å; N330-Q335 PolarHBondContact OD1-OE1 2.89Å; Q332-Q335 WeakPolarHBondContact O-CB 3.29Å; Q332-Q335 PolarHBondContact O-N 2.97Å; N333-Q335 VanDerWaalsContact C-N 3.31Å; Q335-S337 WeakPolarHBondContact CG-O 3.49Å; Q335-S337 PolarHBondContact NE2-O 2.94Å; Q335-S337 VanDerWaalsContact NE2-O 3.12Å
336R87.6Confident91.4Very high194 Ų19439.1 Ų39.173%0.73219%0.194SC*.  trans-97.9-28.2179.9-61.5-59.2-175.5177.8-1.4113.2L58 S334L58-R336 WeakPolarHBondContact CD1-O 3.27Å; S334-R336 PolarHBondContact O-N 3.24Å
337S88.9Confident90.1Very high51 Ų5140.1 Ų40.136%0.35720%0.201SC..SBendtrans-138.5161.3179.958.50000111.6E57 Q335 A339E57-S337 VanDerWaalsContact OE1-CA 3.31Å; E57-S337 WeakPolarHBondContact OE1-CA 3.17Å; E57-S337 WeakPolarHBondContact OE1-CB 3.43Å; Q335-S337 WeakPolarHBondContact CG-O 3.49Å; Q335-S337 PolarHBondContact NE2-O 2.94Å; Q335-S337 VanDerWaalsContact NE2-O 3.12Å; S337-A339 PolarHBondContact O-N 3.3Å
338T90Very high88.3Confident18 Ų1846.1 Ų46.111%0.1123%0.229CC..  trans-78.3120.3173.9-61.60000109.2L58 Y60 F327 R340L58-T338 WeakPolarHBondContact CD2-OG1 3.35Å; Y60-T338 VanDerWaalsContact OH-CG2 3.27Å; Y60-T338 WeakPolarHBondContact OH-CG2 3.36Å; Y60-T338 PolarHBondContact OH-OG1 3.03Å; F327-T338 HydrophobicContact CB-CG2 3.89Å; F327-T338 HydrophobicContact CD1-CG2 4.08Å; F327-T338 HydrophobicContact CG-CG2 4.45Å; T338-R340 PolarHBondContact O-N 3.5Å
339A91.9Very high86.4Confident1 Ų153.6 Ų53.61%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-71.4134178.500000110F327 Y328 S337 T384 F387F327-A339 CarbonylContact C-O 3.56Å; F327-A339 VanDerWaalsContact CA-O 3.32Å; F327-A339 WeakPolarHBondContact CA-O 3.32Å; Y328-A339 HydrophobicContact CD1-CB 4.39Å; Y328-A339 PolarHBondContact N-O 2.9Å; Y328-A339 PolarHBondContact O-N 3.3Å; S337-A339 PolarHBondContact O-N 3.3Å; A339-T384 HydrophobicContact CB-CG2 3.99Å; A339-F387 HydrophobicContact CB-CE2 3.78Å; A339-F387 HydrophobicContact CB-CZ 4.49Å
340R93.9Very high84.7Confident111 Ų11161.8 Ų61.842%0.41930%0.295SS..EExtended strand (participates in β ladder)trans-112.1120.1179.1-177.6-178.569.5179.1-0.4109.3F327 T338 N382F327-R340 HydrophobicContact CD1-CB 4.17Å; F327-R340 HydrophobicContact CD1-CG 4.21Å; F327-R340 HydrophobicContact CE1-CB 3.96Å; F327-R340 HydrophobicContact CE1-CG 3.63Å; F327-R340 HydrophobicContact CZ-CG 4.14Å; T338-R340 PolarHBondContact O-N 3.5Å; R340-N382 PolarHBondContact O-ND2 2.84Å
341L94.8Very high82.6Confident0 Ų068.9 Ų68.90%033%0.328CS..EExtended strand (participates in β ladder)trans-109.1139.3179.2-51.5177.4000109.7L307 Q325 L326 L366 I370 I379 D380 W381L307-L341 HydrophobicContact CD1-CD1 4.38Å; Q325-L341 VanDerWaalsContact CA-O 3.31Å; Q325-L341 WeakPolarHBondContact CA-O 3.41Å; L326-L341 HydrophobicContact CB-CB 4.42Å; L326-L341 PolarHBondContact N-O 2.94Å; L326-L341 PolarHBondContact O-N 2.86Å; L341-L366 HydrophobicContact CD1-CD2 3.84Å; L341-L366 HydrophobicContact CD1-CG 4.4Å; L341-I370 HydrophobicContact CD1-CD1 3.61Å; L341-I379 HydrophobicContact CB-CG2 4.34Å; L341-I379 HydrophobicContact CD1-CG2 4.46Å; L341-I379 HydrophobicContact CD2-CG2 4.45Å; L341-D380 CarbonylContact C-O 3.15Å; L341-D380 WeakPolarHBondContact CA-O 3.26Å; L341-W381 HydrophobicContact CD2-CB 4.38Å; L341-W381 HydrophobicContact CD2-CD2 3.51Å; L341-W381 HydrophobicContact CD2-CE3 3.36Å; L341-W381 HydrophobicContact CD2-CG 4Å; L341-W381 HydrophobicContact CD2-CH2 4.31Å; L341-W381 HydrophobicContact CD2-CZ2 4.44Å; L341-W381 HydrophobicContact CD2-CZ3 3.78Å
342T95.1Very high80.4Confident29 Ų2973.3 Ų73.318%0.17837%0.365CS..EExtended strand (participates in β ladder)trans-102.4122.9166.3-54.40000107.6Q323 I379 D380 N382Q323-T342 HydrophobicContact CG-CG2 4.15Å; T342-I379 WeakPolarHBondContact O-CA 3.28Å; T342-D380 PolarHBondContact N-O 2.97Å; T342-D380 PolarHBondContact O-N 2.94Å; T342-N382 PolarHBondContact N-ND2 3.19Å; T342-N382 PolarHBondContact OG1-ND2 3.24Å; T342-N382 PolarHBondContact OG1-OD1 2.84Å; T342-N382 VanDerWaalsContact OG1-OD1 3.09Å
343V94.9Very high78.6Confident0 Ų075.4 Ų75.40%038%0.382CS..EExtended strand (participates in β ladder)trans-108.9128.1179.6-176.10000108.4Q323 F324 L326 T345 I370 A377 A378Q323-V343 CarbonylContact C-O 3.58Å; Q323-V343 VanDerWaalsContact CA-O 3.25Å; Q323-V343 WeakPolarHBondContact CA-O 3.33Å; F324-V343 HydrophobicContact CD2-CB 4.25Å; F324-V343 HydrophobicContact CE1-CB 4.11Å; F324-V343 HydrophobicContact CE1-CG1 4.01Å; F324-V343 HydrophobicContact CE2-CB 3.79Å; F324-V343 HydrophobicContact CE2-CG1 4.17Å; F324-V343 HydrophobicContact CE2-CG2 4.03Å; F324-V343 HydrophobicContact CZ-CB 3.68Å; F324-V343 HydrophobicContact CZ-CG1 3.59Å; F324-V343 HydrophobicContact CZ-CG2 4.31Å; F324-V343 PolarHBondContact N-O 3.47Å; F324-V343 PolarHBondContact O-N 2.94Å; L326-V343 HydrophobicContact CD1-CG2 3.73Å; L326-V343 HydrophobicContact CG-CG2 4.01Å; V343-T345 HydrophobicContact CG1-CG2 4.42Å; V343-I370 HydrophobicContact CG1-CG2 4.37Å; V343-I370 HydrophobicContact CG2-CG2 4.34Å; V343-A377 HydrophobicContact CG1-CB 3.77Å; V343-A378 WeakPolarHBondContact CA-O 3.41Å
344D93.3Very high76.8Confident38 Ų3877.4 Ų77.420%0.20340%0.399CS..EExtended strand (participates in β ladder)trans-121.5121174.7-169.7-35.6000109.4Q323 H346 S347 A377 A378Q323-D344 PolarHBondContact NE2-OD2 3.21Å; D344-H346 PolarHBondContact OD1-N 3.37Å; D344-S347 WeakPolarHBondContact CB-OG 3.21Å; D344-S347 PolarHBondContact O-OG 3.24Å; D344-S347 PolarHBondContact OD1-N 2.79Å; D344-S347 PolarHBondContact OD1-OG 3.15Å; D344-A377 CarbonylContact O-C 3.55Å; D344-A377 VanDerWaalsContact O-CA 3.27Å; D344-A377 WeakPolarHBondContact O-CA 3.48Å; D344-A378 PolarHBondContact N-O 3.11Å; D344-A378 PolarHBondContact O-N 3.08Å
345T90.8Very high75.2Confident38 Ų3878.3 Ų78.323%0.23341%0.412CS..SBendtrans-97-6.5-175.761.40000113.7E321 H322 F324 V343 W374 A377E321-T345 WeakPolarHBondContact O-CG2 3.32Å; E321-T345 PolarHBondContact O-OG1 3.05Å; H322-T345 WeakPolarHBondContact CA-OG1 3.47Å; H322-T345 PolarHBondContact O-N 3.14Å; H322-T345 PolarHBondContact O-OG1 3.44Å; F324-T345 HydrophobicContact CE1-CG2 4.09Å; V343-T345 HydrophobicContact CG1-CG2 4.42Å; T345-W374 HydrophobicContact CG2-CB 4Å; T345-W374 HydrophobicContact CG2-CG 4.13Å; T345-A377 HydrophobicContact CG2-CB 4.25Å
346H82.3Confident73.4Confident103 Ų10387 Ų8748%0.47745%0.453SS..SBendtrans-107.9-17.6-178-79.8-95000113.2H322 D344 H348H322-H346 AromaticContact CD2-CD2 3.61Å; H322-H346 AromaticContact CD2-NE2 3.07Å; H322-H346 PolarHBondContact CD2-NE2 2.79Å; H322-H346 AromaticContact CE1-NE2 3.72Å; H322-H346 AromaticContact CG-CD2 3.69Å; H322-H346 AromaticContact CG-NE2 3.55Å; H322-H346 AromaticContact ND1-NE2 3.94Å; H322-H346 AromaticContact NE2-CE1 3.89Å; H322-H346 AromaticContact NE2-NE2 3.18Å; H322-H346 PolarHBondContact NE2-NE2 3.46Å; H322-H346 VanDerWaalsContact NE2-NE2 3.18Å; D344-H346 PolarHBondContact OD1-N 3.37Å; H346-H348 PolarHBondContact O-N 2.8Å
347S69.2Low71.7Confident22 Ų2280.5 Ų80.515%0.15444%0.441CS..  trans-68.299.5174.256.60000110.8D344 H349 A378D344-S347 WeakPolarHBondContact CB-OG 3.21Å; D344-S347 PolarHBondContact O-OG 3.24Å; D344-S347 PolarHBondContact OD1-N 2.79Å; D344-S347 PolarHBondContact OD1-OG 3.15Å; S347-H349 PolarHBondContact O-N 2.96Å; S347-A378 WeakPolarHBondContact OG-CB 3.27Å
348H58.3Low69.9Low134 Ų13481.7 Ų81.762%0.6244%0.443SS*.  trans-7329.2177.2-65.6-64.9000114.4H346 W350 E351H346-H348 PolarHBondContact O-N 2.8Å; H348-W350 PolarHBondContact O-N 3.23Å; H348-E351 PolarHBondContact O-N 3.15Å
349H55.4Low68.1Low171 Ų17184.9 Ų84.979%0.79246%0.464SS*.THydrogen-bonded Turntrans-64.76.7177.4-63.5-56.9000114S347 E351S347-H349 PolarHBondContact O-N 2.96Å; H349-E351 VanDerWaalsContact C-N 3.27Å; H349-E351 PolarHBondContact O-N 3.26Å
350W56.8Low66.1Low174 Ų17490.7 Ų90.766%0.65949%0.491SS*.THydrogen-bonded Turntrans-76.4-10176.784.5-88.7000113.4H348 A352H348-W350 PolarHBondContact O-N 3.23Å; W350-A352 PolarHBondContact O-N 3.12Å
351E46.8Very low64.2Low151 Ų15192.8 Ų92.871%0.70650%0.503SS*.SBendtrans-72.9111.7179.4-72.1-170.1170.100113.2H348 H349H348-E351 PolarHBondContact O-N 3.15Å; H349-E351 VanDerWaalsContact C-N 3.27Å; H349-E351 PolarHBondContact O-N 3.26Å
352A45.3Very low62.5Low94 Ų9497.7 Ų97.778%0.77752%0.522SS*.  trans68.6107164.900000118.9W350W350-A352 PolarHBondContact O-N 3.12Å
353P53.5Low61.2Low83 Ų83100.2 Ų100.254%0.53953%0.53SS..  trans-86151.2176.831-29.3000113.6
354P49.4Very low60.7Low115 Ų115100.5 Ų100.575%0.74753%0.532SS*.  trans-64.2144.3165.2-12.826.5000111.3E356P354-E356 VanDerWaalsContact C-N 3.27Å; P354-E356 PolarHBondContact O-N 3.45Å; P354-E356 VanDerWaalsContact O-N 3.11Å
355A53Low60.6Low109 Ų10998.7 Ų98.790%0.90152%0.522SS*.THydrogen-bonded Turntrans-71.4-2.8-166.800000116.7
356E50.2Low60.6Low191 Ų19197 Ų9789%0.89351%0.512SS*.THydrogen-bonded Turntrans-125.614.5-160.1-64-172.3167.100116.6P354P354-E356 VanDerWaalsContact C-N 3.27Å; P354-E356 PolarHBondContact O-N 3.45Å; P354-E356 VanDerWaalsContact O-N 3.11Å
357A52.2Low61.1Low58 Ų5893 Ų9348%0.47949%0.494SS..  trans-93.8132.3178.900000113.5
358D51.8Low62.2Low75 Ų7594 Ų9440%0.40150%0.496SS..  trans-52.9118.5172.3176.12.9000111.1E360 K361 R362D358-E360 PolarHBondContact O-N 3.29Å; D358-E360 VanDerWaalsContact O-N 3.1Å; D358-E360 PolarHBondContact OD1-N 2.91Å; D358-K361 HydrophobicContact CB-CB 4.47Å; D358-K361 PolarHBondContact O-N 2.72Å; D358-K361 VanDerWaalsContact O-N 3.09Å; D358-R362 WeakPolarHBondContact O-CB 3.43Å; D358-R362 PolarHBondContact O-N 3.44Å
359P51.7Low64Low86 Ų8687.6 Ų87.656%0.55847%0.466SS*.Hα-helixtrans-53.6-30.2179.9-23.131.9000114.1R362P359-R362 WeakPolarHBondContact O-CB 3.37Å; P359-R362 PolarHBondContact O-N 3.14Å
360E49.2Very low65.9Low122 Ų12279.4 Ų79.457%0.5743%0.429SS*.Hα-helixtrans-71.3-33.4-179-60-147.3120.500112.9R273 D358R273-E360 VanDerWaalsContact NH1-CG 3.3Å; R273-E360 IonicContact NH1-OE1 3.01Å; R273-E360 PolarHBondContact NH1-OE1 2.87Å; D358-E360 PolarHBondContact O-N 3.29Å; D358-E360 VanDerWaalsContact O-N 3.1Å; D358-E360 PolarHBondContact OD1-N 2.91Å
361K53.2Low67.6Low155 Ų15573.4 Ų73.467%0.67441%0.406SS*.Hα-helixtrans-87.8-11.2174.4-66.7179.8-178.41750112.9D358D358-K361 HydrophobicContact CB-CB 4.47Å; D358-K361 PolarHBondContact O-N 2.72Å; D358-K361 VanDerWaalsContact O-N 3.09Å
362R61.1Low69.8Low104 Ų10467.7 Ų67.739%0.39238%0.381SS..Hα-helixtrans-74.9-38-169.3-163.7178.7169.8165.3-7.3113.8D358 P359D358-R362 WeakPolarHBondContact O-CB 3.43Å; D358-R362 PolarHBondContact O-N 3.44Å; P359-R362 WeakPolarHBondContact O-CB 3.37Å; P359-R362 PolarHBondContact O-N 3.14Å
363F67.3Low72.2Confident82 Ų8264.8 Ų64.836%0.3635%0.351SS..SBendtrans-145.7113.6-179.6-58.1-66.3000111.4S365 M368F363-S365 PolarHBondContact O-N 2.92Å; F363-M368 HydrophobicContact CB-CG 3.91Å; F363-M368 HydrophobicContact CB-SD 3.69Å; F363-M368 HydrophobicContact CD2-SD 4.42Å; F363-M368 HydrophobicContact CG-SD 4.01Å
364P83.9Confident74.1Confident5 Ų561.5 Ų61.53%0.03233%0.328CS..  trans-53.6137.1173.2-24.733.6000111.3L366 E367 M368 W381 P386 F387 Y388P364-L366 PolarHBondContact O-N 2.82Å; P364-L366 VanDerWaalsContact O-N 3.12Å; P364-E367 HydrophobicContact CB-CG 4.16Å; P364-E367 WeakPolarHBondContact CD-OE1 3.33Å; P364-E367 HydrophobicContact CG-CG 4.23Å; P364-E367 WeakPolarHBondContact CG-OE1 2.99Å; P364-E367 WeakPolarHBondContact O-CB 3.2Å; P364-E367 PolarHBondContact O-N 3.32Å; P364-M368 PolarHBondContact O-N 3.37Å; P364-W381 HydrophobicContact CB-CZ2 3.89Å; P364-W381 HydrophobicContact CG-CZ2 4.26Å; P364-P386 HydrophobicContact CB-CB 3.89Å; P364-P386 HydrophobicContact CG-CB 3.42Å; P364-P386 VanDerWaalsContact CG-CB 3.42Å; P364-P386 HydrophobicContact CG-CG 4.21Å; P364-F387 WeakPolarHBondContact CB-O 3.48Å; P364-Y388 HydrophobicContact CG-CE1 4.07Å
365S90.3Very high76Confident1 Ų163.2 Ų63.21%0.00733%0.331CS..Hα-helixtrans-61-28.4-175-59.50000112.7N301 F363 T369 Y388N301-S365 PolarHBondContact ND2-OG 3.06Å; F363-S365 PolarHBondContact O-N 2.92Å; S365-T369 PolarHBondContact O-N 3.28Å; S365-T369 PolarHBondContact O-OG1 3.18Å; S365-Y388 WeakPolarHBondContact CB-OXT 3.49Å; S365-Y388 PolarHBondContact OG-OXT 3.02Å
366L92.1Very high77.5Confident2 Ų259.3 Ų59.31%0.0130%0.302CS..Hα-helixtrans-65.4-40.4173.1-178.459.1000112.6I300 Y328 L341 P364 M368 T369 I370 W381 F387I300-L366 HydrophobicContact CD1-CB 4.31Å; I300-L366 HydrophobicContact CD1-CD1 3.67Å; Y328-L366 HydrophobicContact CD1-CD2 4.06Å; Y328-L366 HydrophobicContact CD2-CD1 3.64Å; Y328-L366 HydrophobicContact CD2-CD2 3.42Å; Y328-L366 VanDerWaalsContact CD2-CD2 3.42Å; Y328-L366 HydrophobicContact CD2-CG 4.21Å; Y328-L366 HydrophobicContact CE1-CD2 4.39Å; Y328-L366 HydrophobicContact CE2-CD1 3.67Å; Y328-L366 HydrophobicContact CE2-CD2 3.77Å; Y328-L366 HydrophobicContact CE2-CG 4.33Å; Y328-L366 HydrophobicContact CG-CD2 3.55Å; L341-L366 HydrophobicContact CD1-CD2 3.84Å; L341-L366 HydrophobicContact CD1-CG 4.4Å; P364-L366 PolarHBondContact O-N 2.82Å; P364-L366 VanDerWaalsContact O-N 3.12Å; L366-M368 VanDerWaalsContact C-N 3.35Å; L366-M368 PolarHBondContact O-N 3.16Å; L366-T369 WeakPolarHBondContact O-CB 3.48Å; L366-T369 PolarHBondContact O-N 3.34Å; L366-I370 HydrophobicContact CG-CD1 4.26Å; L366-I370 WeakPolarHBondContact O-CG1 3.32Å; L366-I370 PolarHBondContact O-N 3.46Å; L366-W381 HydrophobicContact CB-CH2 4.07Å; L366-W381 HydrophobicContact CB-CZ2 4.37Å; L366-W381 HydrophobicContact CD2-CH2 3.59Å; L366-W381 HydrophobicContact CD2-CZ2 4.39Å; L366-W381 HydrophobicContact CD2-CZ3 4.16Å; L366-W381 HydrophobicContact CG-CH2 4.29Å; L366-F387 HydrophobicContact CD2-CD2 4.32Å
367E92.6Very high79.4Confident20 Ų2050.3 Ų50.39%0.09326%0.259CS..Hα-helixtrans-63.1-44.3177.1-70.8-174.2-155.100111.4P364 T369 I370 R371 I379 W381P364-E367 HydrophobicContact CB-CG 4.16Å; P364-E367 WeakPolarHBondContact CD-OE1 3.33Å; P364-E367 HydrophobicContact CG-CG 4.23Å; P364-E367 WeakPolarHBondContact CG-OE1 2.99Å; P364-E367 WeakPolarHBondContact O-CB 3.2Å; P364-E367 PolarHBondContact O-N 3.32Å; E367-T369 PolarHBondContact O-N 3.27Å; E367-I370 WeakPolarHBondContact O-CB 3.35Å; E367-I370 PolarHBondContact O-N 3.07Å; E367-I370 VanDerWaalsContact O-N 3.13Å; E367-R371 WeakPolarHBondContact O-CG 3.34Å; E367-R371 PolarHBondContact O-N 2.83Å; E367-R371 IonicContact OE2-CZ 3.34Å; E367-R371 IonicContact OE2-NH1 2.96Å; E367-R371 PolarHBondContact OE2-NH1 2.81Å; E367-R371 IonicContact OE2-NH2 3.43Å; E367-R371 PolarHBondContact OE2-NH2 3.19Å; E367-I379 HydrophobicContact CB-CD1 3.61Å; E367-I379 HydrophobicContact CG-CB 4.05Å; E367-I379 HydrophobicContact CG-CD1 3.65Å; E367-I379 HydrophobicContact CG-CG1 4.45Å; E367-I379 HydrophobicContact CG-CG2 4.05Å; E367-W381 HydrophobicContact CG-CZ2 4.13Å; E367-W381 PolarHBondContact OE1-NE1 2.97Å
368M92.5Very high81.3Confident41 Ų4149 Ų4920%0.20225%0.249CC..Hα-helixtrans-62-37.1176.7-62.5-53.2-62.900111.7W271 F363 P364 L366 R371 T372W271-M368 HydrophobicContact CD2-CB 3.58Å; W271-M368 HydrophobicContact CE3-CB 4.1Å; W271-M368 HydrophobicContact CG-CB 3.99Å; W271-M368 HydrophobicContact CH2-CB 4.16Å; W271-M368 HydrophobicContact CH2-CE 3.5Å; W271-M368 VanDerWaalsContact CH2-CE 3.5Å; W271-M368 HydrophobicContact CZ2-CB 3.66Å; W271-M368 HydrophobicContact CZ2-CE 3.73Å; W271-M368 HydrophobicContact CZ2-CG 3.9Å; W271-M368 HydrophobicContact CZ3-CB 4.37Å; W271-M368 HydrophobicContact CZ3-CE 4.18Å; F363-M368 HydrophobicContact CB-CG 3.91Å; F363-M368 HydrophobicContact CB-SD 3.69Å; F363-M368 HydrophobicContact CD2-SD 4.42Å; F363-M368 HydrophobicContact CG-SD 4.01Å; P364-M368 PolarHBondContact O-N 3.37Å; L366-M368 VanDerWaalsContact C-N 3.35Å; L366-M368 PolarHBondContact O-N 3.16Å; M368-R371 PolarHBondContact O-N 3.44Å; M368-T372 WeakPolarHBondContact O-CG2 3.25Å; M368-T372 PolarHBondContact O-N 2.99Å; M368-T372 VanDerWaalsContact O-N 3.12Å
369T94.8Very high83.2Confident0 Ų046.5 Ų46.50%024%0.235CC..Hα-helixtrans-60.8-45.6173.2-52.70000111.8L269 W271 C298 I300 S365 L366 E367 R371 T372L269-T369 HydrophobicContact CB-CG2 3.61Å; L269-T369 HydrophobicContact CD1-CG2 4.38Å; W271-T369 HydrophobicContact CB-CG2 4.43Å; W271-T369 WeakPolarHBondContact CB-OG1 3.48Å; C298-T369 HydrophobicContact CB-CG2 4.14Å; I300-T369 HydrophobicContact CD1-CG2 4.44Å; I300-T369 HydrophobicContact CG1-CG2 4.22Å; I300-T369 WeakPolarHBondContact CG1-OG1 3.47Å; S365-T369 PolarHBondContact O-N 3.28Å; S365-T369 PolarHBondContact O-OG1 3.18Å; L366-T369 WeakPolarHBondContact O-CB 3.48Å; L366-T369 PolarHBondContact O-N 3.34Å; E367-T369 PolarHBondContact O-N 3.27Å; T369-R371 VanDerWaalsContact C-N 3.33Å; T369-R371 PolarHBondContact O-N 2.92Å; T369-T372 WeakPolarHBondContact O-CB 3.34Å; T369-T372 PolarHBondContact O-N 3.34Å; T369-T372 PolarHBondContact O-OG1 3.04Å
370I95.2Very high85Confident0 Ų046.8 Ų46.80%023%0.232CC..Hα-helixtrans-61.1-43.3176.4-69.2169000110.4L307 L326 L341 V343 L366 E367 T372 K373 W374 I379L307-I370 HydrophobicContact CD2-CD1 4.26Å; L307-I370 HydrophobicContact CD2-CG1 3.77Å; L326-I370 HydrophobicContact CD1-CD1 4.3Å; L326-I370 HydrophobicContact CD1-CG1 4.44Å; L341-I370 HydrophobicContact CD1-CD1 3.61Å; V343-I370 HydrophobicContact CG1-CG2 4.37Å; V343-I370 HydrophobicContact CG2-CG2 4.34Å; L366-I370 HydrophobicContact CG-CD1 4.26Å; L366-I370 WeakPolarHBondContact O-CG1 3.32Å; L366-I370 PolarHBondContact O-N 3.46Å; E367-I370 WeakPolarHBondContact O-CB 3.35Å; E367-I370 PolarHBondContact O-N 3.07Å; E367-I370 VanDerWaalsContact O-N 3.13Å; I370-T372 PolarHBondContact O-N 2.92Å; I370-K373 PolarHBondContact O-N 2.94Å; I370-W374 HydrophobicContact CG2-CE3 3.66Å; I370-W374 HydrophobicContact CG2-CZ3 4.13Å; I370-W374 PolarHBondContact O-N 3.44Å; I370-I379 HydrophobicContact CB-CD1 3.86Å; I370-I379 HydrophobicContact CD1-CD1 4.04Å; I370-I379 HydrophobicContact CG2-CD1 3.77Å; I370-I379 HydrophobicContact CG2-CG1 4.42Å
371R92.9Very high87Confident47 Ų4741.8 Ų41.818%0.17721%0.208CC..Hα-helixtrans-65.6-21.3179.2-69.7176.4-173.2128.29.7113.9E367 M368 T369 K373 W374 D375 A377E367-R371 WeakPolarHBondContact O-CG 3.34Å; E367-R371 PolarHBondContact O-N 2.83Å; E367-R371 IonicContact OE2-CZ 3.34Å; E367-R371 IonicContact OE2-NH1 2.96Å; E367-R371 PolarHBondContact OE2-NH1 2.81Å; E367-R371 IonicContact OE2-NH2 3.43Å; E367-R371 PolarHBondContact OE2-NH2 3.19Å; M368-R371 PolarHBondContact O-N 3.44Å; T369-R371 VanDerWaalsContact C-N 3.33Å; T369-R371 PolarHBondContact O-N 2.92Å; R371-K373 PolarHBondContact O-N 3.16Å; R371-K373 VanDerWaalsContact O-N 3.15Å; R371-W374 WeakPolarHBondContact CA-O 3.46Å; R371-D375 WeakPolarHBondContact O-CA 3.4Å; R371-D375 PolarHBondContact O-N 3.02Å; R371-A377 PolarHBondContact NE-O 3.11Å; R371-A377 VanDerWaalsContact NE-O 3.15Å
372T93.6Very high88.7Confident31 Ų3137 Ų3719%0.1919%0.19CC..THydrogen-bonded Turntrans-61.7-21.4169.872.60000113W271 K289 M368 T369 I370W271-T372 HydrophobicContact CE3-CG2 3.81Å; W271-T372 HydrophobicContact CZ3-CG2 4.44Å; K289-T372 WeakPolarHBondContact CE-O 3.41Å; K289-T372 PolarHBondContact NZ-O 2.86Å; M368-T372 WeakPolarHBondContact O-CG2 3.25Å; M368-T372 PolarHBondContact O-N 2.99Å; M368-T372 VanDerWaalsContact O-N 3.12Å; T369-T372 WeakPolarHBondContact O-CB 3.34Å; T369-T372 PolarHBondContact O-N 3.34Å; T369-T372 PolarHBondContact O-OG1 3.04Å; I370-T372 PolarHBondContact O-N 2.92Å
373K94.6Very high89.6Confident34 Ų3436 Ų3615%0.14821%0.212CC..THydrogen-bonded Turntrans-105-49176.1177.3177.9167.162.60112.5L269 K289 T290 W296 I370 R371L269-K373 HydrophobicContact CD2-CB 3.89Å; L269-K373 HydrophobicContact CD2-CD 4.36Å; K289-K373 WeakPolarHBondContact O-CD 3.31Å; K289-K373 WeakPolarHBondContact O-CE 3.11Å; K289-K373 PolarHBondContact O-NZ 2.86Å; T290-K373 VanDerWaalsContact CG2-NZ 3.34Å; W296-K373 HydrophobicContact CZ2-CD 4.05Å; I370-K373 PolarHBondContact O-N 2.94Å; R371-K373 PolarHBondContact O-N 3.16Å; R371-K373 VanDerWaalsContact O-N 3.15Å
374W93.4Very high90.4Very high14 Ų1434.2 Ų34.25%0.05321%0.208CC..SBendtrans-109.983.2-180-62.5-77.2000108.9W296 L314 L315 E321 F324 L326 T345 I370 R371 A377W296-W374 AromaticContact CH2-CH2 3.79Å; W296-W374 HydrophobicContact CH2-CH2 3.79Å; W296-W374 HydrophobicContact CH2-CZ2 4.2Å; W296-W374 HydrophobicContact CZ2-CH2 4.04Å; W296-W374 HydrophobicContact CZ2-CZ2 4.37Å; W296-W374 HydrophobicContact CZ3-CH2 4.23Å; L314-W374 HydrophobicContact CD2-CZ2 4.29Å; L315-W374 HydrophobicContact CD2-CZ2 4.24Å; E321-W374 PolarHBondContact OE2-NE1 3.38Å; F324-W374 HydrophobicContact CE1-CZ2 4.47Å; F324-W374 HydrophobicContact CE2-CD2 4.49Å; F324-W374 AromaticContact CE2-CH2 3.82Å; F324-W374 HydrophobicContact CE2-CH2 3.82Å; F324-W374 AromaticContact CE2-CZ2 3.69Å; F324-W374 HydrophobicContact CE2-CZ2 3.69Å; F324-W374 HydrophobicContact CE2-CZ3 4.31Å; F324-W374 AromaticContact CZ-CD2 3.72Å; F324-W374 HydrophobicContact CZ-CD2 3.72Å; F324-W374 AromaticContact CZ-CE2 3.35Å; F324-W374 HydrophobicContact CZ-CE3 4.19Å; F324-W374 HydrophobicContact CZ-CG 4.2Å; F324-W374 AromaticContact CZ-CH2 3.97Å; F324-W374 HydrophobicContact CZ-CH2 3.97Å; F324-W374 AromaticContact CZ-CZ2 3.48Å; F324-W374 HydrophobicContact CZ-CZ2 3.48Å; F324-W374 VanDerWaalsContact CZ-CZ2 3.48Å; F324-W374 HydrophobicContact CZ-CZ3 4.31Å; F324-W374 AromaticContact CZ-NE1 3.74Å; L326-W374 HydrophobicContact CD1-CH2 3.93Å; L326-W374 HydrophobicContact CD1-CZ3 3.65Å; L326-W374 HydrophobicContact CD2-CH2 4.25Å; T345-W374 HydrophobicContact CG2-CB 4Å; T345-W374 HydrophobicContact CG2-CG 4.13Å; I370-W374 HydrophobicContact CG2-CE3 3.66Å; I370-W374 HydrophobicContact CG2-CZ3 4.13Å; I370-W374 PolarHBondContact O-N 3.44Å; R371-W374 WeakPolarHBondContact CA-O 3.46Å; W374-A377 HydrophobicContact CB-CB 3.97Å; W374-A377 VanDerWaalsContact O-CB 3.27Å; W374-A377 WeakPolarHBondContact O-CB 3.35Å; W374-A377 PolarHBondContact O-N 3.48Å
375D89.8Confident90.1Very high150 Ų15040.6 Ų40.680%0.80224%0.241SC*.THydrogen-bonded Turntrans-58.8139.6-175.7-170.530.4000111.3R371 A377R371-D375 WeakPolarHBondContact O-CA 3.4Å; R371-D375 PolarHBondContact O-N 3.02Å; D375-A377 PolarHBondContact O-N 3.25Å; D375-A377 VanDerWaalsContact O-N 3.16Å
376G85.3Confident89.4Confident28 Ų2842.5 Ų42.529%0.28925%0.254SS..THydrogen-bonded Turntrans68.42.8-178.300000116.7
377A90.9Very high88.3Confident1 Ų145.3 Ų45.31%0.00827%0.266CS..  trans-63.6137.5-176.100000113.5V343 D344 T345 R371 W374 D375V343-A377 HydrophobicContact CG1-CB 3.77Å; D344-A377 CarbonylContact O-C 3.55Å; D344-A377 VanDerWaalsContact O-CA 3.27Å; D344-A377 WeakPolarHBondContact O-CA 3.48Å; T345-A377 HydrophobicContact CG2-CB 4.25Å; R371-A377 PolarHBondContact NE-O 3.11Å; R371-A377 VanDerWaalsContact NE-O 3.15Å; W374-A377 HydrophobicContact CB-CB 3.97Å; W374-A377 VanDerWaalsContact O-CB 3.27Å; W374-A377 WeakPolarHBondContact O-CB 3.35Å; W374-A377 PolarHBondContact O-N 3.48Å; D375-A377 PolarHBondContact O-N 3.25Å; D375-A377 VanDerWaalsContact O-N 3.16Å
378A90.3Very high86.7Confident32 Ų3251.7 Ų51.726%0.26429%0.29SS..EExtended strand (participates in β ladder)trans-82.9140.7167.100000109.8V343 D344 S347V343-A378 WeakPolarHBondContact CA-O 3.41Å; D344-A378 PolarHBondContact N-O 3.11Å; D344-A378 PolarHBondContact O-N 3.08Å; S347-A378 WeakPolarHBondContact OG-CB 3.27Å
379I91.7Very high86.4Confident22 Ų2252.2 Ų52.211%0.11330%0.295CS..EExtended strand (participates in β ladder)trans-130.7119.2-172.4-60.2165.4000108.3L341 T342 E367 I370L341-I379 HydrophobicContact CB-CG2 4.34Å; L341-I379 HydrophobicContact CD1-CG2 4.46Å; L341-I379 HydrophobicContact CD2-CG2 4.45Å; T342-I379 WeakPolarHBondContact O-CA 3.28Å; E367-I379 HydrophobicContact CB-CD1 3.61Å; E367-I379 HydrophobicContact CG-CB 4.05Å; E367-I379 HydrophobicContact CG-CD1 3.65Å; E367-I379 HydrophobicContact CG-CG1 4.45Å; E367-I379 HydrophobicContact CG-CG2 4.05Å; I370-I379 HydrophobicContact CB-CD1 3.86Å; I370-I379 HydrophobicContact CD1-CD1 4.04Å; I370-I379 HydrophobicContact CG2-CD1 3.77Å; I370-I379 HydrophobicContact CG2-CG1 4.42Å
380D91Very high85.9Confident91 Ų9154.9 Ų54.949%0.48731%0.31SS..EExtended strand (participates in β ladder)trans-104.4125173.3-179.71.5000109.5L341 T342 N382L341-D380 CarbonylContact C-O 3.15Å; L341-D380 WeakPolarHBondContact CA-O 3.26Å; T342-D380 PolarHBondContact N-O 2.97Å; T342-D380 PolarHBondContact O-N 2.94Å; D380-N382 PolarHBondContact O-N 3.45Å; D380-N382 PolarHBondContact O-ND2 3.39Å; D380-N382 PolarHBondContact OD1-N 2.82Å
381W90.4Very high85.4Confident18 Ų1858 Ų587%0.06833%0.328CS..  trans-80-0.3179.3-69.580.9000113.8L341 P364 L366 E367 G383 T384 P386 F387L341-W381 HydrophobicContact CD2-CB 4.38Å; L341-W381 HydrophobicContact CD2-CD2 3.51Å; L341-W381 HydrophobicContact CD2-CE3 3.36Å; L341-W381 HydrophobicContact CD2-CG 4Å; L341-W381 HydrophobicContact CD2-CH2 4.31Å; L341-W381 HydrophobicContact CD2-CZ2 4.44Å; L341-W381 HydrophobicContact CD2-CZ3 3.78Å; P364-W381 HydrophobicContact CB-CZ2 3.89Å; P364-W381 HydrophobicContact CG-CZ2 4.26Å; L366-W381 HydrophobicContact CB-CH2 4.07Å; L366-W381 HydrophobicContact CB-CZ2 4.37Å; L366-W381 HydrophobicContact CD2-CH2 3.59Å; L366-W381 HydrophobicContact CD2-CZ2 4.39Å; L366-W381 HydrophobicContact CD2-CZ3 4.16Å; L366-W381 HydrophobicContact CG-CH2 4.29Å; E367-W381 HydrophobicContact CG-CZ2 4.13Å; E367-W381 PolarHBondContact OE1-NE1 2.97Å; W381-G383 PolarHBondContact O-N 3.38Å; W381-G383 VanDerWaalsContact O-N 3.16Å; W381-T384 WeakPolarHBondContact CB-O 3.39Å; W381-T384 VanDerWaalsContact O-CB 3.32Å; W381-T384 WeakPolarHBondContact O-CB 2.94Å; W381-T384 PolarHBondContact O-N 2.98Å; W381-T384 PolarHBondContact O-OG1 3.31Å; W381-T384 VanDerWaalsContact O-OG1 3.11Å; W381-P386 HydrophobicContact CD2-CB 4.04Å; W381-P386 HydrophobicContact CD2-CG 4.12Å; W381-P386 HydrophobicContact CE3-CB 4.46Å; W381-P386 HydrophobicContact CG-CG 4.16Å; W381-P386 HydrophobicContact CH2-CB 4.22Å; W381-P386 HydrophobicContact CZ2-CB 3.75Å; W381-F387 HydrophobicContact CH2-CB 4.14Å; W381-F387 AromaticContact CH2-CD2 3.77Å; W381-F387 HydrophobicContact CH2-CD2 3.77Å; W381-F387 HydrophobicContact CH2-CG 4.39Å; W381-F387 AromaticContact CZ3-CD2 3.47Å; W381-F387 HydrophobicContact CZ3-CD2 3.47Å; W381-F387 VanDerWaalsContact CZ3-CD2 3.47Å; W381-F387 AromaticContact CZ3-CE2 3.97Å; W381-F387 HydrophobicContact CZ3-CE2 3.97Å; W381-F387 HydrophobicContact CZ3-CG 4.36Å
382N89.5Confident85Confident53 Ų5358.6 Ų58.628%0.28334%0.336SS..THydrogen-bonded Turntrans51.638.2178.2-60.3-70.8000113R340 T342 D380R340-N382 PolarHBondContact O-ND2 2.84Å; T342-N382 PolarHBondContact N-ND2 3.19Å; T342-N382 PolarHBondContact OG1-ND2 3.24Å; T342-N382 PolarHBondContact OG1-OD1 2.84Å; T342-N382 VanDerWaalsContact OG1-OD1 3.09Å; D380-N382 PolarHBondContact O-N 3.45Å; D380-N382 PolarHBondContact O-ND2 3.39Å; D380-N382 PolarHBondContact OD1-N 2.82Å
383G80.1Confident84.4Confident83 Ų8360.4 Ų60.486%0.85635%0.346SS*.THydrogen-bonded Turntrans82.67.8-178.200000115.7W381W381-G383 PolarHBondContact O-N 3.38Å; W381-G383 VanDerWaalsContact O-N 3.16Å
384T82.8Confident83.8Confident45 Ų4562.1 Ų62.128%0.27636%0.359SS..PPolyproline II helixtrans-87.6142.5170.3-46.20000110.2A339 W381A339-T384 HydrophobicContact CB-CG2 3.99Å; W381-T384 WeakPolarHBondContact CB-O 3.39Å; W381-T384 VanDerWaalsContact O-CB 3.32Å; W381-T384 WeakPolarHBondContact O-CB 2.94Å; W381-T384 PolarHBondContact O-N 2.98Å; W381-T384 PolarHBondContact O-OG1 3.31Å; W381-T384 VanDerWaalsContact O-OG1 3.11Å
385D78.9Confident83.1Confident139 Ų13965.6 Ų65.674%0.74338%0.381SS*.PPolyproline II helixtrans-65.3134.4174.7-69.9-44.3000111.5
386P74.9Confident82.6Confident41 Ų4159.1 Ų59.127%0.26635%0.348SS..PPolyproline II helixtrans-63.4141.4178.5-22.832.5000114P364 W381 Y388P364-P386 HydrophobicContact CB-CB 3.89Å; P364-P386 HydrophobicContact CG-CB 3.42Å; P364-P386 VanDerWaalsContact CG-CB 3.42Å; P364-P386 HydrophobicContact CG-CG 4.21Å; W381-P386 HydrophobicContact CD2-CB 4.04Å; W381-P386 HydrophobicContact CD2-CG 4.12Å; W381-P386 HydrophobicContact CE3-CB 4.46Å; W381-P386 HydrophobicContact CG-CG 4.16Å; W381-P386 HydrophobicContact CH2-CB 4.22Å; W381-P386 HydrophobicContact CZ2-CB 3.75Å; P386-Y388 HydrophobicContact CB-CD2 4.4Å; P386-Y388 HydrophobicContact CB-CE2 3.87Å; P386-Y388 HydrophobicContact CG-CE2 4.4Å; P386-Y388 WeakPolarHBondContact O-CD2 3.24Å; P386-Y388 PolarHBondContact O-N 3.25Å
387F68.1Low82.3Confident61 Ų6161.7 Ų61.727%0.26835%0.353SS..  trans-84.1107.3169.8-62.1-73.6000110.1Y328 A339 P364 L366 W381Y328-F387 AromaticContact CD1-CD2 3.53Å; Y328-F387 HydrophobicContact CD1-CD2 3.53Å; Y328-F387 AromaticContact CD1-CE2 3.34Å; Y328-F387 HydrophobicContact CD1-CE2 3.34Å; Y328-F387 HydrophobicContact CD1-CG 4.48Å; Y328-F387 HydrophobicContact CD1-CZ 4.13Å; Y328-F387 HydrophobicContact CE1-CD1 4.34Å; Y328-F387 AromaticContact CE1-CD2 3.33Å; Y328-F387 HydrophobicContact CE1-CD2 3.33Å; Y328-F387 HydrophobicContact CE1-CE1 4.38Å; Y328-F387 AromaticContact CE1-CE2 3.43Å; Y328-F387 HydrophobicContact CE1-CE2 3.43Å; Y328-F387 VanDerWaalsContact CE1-CE2 3.43Å; Y328-F387 AromaticContact CE1-CG 3.86Å; Y328-F387 HydrophobicContact CE1-CG 3.86Å; Y328-F387 AromaticContact CE1-CZ 3.98Å; Y328-F387 HydrophobicContact CE1-CZ 3.98Å; A339-F387 HydrophobicContact CB-CE2 3.78Å; A339-F387 HydrophobicContact CB-CZ 4.49Å; P364-F387 WeakPolarHBondContact CB-O 3.48Å; L366-F387 HydrophobicContact CD2-CD2 4.32Å; W381-F387 HydrophobicContact CH2-CB 4.14Å; W381-F387 AromaticContact CH2-CD2 3.77Å; W381-F387 HydrophobicContact CH2-CD2 3.77Å; W381-F387 HydrophobicContact CH2-CG 4.39Å; W381-F387 AromaticContact CZ3-CD2 3.47Å; W381-F387 HydrophobicContact CZ3-CD2 3.47Å; W381-F387 VanDerWaalsContact CZ3-CD2 3.47Å; W381-F387 AromaticContact CZ3-CE2 3.97Å; W381-F387 HydrophobicContact CZ3-CE2 3.97Å; W381-F387 HydrophobicContact CZ3-CG 4.36Å
388Y59.4Low81.6Confident154 Ų15467.2 Ų67.260%0.60438%0.384SS*.  trans-80.50177.7-72.6-85.4000113P364 S365 P386P364-Y388 HydrophobicContact CG-CE1 4.07Å; S365-Y388 WeakPolarHBondContact CB-OXT 3.49Å; S365-Y388 PolarHBondContact OG-OXT 3.02Å; P386-Y388 HydrophobicContact CB-CD2 4.4Å; P386-Y388 HydrophobicContact CB-CE2 3.87Å; P386-Y388 HydrophobicContact CG-CE2 4.4Å; P386-Y388 WeakPolarHBondContact O-CD2 3.24Å; P386-Y388 PolarHBondContact O-N 3.25Å

Retrieved 388 of 388 residues in 886.6 ms (Link to these results)

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