A0A096NFR7_PAPAN Loading...

Plastin-3

Actin-bundling protein.

AlphaFold DB (A0A2K5UV90), UniProt , Accession A0A096NFR7, Species PAPAN (Papio anubis, Olive baboon), Gene PLS3, Length 639 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
1M38.9Very low44.9Very low227 Ų227141.3 Ų141.3100%1.11875%0.752SS**  0101.40-92.6168.258.800106
2D29.1Very low46Very low170 Ų170139.5 Ų139.591%0.90974%0.743SS**  trans-142.6108.5149.4-103.2-25000105
3E31Very low47.5Very low184 Ų184136.1 Ų136.186%0.8672%0.72SS**  trans-69.5124.2-179.1-72.4170.9137.100109A5E3-A5 PolarHBondContact O-N 2.94Å; E3-A5 VanDerWaalsContact O-N 3.14Å
4M35Very low49.2Very low176 Ų176130.4 Ų130.487%0.86769%0.689SS**  trans-64.2111.9161.9-72178.280.700107.6T6M4-T6 PolarHBondContact O-N 3.34Å
5A33.4Very low50.6Low100 Ų100125.8 Ų125.883%0.82667%0.666SS**  trans-57.8101.3169.200000108.9E3 T7E3-A5 PolarHBondContact O-N 2.94Å; E3-A5 VanDerWaalsContact O-N 3.14Å; A5-T7 PolarHBondContact O-N 3.48Å
6T33.7Very low51.8Low128 Ų128126.3 Ų126.379%0.78566%0.663SS**  trans-78.3105.7175.38.60000107.4M4 Q8M4-T6 PolarHBondContact O-N 3.34Å; T6-Q8 PolarHBondContact O-N 2.89Å; T6-Q8 VanDerWaalsContact O-N 3.08Å
7T44.4Very low53.1Low107 Ų107119.9 Ų119.966%0.65663%0.63SS**  trans-59.2108.9164.612.70000108.2A5 I9A5-T7 PolarHBondContact O-N 3.48Å; T7-I9 PolarHBondContact O-N 3.19Å
8Q50.6Low54.4Low193 Ų193118.4 Ų118.490%0.90262%0.617SS**  trans-62105.9177.1-80.3173.4-16.800109.9T6T6-Q8 PolarHBondContact O-N 2.89Å; T6-Q8 VanDerWaalsContact O-N 3.08Å
9I62.3Low55.5Low54 Ų54118.5 Ų118.528%0.27761%0.614SS.*  trans-77.9128.3167.3-53179.2000107.1T7 E13 L14 V78T7-I9 PolarHBondContact O-N 3.19Å; I9-E13 HydrophobicContact CG2-CB 3.74Å; I9-L14 HydrophobicContact CD1-CD1 4.3Å; I9-L14 HydrophobicContact CG2-CB 3.95Å; I9-L14 HydrophobicContact CG2-CD1 4.37Å; I9-V78 HydrophobicContact CD1-CG1 3.6Å
10S70.8Confident56.3Low52 Ų52113.2 Ų113.236%0.36459%0.588SS.*  trans-66.5154.2171.866.20000110.6D12 E13 L14S10-D12 PolarHBondContact O-N 2.92Å; S10-E13 PolarHBondContact N-OE2 2.88Å; S10-E13 VanDerWaalsContact N-OE2 3.08Å; S10-E13 PolarHBondContact O-N 3.3Å; S10-E13 WeakPolarHBondContact OG-CB 3.31Å; S10-E13 WeakPolarHBondContact OG-CG 3.34Å; S10-E13 PolarHBondContact OG-N 3.44Å; S10-E13 PolarHBondContact OG-OE2 3.27Å; S10-L14 PolarHBondContact O-N 3.05Å
11K64.3Low57.5Low163 Ų163108.5 Ų108.571%0.70956%0.563SS**Hα-helixtrans-58.9-36.3-179.8-168.3177.5176.4-173.80111.8L14 D15K11-L14 PolarHBondContact O-N 3Å; K11-D15 PolarHBondContact O-N 3.13Å; K11-D15 VanDerWaalsContact O-N 3.1Å
12D58.4Low59.3Low120 Ų120100.9 Ų100.964%0.64254%0.536SS*.Hα-helixtrans-68.8-44.3179.6-56.6-23000111.5S10 L14 D15 E16S10-D12 PolarHBondContact O-N 2.92Å; D12-L14 VanDerWaalsContact C-N 3.3Å; D12-L14 PolarHBondContact O-N 2.65Å; D12-D15 PolarHBondContact O-N 3.49Å; D12-E16 WeakPolarHBondContact O-CG 3.38Å; D12-E16 PolarHBondContact O-N 3.45Å
13E66.1Low61.4Low95 Ų9595.7 Ų95.744%0.44451%0.506SS..Hα-helixtrans-63.3-34.9174.3-76.1170.5140.900112.5I9 S10 D15 L17I9-E13 HydrophobicContact CG2-CB 3.74Å; S10-E13 PolarHBondContact N-OE2 2.88Å; S10-E13 VanDerWaalsContact N-OE2 3.08Å; S10-E13 PolarHBondContact O-N 3.3Å; S10-E13 WeakPolarHBondContact OG-CB 3.31Å; S10-E13 WeakPolarHBondContact OG-CG 3.34Å; S10-E13 PolarHBondContact OG-N 3.44Å; S10-E13 PolarHBondContact OG-OE2 3.27Å; E13-D15 VanDerWaalsContact C-N 3.34Å; E13-L17 WeakPolarHBondContact O-CB 3.08Å; E13-L17 WeakPolarHBondContact O-CG 3.26Å; E13-L17 PolarHBondContact O-N 2.95Å
14L71.2Confident63.7Low56 Ų5687 Ų8729%0.29347%0.465SS..Hα-helixtrans-68.7-36.7177.5-17070.8000111.4I9 S10 K11 D12 L17 K18 F74I9-L14 HydrophobicContact CD1-CD1 4.3Å; I9-L14 HydrophobicContact CG2-CB 3.95Å; I9-L14 HydrophobicContact CG2-CD1 4.37Å; S10-L14 PolarHBondContact O-N 3.05Å; K11-L14 PolarHBondContact O-N 3Å; D12-L14 VanDerWaalsContact C-N 3.3Å; D12-L14 PolarHBondContact O-N 2.65Å; L14-L17 PolarHBondContact O-N 3.41Å; L14-K18 WeakPolarHBondContact O-CG 3.11Å; L14-K18 PolarHBondContact O-N 2.58Å; L14-K18 VanDerWaalsContact O-N 3.11Å; L14-F74 HydrophobicContact CD1-CE1 4.33Å; L14-F74 HydrophobicContact CD1-CZ 4.27Å
15D69.4Low65.8Low62 Ų6279 Ų7933%0.33243%0.426SS..Hα-helixtrans-74.1-37.4178.3-69.7-21.6000111.2K11 D12 E13 L17 K18 E19K11-D15 PolarHBondContact O-N 3.13Å; K11-D15 VanDerWaalsContact O-N 3.1Å; D12-D15 PolarHBondContact O-N 3.49Å; E13-D15 VanDerWaalsContact C-N 3.34Å; D15-L17 VanDerWaalsContact C-N 3.33Å; D15-L17 PolarHBondContact O-N 2.69Å; D15-K18 PolarHBondContact O-N 2.87Å; D15-K18 IonicContact OD1-NZ 2.84Å; D15-K18 PolarHBondContact OD1-NZ 3.41Å; D15-E19 PolarHBondContact O-N 2.9Å
16E70.3Confident67.8Low133 Ų13377 Ų7762%0.62140%0.401SS*.Hα-helixtrans-58.5-42.1168.8-74.4-179.7-175.500112.4D12 E19 A20D12-E16 WeakPolarHBondContact O-CG 3.38Å; D12-E16 PolarHBondContact O-N 3.45Å; E16-E19 PolarHBondContact O-N 3.45Å; E16-A20 WeakPolarHBondContact O-CB 3.43Å; E16-A20 PolarHBondContact O-N 2.78Å
17L73.9Confident69.7Low19 Ų1975.1 Ų75.110%0.09939%0.386CS..Hα-helixtrans-67.3-35.1178.2-73.9171.2000112.5E13 L14 D15 A20 F21 F74 F77 V78 F81E13-L17 WeakPolarHBondContact O-CB 3.08Å; E13-L17 WeakPolarHBondContact O-CG 3.26Å; E13-L17 PolarHBondContact O-N 2.95Å; L14-L17 PolarHBondContact O-N 3.41Å; D15-L17 VanDerWaalsContact C-N 3.33Å; D15-L17 PolarHBondContact O-N 2.69Å; L17-A20 PolarHBondContact O-N 3.34Å; L17-F21 WeakPolarHBondContact O-CB 3.43Å; L17-F21 PolarHBondContact O-N 3.28Å; L17-F74 HydrophobicContact CB-CE2 4.43Å; L17-F74 HydrophobicContact CB-CZ 4.48Å; L17-F77 HydrophobicContact CD2-CE1 4.29Å; L17-F77 WeakPolarHBondContact O-CE1 3.41Å; L17-V78 HydrophobicContact CD1-CG1 4.24Å; L17-V78 HydrophobicContact CD1-CG2 4.19Å; L17-F81 HydrophobicContact CD2-CB 3.65Å; L17-F81 HydrophobicContact CD2-CD1 3.26Å; L17-F81 HydrophobicContact CD2-CD2 4.11Å; L17-F81 HydrophobicContact CD2-CE1 3.81Å; L17-F81 HydrophobicContact CD2-CG 3.41Å; L17-F81 VanDerWaalsContact CD2-CG 3.41Å; L17-F81 HydrophobicContact CD2-CZ 4.44Å
18K77.3Confident71.5Confident93 Ų9375 Ų7540%0.40439%0.389SS..Hα-helixtrans-66.5-42.7174-73.6171.7-166.1153.50111.7L14 D15 F21 A22 F74L14-K18 WeakPolarHBondContact O-CG 3.11Å; L14-K18 PolarHBondContact O-N 2.58Å; L14-K18 VanDerWaalsContact O-N 3.11Å; D15-K18 PolarHBondContact O-N 2.87Å; D15-K18 IonicContact OD1-NZ 2.84Å; D15-K18 PolarHBondContact OD1-NZ 3.41Å; K18-F21 PolarHBondContact O-N 3.06Å; K18-A22 WeakPolarHBondContact O-CB 3.4Å; K18-A22 PolarHBondContact O-N 3.04Å; K18-F74 HydrophobicContact CB-CE2 4.25Å; K18-F74 HydrophobicContact CB-CZ 4.43Å; K18-F74 HydrophobicContact CG-CE1 4.23Å; K18-F74 HydrophobicContact CG-CE2 3.64Å; K18-F74 HydrophobicContact CG-CZ 3.41Å; K18-F74 VanDerWaalsContact CG-CZ 3.41Å
19E74.3Confident72.8Confident120 Ų12069.1 Ų69.156%0.56136%0.364SS*.Hα-helixtrans-63.3-43.7175.3-72.3-174.5-179.600111.3D15 E16 F21 A22 K23D15-E19 PolarHBondContact O-N 2.9Å; E16-E19 PolarHBondContact O-N 3.45Å; E19-F21 PolarHBondContact O-N 3.27Å; E19-A22 PolarHBondContact O-N 3.12Å; E19-K23 VanDerWaalsContact O-CG 3.24Å; E19-K23 WeakPolarHBondContact O-CG 3.43Å; E19-K23 PolarHBondContact O-N 3.35Å; E19-K23 VanDerWaalsContact O-N 3.09Å
20A72.5Confident73.8Confident11 Ų1168.1 Ų68.19%0.09137%0.368CS..Hα-helixtrans-61.2-42.3175.300000112.4E16 L17 K23 V24 F77 I97E16-A20 WeakPolarHBondContact O-CB 3.43Å; E16-A20 PolarHBondContact O-N 2.78Å; L17-A20 PolarHBondContact O-N 3.34Å; A20-K23 PolarHBondContact O-N 2.89Å; A20-V24 WeakPolarHBondContact O-CG2 3.5Å; A20-V24 PolarHBondContact O-N 3.36Å; A20-F77 HydrophobicContact CB-CE1 4.06Å; A20-F77 HydrophobicContact CB-CZ 3.95Å; A20-I97 HydrophobicContact CB-CG2 3.97Å
21F79.9Confident74.5Confident16 Ų1669.4 Ų69.47%0.0737%0.367CS..Hα-helixtrans-63.6-48177.2-173.9-95.8000111.7L17 K18 E19 K23 V24 D25 G30 I32 F74 F77L17-F21 WeakPolarHBondContact O-CB 3.43Å; L17-F21 PolarHBondContact O-N 3.28Å; K18-F21 PolarHBondContact O-N 3.06Å; E19-F21 PolarHBondContact O-N 3.27Å; F21-K23 PolarHBondContact O-N 2.73Å; F21-V24 PolarHBondContact O-N 3.46Å; F21-D25 HydrophobicContact CE1-CB 4.35Å; F21-D25 PolarHBondContact O-N 3.49Å; F21-G30 VanDerWaalsContact CZ-O 3.31Å; F21-G30 WeakPolarHBondContact CZ-O 3.41Å; F21-I32 HydrophobicContact CD2-CD1 3.45Å; F21-I32 VanDerWaalsContact CD2-CD1 3.45Å; F21-I32 HydrophobicContact CD2-CG1 4.19Å; F21-I32 HydrophobicContact CE2-CD1 3.48Å; F21-I32 VanDerWaalsContact CE2-CD1 3.48Å; F21-I32 HydrophobicContact CE2-CG1 3.8Å; F21-I32 HydrophobicContact CG-CD1 4.27Å; F21-I32 HydrophobicContact CZ-CD1 4.3Å; F21-I32 HydrophobicContact CZ-CG1 4.17Å; F21-F74 HydrophobicContact CB-CD2 3.79Å; F21-F74 HydrophobicContact CB-CE2 4.11Å; F21-F74 HydrophobicContact CD1-CB 4.48Å; F21-F74 HydrophobicContact CD1-CD2 4.07Å; F21-F74 HydrophobicContact CD2-CB 4.43Å; F21-F74 HydrophobicContact CD2-CD2 4Å; F21-F74 HydrophobicContact CE1-CB 4.3Å; F21-F74 HydrophobicContact CE2-CB 4.24Å; F21-F74 AromaticContact CG-CD2 3.69Å; F21-F74 HydrophobicContact CG-CD2 3.69Å; F21-F74 HydrophobicContact CG-CE2 4.49Å; F21-F74 HydrophobicContact CZ-CB 4.17Å; F21-F77 HydrophobicContact CB-CD1 4Å; F21-F77 HydrophobicContact CB-CE1 3.91Å; F21-F77 HydrophobicContact CB-CZ 4.33Å; F21-F77 HydrophobicContact CD2-CB 3.55Å; F21-F77 AromaticContact CD2-CD1 3.8Å; F21-F77 HydrophobicContact CD2-CD1 3.8Å; F21-F77 AromaticContact CD2-CD2 3.86Å; F21-F77 HydrophobicContact CD2-CD2 3.86Å; F21-F77 HydrophobicContact CD2-CE1 4.38Å; F21-F77 HydrophobicContact CD2-CE2 4.42Å; F21-F77 AromaticContact CD2-CG 3.5Å; F21-F77 HydrophobicContact CD2-CG 3.5Å; F21-F77 VanDerWaalsContact CD2-CG 3.5Å; F21-F77 HydrophobicContact CE2-CB 3.83Å; F21-F77 HydrophobicContact CE2-CG 4.22Å; F21-F77 HydrophobicContact CG-CD1 4.4Å; F21-F77 HydrophobicContact CG-CG 4.48Å
22A78.1Confident75.5Confident66 Ų6661.6 Ų61.655%0.54533%0.333SS..Hα-helixtrans-62.2-28178.500000113.2K18 E19 V24K18-A22 WeakPolarHBondContact O-CB 3.4Å; K18-A22 PolarHBondContact O-N 3.04Å; E19-A22 PolarHBondContact O-N 3.12Å; A22-V24 VanDerWaalsContact C-N 3.33Å
23K72.5Confident76.6Confident62 Ų6257.5 Ų57.527%0.2731%0.313SS..Hα-helixtrans-71.3-26.2174.9-74.1167.3-178.3173.30113.2E19 A20 F21 K100 E101E19-K23 VanDerWaalsContact O-CG 3.24Å; E19-K23 WeakPolarHBondContact O-CG 3.43Å; E19-K23 PolarHBondContact O-N 3.35Å; E19-K23 VanDerWaalsContact O-N 3.09Å; A20-K23 PolarHBondContact O-N 2.89Å; F21-K23 PolarHBondContact O-N 2.73Å; K23-K100 WeakPolarHBondContact O-CE 3.33Å; K23-K100 PolarHBondContact O-NZ 3.2Å; K23-E101 IonicContact NZ-OE1 3.58Å; K23-E101 PolarHBondContact NZ-OE1 3.27Å
24V78.6Confident77.1Confident0 Ų057.1 Ų57.10%031%0.314CS..Hα-helixtrans-94.4-35.1-179-174.40000111A20 F21 A22 L26 I32 E36 L37 L40 I97A20-V24 WeakPolarHBondContact O-CG2 3.5Å; A20-V24 PolarHBondContact O-N 3.36Å; F21-V24 PolarHBondContact O-N 3.46Å; A22-V24 VanDerWaalsContact C-N 3.33Å; V24-L26 VanDerWaalsContact C-N 3.35Å; V24-L26 PolarHBondContact O-N 3.32Å; V24-I32 HydrophobicContact CB-CD1 3.72Å; V24-I32 HydrophobicContact CB-CG1 4.09Å; V24-I32 HydrophobicContact CG1-CB 4.39Å; V24-I32 HydrophobicContact CG1-CD1 3.76Å; V24-I32 HydrophobicContact CG1-CG1 3.9Å; V24-I32 HydrophobicContact CG1-CG2 3.6Å; V24-E36 WeakPolarHBondContact O-CB 3.24Å; V24-L37 HydrophobicContact CG1-CD2 4.2Å; V24-L40 HydrophobicContact CG1-CD2 4.28Å; V24-L40 HydrophobicContact CG2-CD1 4.28Å; V24-L40 HydrophobicContact CG2-CD2 3.93Å; V24-I97 HydrophobicContact CG2-CD1 4.11Å; V24-I97 HydrophobicContact CG2-CG1 3.96Å
25D80.9Confident77.5Confident10 Ų1060 Ų605%0.05332%0.322CS..  trans-72.782.6173.8-179.67.3000111.3F21 N27 S28 N29 G30 I32F21-D25 HydrophobicContact CE1-CB 4.35Å; F21-D25 PolarHBondContact O-N 3.49Å; D25-N27 VanDerWaalsContact C-N 3.25Å; D25-N27 PolarHBondContact O-N 3.31Å; D25-N27 PolarHBondContact OD1-OD1 2.94Å; D25-N27 VanDerWaalsContact OD1-OD1 3.1Å; D25-S28 VanDerWaalsContact CG-CA 3.49Å; D25-S28 PolarHBondContact O-N 3.5Å; D25-S28 VanDerWaalsContact OD1-CA 3.31Å; D25-S28 WeakPolarHBondContact OD1-CA 3.35Å; D25-S28 PolarHBondContact OD1-N 3.15Å; D25-S28 VanDerWaalsContact OD2-CA 3.3Å; D25-S28 WeakPolarHBondContact OD2-CA 3.44Å; D25-N29 PolarHBondContact OD1-N 3.5Å; D25-N29 VanDerWaalsContact OD1-N 3.08Å; D25-N29 PolarHBondContact OD2-N 3.5Å; D25-G30 WeakPolarHBondContact OD2-CA 3.39Å; D25-G30 PolarHBondContact OD2-N 3.24Å; D25-I32 HydrophobicContact CB-CG1 4.35Å
26L74.4Confident78Confident57 Ų5757.2 Ų57.230%0.29831%0.307SS..THydrogen-bonded Turntrans-64.9-28.6-172.7-67.3179.2000113.1V24 E36 E39V24-L26 VanDerWaalsContact C-N 3.35Å; V24-L26 PolarHBondContact O-N 3.32Å; L26-E36 HydrophobicContact CB-CG 4.13Å; L26-E36 HydrophobicContact CD1-CG 4.14Å; L26-E36 HydrophobicContact CG-CG 4.09Å; L26-E36 PolarHBondContact N-OE1 3.25Å; L26-E36 VanDerWaalsContact N-OE1 3.13Å; L26-E39 HydrophobicContact CD1-CB 4.08Å; L26-E39 HydrophobicContact CD1-CG 4.48Å
27N74.3Confident78.4Confident88 Ų8850.9 Ų50.947%0.47128%0.277SS..THydrogen-bonded Turntrans-101.91.5-178.563.145.7000113D25 N29 E36D25-N27 VanDerWaalsContact C-N 3.25Å; D25-N27 PolarHBondContact O-N 3.31Å; D25-N27 PolarHBondContact OD1-OD1 2.94Å; D25-N27 VanDerWaalsContact OD1-OD1 3.1Å; N27-N29 PolarHBondContact ND2-ND2 3.02Å; N27-N29 PolarHBondContact O-N 3.05Å; N27-N29 WeakPolarHBondContact OD1-CB 3.35Å; N27-N29 PolarHBondContact OD1-N 3.37Å; N27-N29 PolarHBondContact OD1-ND2 2.88Å; N27-E36 PolarHBondContact N-OE1 3.16Å; N27-E36 PolarHBondContact ND2-OE1 3.04Å
28S82Confident78.5Confident104 Ų10453 Ų5373%0.72729%0.286SS*.  trans55.733.1178.6-55.70000113.6D25 G30D25-S28 VanDerWaalsContact CG-CA 3.49Å; D25-S28 PolarHBondContact O-N 3.5Å; D25-S28 VanDerWaalsContact OD1-CA 3.31Å; D25-S28 WeakPolarHBondContact OD1-CA 3.35Å; D25-S28 PolarHBondContact OD1-N 3.15Å; D25-S28 VanDerWaalsContact OD2-CA 3.3Å; D25-S28 WeakPolarHBondContact OD2-CA 3.44Å; S28-G30 VanDerWaalsContact C-N 3.29Å
29N77.4Confident78.4Confident70 Ų7049.3 Ų49.337%0.37427%0.271SS..SBendtrans-84.8-3.4-179.275.128.9000113.3D25 N27 F31D25-N29 PolarHBondContact OD1-N 3.5Å; D25-N29 VanDerWaalsContact OD1-N 3.08Å; D25-N29 PolarHBondContact OD2-N 3.5Å; N27-N29 PolarHBondContact ND2-ND2 3.02Å; N27-N29 PolarHBondContact O-N 3.05Å; N27-N29 WeakPolarHBondContact OD1-CB 3.35Å; N27-N29 PolarHBondContact OD1-N 3.37Å; N27-N29 PolarHBondContact OD1-ND2 2.88Å; N29-F31 WeakPolarHBondContact O-CD2 3.34Å; N29-F31 WeakPolarHBondContact OD1-CA 3.43Å; N29-F31 VanDerWaalsContact OD1-CB 3.3Å; N29-F31 WeakPolarHBondContact OD1-CB 3.23Å; N29-F31 PolarHBondContact OD1-N 2.81Å; N29-F31 PolarHBondContact OD1-O 3.11Å
30G82.7Confident78.6Confident34 Ų3443.6 Ų43.635%0.35124%0.244SC..SBendtrans878.1-178.500000114.6F21 D25 S28F21-G30 VanDerWaalsContact CZ-O 3.31Å; F21-G30 WeakPolarHBondContact CZ-O 3.41Å; D25-G30 WeakPolarHBondContact OD2-CA 3.39Å; D25-G30 PolarHBondContact OD2-N 3.24Å; S28-G30 VanDerWaalsContact C-N 3.29Å
31F86.6Confident78.6Confident78 Ų7843.4 Ų43.434%0.34224%0.241SC..EExtended strand (participates in β ladder)trans-141.9143.4-178.5-55.9-92.1000111.1N29 K71 I72N29-F31 WeakPolarHBondContact O-CD2 3.34Å; N29-F31 WeakPolarHBondContact OD1-CA 3.43Å; N29-F31 VanDerWaalsContact OD1-CB 3.3Å; N29-F31 WeakPolarHBondContact OD1-CB 3.23Å; N29-F31 PolarHBondContact OD1-N 2.81Å; N29-F31 PolarHBondContact OD1-O 3.11Å; F31-K71 HydrophobicContact CB-CB 4.08Å; F31-K71 HydrophobicContact CB-CD 3.96Å; F31-K71 HydrophobicContact CD1-CB 4.43Å; F31-K71 HydrophobicContact CG-CD 4.3Å; F31-I72 WeakPolarHBondContact CA-O 3.18Å
32I84.4Confident78Confident0 Ų047.7 Ų47.70%026%0.26CS..EExtended strand (participates in β ladder)trans-100.8129.2174.9-64.4164.1000109.6F21 V24 D25 E36 L37 K71 I72 F77F21-I32 HydrophobicContact CD2-CD1 3.45Å; F21-I32 VanDerWaalsContact CD2-CD1 3.45Å; F21-I32 HydrophobicContact CD2-CG1 4.19Å; F21-I32 HydrophobicContact CE2-CD1 3.48Å; F21-I32 VanDerWaalsContact CE2-CD1 3.48Å; F21-I32 HydrophobicContact CE2-CG1 3.8Å; F21-I32 HydrophobicContact CG-CD1 4.27Å; F21-I32 HydrophobicContact CZ-CD1 4.3Å; F21-I32 HydrophobicContact CZ-CG1 4.17Å; V24-I32 HydrophobicContact CB-CD1 3.72Å; V24-I32 HydrophobicContact CB-CG1 4.09Å; V24-I32 HydrophobicContact CG1-CB 4.39Å; V24-I32 HydrophobicContact CG1-CD1 3.76Å; V24-I32 HydrophobicContact CG1-CG1 3.9Å; V24-I32 HydrophobicContact CG1-CG2 3.6Å; D25-I32 HydrophobicContact CB-CG1 4.35Å; I32-E36 WeakPolarHBondContact CA-OE2 3.35Å; I32-E36 HydrophobicContact CG2-CB 4.29Å; I32-L37 HydrophobicContact CG2-CD1 4.42Å; I32-L37 HydrophobicContact CG2-CD2 3.7Å; I32-L37 HydrophobicContact CG2-CG 3.7Å; I32-K71 CarbonylContact O-C 3.58Å; I32-K71 WeakPolarHBondContact O-CA 3.45Å; I32-I72 HydrophobicContact CB-CB 4.24Å; I32-I72 PolarHBondContact N-O 3.21Å; I32-I72 PolarHBondContact O-N 3.09Å; I32-F77 HydrophobicContact CD1-CD2 3.61Å; I32-F77 HydrophobicContact CD1-CE2 3.82Å; I32-F77 HydrophobicContact CD1-CG 4.45Å
33C81.8Confident77.3Confident33 Ų3345.4 Ų45.422%0.22324%0.238CC..  trans-109169.8175.969.30000113.7Y35 E36 L37C33-Y35 PolarHBondContact O-N 3.11Å; C33-E36 PolarHBondContact N-OE2 3.23Å; C33-E36 PolarHBondContact O-N 3.17Å; C33-E36 PolarHBondContact SG-OE2 3.06Å; C33-L37 PolarHBondContact O-N 2.82Å; C33-L37 VanDerWaalsContact O-N 3.09Å
34D77.4Confident76.9Confident88 Ų8842.5 Ų42.547%0.47123%0.226SC..Hα-helixtrans-52.2-39.7179-178.881000113L37 H38 I57D34-L37 PolarHBondContact O-N 3.19Å; D34-H38 WeakPolarHBondContact O-CB 3.46Å; D34-H38 PolarHBondContact O-N 2.83Å; D34-I57 WeakPolarHBondContact OD1-CG2 3.49Å
35Y77.8Confident75.8Confident117 Ų11748.5 Ų48.546%0.45926%0.258SS..Hα-helixtrans-63.2-44.8176.9173.2-100000112.6C33 L37 H38 E39C33-Y35 PolarHBondContact O-N 3.11Å; Y35-L37 VanDerWaalsContact C-N 3.34Å; Y35-L37 PolarHBondContact O-N 3.42Å; Y35-H38 WeakPolarHBondContact O-CB 3.45Å; Y35-H38 PolarHBondContact O-N 3.22Å; Y35-H38 VanDerWaalsContact O-N 3.13Å; Y35-E39 HydrophobicContact CE1-CG 4.02Å; Y35-E39 HydrophobicContact CE2-CG 4.01Å; Y35-E39 PolarHBondContact O-N 2.85Å
36E80.5Confident74.8Confident2 Ų249.2 Ų49.21%0.00926%0.261CS..Hα-helixtrans-67.6-34.8-179.8-75.7164.4149.100112.1V24 L26 N27 I32 C33 L40V24-E36 WeakPolarHBondContact O-CB 3.24Å; L26-E36 HydrophobicContact CB-CG 4.13Å; L26-E36 HydrophobicContact CD1-CG 4.14Å; L26-E36 HydrophobicContact CG-CG 4.09Å; L26-E36 PolarHBondContact N-OE1 3.25Å; L26-E36 VanDerWaalsContact N-OE1 3.13Å; N27-E36 PolarHBondContact N-OE1 3.16Å; N27-E36 PolarHBondContact ND2-OE1 3.04Å; I32-E36 WeakPolarHBondContact CA-OE2 3.35Å; I32-E36 HydrophobicContact CG2-CB 4.29Å; C33-E36 PolarHBondContact N-OE2 3.23Å; C33-E36 PolarHBondContact O-N 3.17Å; C33-E36 PolarHBondContact SG-OE2 3.06Å; E36-L40 WeakPolarHBondContact O-CB 3.41Å; E36-L40 PolarHBondContact O-N 3.09Å
37L79.6Confident73.6Confident0 Ų051.4 Ų51.40%028%0.279CS..Hα-helixtrans-66.1-39.4170.4-65.8174.2000111.6V24 I32 C33 D34 Y35 L40 F41 I57 M61 I72 F93V24-L37 HydrophobicContact CG1-CD2 4.2Å; I32-L37 HydrophobicContact CG2-CD1 4.42Å; I32-L37 HydrophobicContact CG2-CD2 3.7Å; I32-L37 HydrophobicContact CG2-CG 3.7Å; C33-L37 PolarHBondContact O-N 2.82Å; C33-L37 VanDerWaalsContact O-N 3.09Å; D34-L37 PolarHBondContact O-N 3.19Å; Y35-L37 VanDerWaalsContact C-N 3.34Å; Y35-L37 PolarHBondContact O-N 3.42Å; L37-L40 WeakPolarHBondContact O-CB 3.36Å; L37-L40 PolarHBondContact O-N 2.87Å; L37-F41 VanDerWaalsContact O-CD2 3.23Å; L37-F41 WeakPolarHBondContact O-CD2 3.09Å; L37-F41 PolarHBondContact O-N 2.81Å; L37-F41 VanDerWaalsContact O-N 3.11Å; L37-I57 HydrophobicContact CB-CD1 4.4Å; L37-I57 HydrophobicContact CB-CG1 4.1Å; L37-I57 HydrophobicContact CB-CG2 3.95Å; L37-I57 HydrophobicContact CD1-CG2 3.97Å; L37-M61 HydrophobicContact CD1-CG 4.02Å; L37-M61 HydrophobicContact CD1-SD 3.57Å; L37-M61 VanDerWaalsContact CD1-SD 3.57Å; L37-I72 HydrophobicContact CD1-CD1 4.09Å; L37-F93 HydrophobicContact CD2-CD2 4.37Å; L37-F93 HydrophobicContact CD2-CE2 3.35Å; L37-F93 HydrophobicContact CD2-CZ 3.73Å
38H75.9Confident72.8Confident64 Ų6449.7 Ų49.730%0.29627%0.269SS..Hα-helixtrans-66.6-41.8178.2-158.2-71.2000112.1D34 Y35 F41 K42 I57D34-H38 WeakPolarHBondContact O-CB 3.46Å; D34-H38 PolarHBondContact O-N 2.83Å; Y35-H38 WeakPolarHBondContact O-CB 3.45Å; Y35-H38 PolarHBondContact O-N 3.22Å; Y35-H38 VanDerWaalsContact O-N 3.13Å; H38-F41 PolarHBondContact O-N 3.33Å; H38-K42 VanDerWaalsContact O-CB 3.31Å; H38-K42 WeakPolarHBondContact O-CB 3.32Å; H38-K42 PolarHBondContact O-N 3.38Å; H38-K42 VanDerWaalsContact O-N 3.11Å; H38-I57 HydrophobicContact CB-CD1 3.84Å
39E75Confident71.8Confident16 Ų1647.7 Ų47.78%0.07525%0.254CS..Hα-helixtrans-66.7-40174-70.8-57.3119.800111.5L26 Y35 F41 K42 E43L26-E39 HydrophobicContact CD1-CB 4.08Å; L26-E39 HydrophobicContact CD1-CG 4.48Å; Y35-E39 HydrophobicContact CE1-CG 4.02Å; Y35-E39 HydrophobicContact CE2-CG 4.01Å; Y35-E39 PolarHBondContact O-N 2.85Å; E39-F41 PolarHBondContact O-N 2.84Å; E39-K42 VanDerWaalsContact CD-NZ 3.28Å; E39-K42 PolarHBondContact O-N 3.05Å; E39-K42 WeakPolarHBondContact OE1-CD 3.25Å; E39-K42 IonicContact OE1-NZ 2.67Å; E39-K42 PolarHBondContact OE1-NZ 2.73Å; E39-K42 IonicContact OE2-NZ 3.83Å; E39-K42 PolarHBondContact OE2-NZ 3.36Å; E39-E43 WeakPolarHBondContact O-CB 3.32Å; E39-E43 VanDerWaalsContact O-CG 3.28Å; E39-E43 WeakPolarHBondContact O-CG 3.49Å; E39-E43 PolarHBondContact O-N 3.27Å
40L79.1Confident71Confident0 Ų046.4 Ų46.40%026%0.257CS..Hα-helixtrans-54.6-49.4173.4171.770.2000112.6V24 E36 L37 K42 E43 A44 F93 A96 I97 K100V24-L40 HydrophobicContact CG1-CD2 4.28Å; V24-L40 HydrophobicContact CG2-CD1 4.28Å; V24-L40 HydrophobicContact CG2-CD2 3.93Å; E36-L40 WeakPolarHBondContact O-CB 3.41Å; E36-L40 PolarHBondContact O-N 3.09Å; L37-L40 WeakPolarHBondContact O-CB 3.36Å; L37-L40 PolarHBondContact O-N 2.87Å; L40-K42 VanDerWaalsContact C-N 3.33Å; L40-K42 PolarHBondContact O-N 3.15Å; L40-E43 PolarHBondContact O-N 3.36Å; L40-A44 VanDerWaalsContact O-CB 3.25Å; L40-A44 WeakPolarHBondContact O-CB 3.18Å; L40-A44 PolarHBondContact O-N 3.24Å; L40-F93 HydrophobicContact CD2-CD2 3.8Å; L40-F93 HydrophobicContact CD2-CE2 3.36Å; L40-F93 HydrophobicContact CD2-CZ 4.33Å; L40-A96 HydrophobicContact CD1-CB 4.44Å; L40-A96 HydrophobicContact CD2-CB 4.31Å; L40-A96 HydrophobicContact CG-CB 4.08Å; L40-I97 HydrophobicContact CD1-CG1 4.09Å; L40-I97 HydrophobicContact CD2-CG1 3.8Å; L40-K100 HydrophobicContact CD1-CB 4.17Å; L40-K100 HydrophobicContact CD1-CD 3.69Å
41F72.6Confident70.4Confident6 Ų650.6 Ų50.63%0.02626%0.263CS..Hα-helixtrans-70.9-30-178.3-81.6-69.4000113.2L37 H38 E39 M46 V53 I56 I57 L60 T92 F93 A96L37-F41 VanDerWaalsContact O-CD2 3.23Å; L37-F41 WeakPolarHBondContact O-CD2 3.09Å; L37-F41 PolarHBondContact O-N 2.81Å; L37-F41 VanDerWaalsContact O-N 3.11Å; H38-F41 PolarHBondContact O-N 3.33Å; E39-F41 PolarHBondContact O-N 2.84Å; F41-M46 HydrophobicContact CD1-SD 4.16Å; F41-M46 HydrophobicContact CE1-SD 4.24Å; F41-V53 HydrophobicContact CB-CG1 3.61Å; F41-V53 HydrophobicContact CD2-CG1 4.33Å; F41-V53 HydrophobicContact CG-CG1 4.07Å; F41-I56 HydrophobicContact CE1-CG2 4.23Å; F41-I56 HydrophobicContact CE2-CG2 3.83Å; F41-I56 HydrophobicContact CZ-CG2 3.51Å; F41-I57 HydrophobicContact CD2-CD1 4.16Å; F41-I57 HydrophobicContact CD2-CG1 3.85Å; F41-I57 HydrophobicContact CE2-CG1 4.07Å; F41-L60 HydrophobicContact CE2-CD1 3.95Å; F41-L60 HydrophobicContact CZ-CD1 4.15Å; F41-T92 HydrophobicContact CE1-CG2 3.71Å; F41-T92 HydrophobicContact CZ-CG2 4.38Å; F41-F93 AromaticContact CE2-CD2 4Å; F41-F93 HydrophobicContact CE2-CD2 4Å; F41-F93 HydrophobicContact CZ-CB 4.19Å; F41-F93 AromaticContact CZ-CD2 3.88Å; F41-F93 HydrophobicContact CZ-CD2 3.88Å; F41-A96 HydrophobicContact CD1-CB 3.72Å; F41-A96 HydrophobicContact CE1-CB 3.61Å; F41-A96 HydrophobicContact CG-CB 4.49Å; F41-A96 HydrophobicContact CZ-CB 4.33Å
42K66.2Low69.6Low106 Ų10651.2 Ų51.246%0.46127%0.266SS..Hα-helixtrans-69.3-45.9173.5178.2-177.1165.4-1510111.2H38 E39 L40 N45H38-K42 VanDerWaalsContact O-CB 3.31Å; H38-K42 WeakPolarHBondContact O-CB 3.32Å; H38-K42 PolarHBondContact O-N 3.38Å; H38-K42 VanDerWaalsContact O-N 3.11Å; E39-K42 VanDerWaalsContact CD-NZ 3.28Å; E39-K42 PolarHBondContact O-N 3.05Å; E39-K42 WeakPolarHBondContact OE1-CD 3.25Å; E39-K42 IonicContact OE1-NZ 2.67Å; E39-K42 PolarHBondContact OE1-NZ 2.73Å; E39-K42 IonicContact OE2-NZ 3.83Å; E39-K42 PolarHBondContact OE2-NZ 3.36Å; L40-K42 VanDerWaalsContact C-N 3.33Å; L40-K42 PolarHBondContact O-N 3.15Å; K42-N45 PolarHBondContact O-N 3.22Å
43E63.2Low69Low18 Ų1852 Ų528%0.08427%0.27CS..Hα-helixtrans-66.7-37.3177.3-72.7175.8167.500112.2E39 L40 N45 K100 I103E39-E43 WeakPolarHBondContact O-CB 3.32Å; E39-E43 VanDerWaalsContact O-CG 3.28Å; E39-E43 WeakPolarHBondContact O-CG 3.49Å; E39-E43 PolarHBondContact O-N 3.27Å; L40-E43 PolarHBondContact O-N 3.36Å; E43-N45 PolarHBondContact O-N 3.35Å; E43-K100 WeakPolarHBondContact OE2-CD 3.28Å; E43-K100 WeakPolarHBondContact OE2-CE 3.17Å; E43-K100 IonicContact OE2-NZ 3.35Å; E43-K100 PolarHBondContact OE2-NZ 2.84Å; E43-I103 WeakPolarHBondContact O-CD1 3.3Å
44A63.7Low68.6Low2 Ų257.6 Ų57.62%0.01729%0.287CS..THydrogen-bonded Turntrans-67-5.8177.400000114.7L40 M46 A96 R99L40-A44 VanDerWaalsContact O-CB 3.25Å; L40-A44 WeakPolarHBondContact O-CB 3.18Å; L40-A44 PolarHBondContact O-N 3.24Å; A44-M46 HydrophobicContact CB-CG 4.08Å; A44-M46 PolarHBondContact O-N 3.48Å; A44-A96 HydrophobicContact CB-CB 3.68Å; A44-R99 HydrophobicContact CB-CB 4.11Å; A44-R99 WeakPolarHBondContact O-CD 3.47Å; A44-R99 PolarHBondContact O-NH1 3.13Å
45N57.1Low68.5Low126 Ų12658.9 Ų58.967%0.67429%0.29SS*.THydrogen-bonded Turntrans42.648176.8-16121.8000113K42 E43 R99K42-N45 PolarHBondContact O-N 3.22Å; E43-N45 PolarHBondContact O-N 3.35Å; N45-R99 PolarHBondContact O-NH1 2.98Å
46M59.6Low68.4Low24 Ų2454.2 Ų54.212%0.11827%0.273CS..  trans-77.7140.2178.3-64.9-1706500109.5F41 A44 L48 T92 K95 A96F41-M46 HydrophobicContact CD1-SD 4.16Å; F41-M46 HydrophobicContact CE1-SD 4.24Å; A44-M46 HydrophobicContact CB-CG 4.08Å; A44-M46 PolarHBondContact O-N 3.48Å; M46-L48 HydrophobicContact CB-CD1 3.98Å; M46-L48 HydrophobicContact CB-CG 4.04Å; M46-L48 HydrophobicContact CE-CD1 4.02Å; M46-L48 PolarHBondContact O-N 3.05Å; M46-L48 HydrophobicContact SD-CD1 4.33Å; M46-T92 HydrophobicContact CE-CG2 3.7Å; M46-T92 HydrophobicContact SD-CG2 4.06Å; M46-K95 HydrophobicContact CE-CD 3.87Å; M46-K95 HydrophobicContact CE-CG 4.3Å; M46-A96 HydrophobicContact SD-CB 4.03Å
47P48.9Very low68.4Low104 Ų10454.2 Ų54.268%0.67527%0.273SS*.SBendtrans-75.458.7178.833.5-35.8000110.7
48L57.9Low68.4Low51 Ų5160.5 Ų60.527%0.26730%0.302SS..  trans-114.1127-178.8-65.7175.3000108.8M46 V53 I56 T92M46-L48 HydrophobicContact CB-CD1 3.98Å; M46-L48 HydrophobicContact CB-CG 4.04Å; M46-L48 HydrophobicContact CE-CD1 4.02Å; M46-L48 PolarHBondContact O-N 3.05Å; M46-L48 HydrophobicContact SD-CD1 4.33Å; L48-V53 HydrophobicContact CB-CG2 3.88Å; L48-I56 HydrophobicContact CD1-CD1 3.95Å; L48-T92 HydrophobicContact CD1-CG2 3.88Å
49P60.5Low68.4Low62 Ų6262.3 Ų62.340%0.40331%0.309SS..  trans-55140.6169.4-25.234.2000111Y51 K52 V53P49-Y51 HydrophobicContact CB-CD1 3.51Å; P49-Y51 HydrophobicContact CB-CE1 3.28Å; P49-Y51 HydrophobicContact CG-CE1 3.88Å; P49-Y51 PolarHBondContact O-N 3Å; P49-K52 WeakPolarHBondContact O-CB 3.47Å; P49-K52 PolarHBondContact O-N 3.19Å; P49-V53 PolarHBondContact O-N 3.35Å
50G60.4Low68.5Low43 Ų4361.8 Ų61.844%0.44331%0.307SS..Hα-helixtrans-57-24.1-17500000115.3R54G50-R54 PolarHBondContact O-N 3.13Å
51Y71.2Confident68.5Low123 Ų12363 Ų6348%0.48231%0.313SS..Hα-helixtrans-69.3-37.1172.576-92.7000112.6P49 V53 R54 E55P49-Y51 HydrophobicContact CB-CD1 3.51Å; P49-Y51 HydrophobicContact CB-CE1 3.28Å; P49-Y51 HydrophobicContact CG-CE1 3.88Å; P49-Y51 PolarHBondContact O-N 3Å; Y51-V53 VanDerWaalsContact C-N 3.35Å; Y51-R54 PolarHBondContact O-N 3.46Å; Y51-E55 WeakPolarHBondContact O-CG 3.37Å; Y51-E55 PolarHBondContact O-N 3.45Å
52K68.8Low68.8Low91 Ų9169 Ų6940%0.39635%0.345SS..Hα-helixtrans-67.8-37.1176.1-69-161.6178.1-177.60111.6P49 R54 E55 I56P49-K52 WeakPolarHBondContact O-CB 3.47Å; P49-K52 PolarHBondContact O-N 3.19Å; K52-R54 VanDerWaalsContact C-N 3.34Å; K52-E55 PolarHBondContact O-N 3.13Å; K52-I56 WeakPolarHBondContact O-CB 3.43Å; K52-I56 WeakPolarHBondContact O-CD1 3.42Å; K52-I56 WeakPolarHBondContact O-CG1 3.17Å; K52-I56 PolarHBondContact O-N 3.28Å
53V71.1Confident69.2Low16 Ų1667.3 Ų67.310%0.09734%0.34CS..Hα-helixtrans-60.6-46.5175176.40000110.2F41 L48 P49 Y51 E55 I56 I57F41-V53 HydrophobicContact CB-CG1 3.61Å; F41-V53 HydrophobicContact CD2-CG1 4.33Å; F41-V53 HydrophobicContact CG-CG1 4.07Å; L48-V53 HydrophobicContact CB-CG2 3.88Å; P49-V53 PolarHBondContact O-N 3.35Å; Y51-V53 VanDerWaalsContact C-N 3.35Å; V53-E55 PolarHBondContact O-N 2.91Å; V53-I56 PolarHBondContact O-N 3.01Å; V53-I57 HydrophobicContact CG1-CD1 3.73Å; V53-I57 HydrophobicContact CG1-CG1 4.42Å; V53-I57 VanDerWaalsContact O-CG1 3.27Å; V53-I57 WeakPolarHBondContact O-CG1 3.17Å; V53-I57 PolarHBondContact O-N 3.38Å
54R74.7Confident69.8Low150 Ų15066.4 Ų66.457%0.56634%0.336SS*.Hα-helixtrans-61.7-42.2175.2-72.9-172.5-71.3-111.93.5113.2G50 Y51 K52 I56 I57 Q58G50-R54 PolarHBondContact O-N 3.13Å; Y51-R54 PolarHBondContact O-N 3.46Å; K52-R54 VanDerWaalsContact C-N 3.34Å; R54-I56 VanDerWaalsContact C-N 3.33Å; R54-I56 PolarHBondContact O-N 3.43Å; R54-I57 PolarHBondContact O-N 2.57Å; R54-Q58 VanDerWaalsContact O-CB 3.26Å; R54-Q58 WeakPolarHBondContact O-CB 3.49Å; R54-Q58 PolarHBondContact O-N 2.96Å
55E75.3Confident70.6Confident116 Ų11667.3 Ų67.354%0.54234%0.341SS..Hα-helixtrans-61.2-41.1175.1-76.1175.9177.900112.3Y51 K52 V53 K59Y51-E55 WeakPolarHBondContact O-CG 3.37Å; Y51-E55 PolarHBondContact O-N 3.45Å; K52-E55 PolarHBondContact O-N 3.13Å; V53-E55 PolarHBondContact O-N 2.91Å; E55-K59 VanDerWaalsContact O-CB 3.27Å; E55-K59 WeakPolarHBondContact O-CB 3.35Å; E55-K59 PolarHBondContact O-N 3.35Å
56I75.4Confident71.6Confident19 Ų1968.4 Ų68.410%0.09734%0.335CS..Hα-helixtrans-64.3-47.8177.7-72162.9000110.4F41 L48 K52 V53 R54 K59 L60 I89 T92F41-I56 HydrophobicContact CE1-CG2 4.23Å; F41-I56 HydrophobicContact CE2-CG2 3.83Å; F41-I56 HydrophobicContact CZ-CG2 3.51Å; L48-I56 HydrophobicContact CD1-CD1 3.95Å; K52-I56 WeakPolarHBondContact O-CB 3.43Å; K52-I56 WeakPolarHBondContact O-CD1 3.42Å; K52-I56 WeakPolarHBondContact O-CG1 3.17Å; K52-I56 PolarHBondContact O-N 3.28Å; V53-I56 PolarHBondContact O-N 3.01Å; R54-I56 VanDerWaalsContact C-N 3.33Å; R54-I56 PolarHBondContact O-N 3.43Å; I56-K59 PolarHBondContact O-N 3.18Å; I56-L60 HydrophobicContact CG2-CD1 3.8Å; I56-L60 HydrophobicContact CG2-CG 4.46Å; I56-L60 WeakPolarHBondContact O-CB 3.24Å; I56-L60 VanDerWaalsContact O-CG 3.29Å; I56-L60 WeakPolarHBondContact O-CG 3.4Å; I56-L60 PolarHBondContact O-N 3.19Å; I56-I89 HydrophobicContact CB-CG2 4.49Å; I56-I89 HydrophobicContact CG1-CG1 4.48Å; I56-I89 HydrophobicContact CG2-CG2 3.86Å; I56-T92 HydrophobicContact CD1-CG2 3.83Å
57I79.5Confident72.7Confident1 Ų171.6 Ų71.61%0.00535%0.353CS..Hα-helixtrans-64.2-48.1179.7-65.3166.8000110.5D34 L37 H38 F41 V53 R54 K59 L60 M61D34-I57 WeakPolarHBondContact OD1-CG2 3.49Å; L37-I57 HydrophobicContact CB-CD1 4.4Å; L37-I57 HydrophobicContact CB-CG1 4.1Å; L37-I57 HydrophobicContact CB-CG2 3.95Å; L37-I57 HydrophobicContact CD1-CG2 3.97Å; H38-I57 HydrophobicContact CB-CD1 3.84Å; F41-I57 HydrophobicContact CD2-CD1 4.16Å; F41-I57 HydrophobicContact CD2-CG1 3.85Å; F41-I57 HydrophobicContact CE2-CG1 4.07Å; V53-I57 HydrophobicContact CG1-CD1 3.73Å; V53-I57 HydrophobicContact CG1-CG1 4.42Å; V53-I57 VanDerWaalsContact O-CG1 3.27Å; V53-I57 WeakPolarHBondContact O-CG1 3.17Å; V53-I57 PolarHBondContact O-N 3.38Å; R54-I57 PolarHBondContact O-N 2.57Å; I57-K59 PolarHBondContact O-N 3.14Å; I57-L60 PolarHBondContact O-N 3.03Å; I57-L60 VanDerWaalsContact O-N 3.13Å; I57-M61 HydrophobicContact CG2-CG 4.33Å; I57-M61 WeakPolarHBondContact O-CG 3.4Å; I57-M61 PolarHBondContact O-N 2.99Å
58Q79.8Confident74.2Confident133 Ų13375.4 Ų75.462%0.62136%0.359SS*.Hα-helixtrans-57.8-38.6178.7-173176.726.800111.5R54 L62R54-Q58 VanDerWaalsContact O-CB 3.26Å; R54-Q58 WeakPolarHBondContact O-CB 3.49Å; R54-Q58 PolarHBondContact O-N 2.96Å; Q58-L62 VanDerWaalsContact O-CB 3.22Å; Q58-L62 WeakPolarHBondContact O-CB 3.49Å; Q58-L62 PolarHBondContact O-N 2.89Å
59K77Confident75.3Confident101 Ų10176.6 Ų76.644%0.43937%0.365SS..Hα-helixtrans-75.6-36.2177.6-172.4151.9164.2-166.90113.2E55 I56 I57 M61 L62 D63 I89E55-K59 VanDerWaalsContact O-CB 3.27Å; E55-K59 WeakPolarHBondContact O-CB 3.35Å; E55-K59 PolarHBondContact O-N 3.35Å; I56-K59 PolarHBondContact O-N 3.18Å; I57-K59 PolarHBondContact O-N 3.14Å; K59-M61 VanDerWaalsContact C-N 3.33Å; K59-L62 PolarHBondContact O-N 3.36Å; K59-D63 WeakPolarHBondContact CG-OD2 3.44Å; K59-D63 VanDerWaalsContact O-CB 3.31Å; K59-D63 WeakPolarHBondContact O-CB 3.19Å; K59-D63 VanDerWaalsContact O-CG 3.31Å; K59-D63 PolarHBondContact O-N 3.46Å; K59-I89 HydrophobicContact CB-CD1 4.02Å; K59-I89 HydrophobicContact CD-CD1 3.25Å; K59-I89 HydrophobicContact CG-CD1 3.64Å
60L77.8Confident76.1Confident6 Ų675.7 Ų75.73%0.03137%0.367CS..Hα-helixtrans-62.1-41.8171.7-75.5164.3000111.6F41 I56 I57 G64 I80 I89 F93F41-L60 HydrophobicContact CE2-CD1 3.95Å; F41-L60 HydrophobicContact CZ-CD1 4.15Å; I56-L60 HydrophobicContact CG2-CD1 3.8Å; I56-L60 HydrophobicContact CG2-CG 4.46Å; I56-L60 WeakPolarHBondContact O-CB 3.24Å; I56-L60 VanDerWaalsContact O-CG 3.29Å; I56-L60 WeakPolarHBondContact O-CG 3.4Å; I56-L60 PolarHBondContact O-N 3.19Å; I57-L60 PolarHBondContact O-N 3.03Å; I57-L60 VanDerWaalsContact O-N 3.13Å; L60-G64 VanDerWaalsContact O-CA 3.29Å; L60-G64 WeakPolarHBondContact O-CA 3.23Å; L60-G64 PolarHBondContact O-N 3.32Å; L60-I80 HydrophobicContact CD2-CG2 4.05Å; L60-I89 HydrophobicContact CD1-CG2 4.36Å; L60-I89 HydrophobicContact CD2-CG2 3.92Å; L60-I89 HydrophobicContact CG-CG2 3.74Å; L60-F93 HydrophobicContact CD1-CB 4.02Å; L60-F93 HydrophobicContact CD1-CD2 3.7Å; L60-F93 HydrophobicContact CD1-CE2 4.3Å; L60-F93 HydrophobicContact CD1-CG 3.88Å; L60-F93 HydrophobicContact CD2-CB 4.18Å; L60-F93 HydrophobicContact CD2-CD1 4.21Å; L60-F93 HydrophobicContact CD2-CG 4.13Å
61M78.6Confident77.3Confident25 Ų2577.7 Ų77.712%0.12336%0.364CS..Hα-helixtrans-66-45.5174.4-66.4-62.9-68.200110.6L37 I57 K59 D63 G64 D65 G70 I72L37-M61 HydrophobicContact CD1-CG 4.02Å; L37-M61 HydrophobicContact CD1-SD 3.57Å; L37-M61 VanDerWaalsContact CD1-SD 3.57Å; I57-M61 HydrophobicContact CG2-CG 4.33Å; I57-M61 WeakPolarHBondContact O-CG 3.4Å; I57-M61 PolarHBondContact O-N 2.99Å; K59-M61 VanDerWaalsContact C-N 3.33Å; M61-D63 PolarHBondContact O-N 3.39Å; M61-G64 PolarHBondContact O-N 2.91Å; M61-D65 WeakPolarHBondContact O-CB 3.35Å; M61-D65 PolarHBondContact O-N 3.23Å; M61-G70 WeakPolarHBondContact CE-O 3.5Å; M61-I72 HydrophobicContact SD-CD1 3.64Å; M61-I72 HydrophobicContact SD-CG1 3.93Å
62L77.9Confident78Confident133 Ų13371.9 Ų71.970%0.69634%0.341SS*.Hα-helixtrans-65.9-37-178.6-169.5144000113.7Q58 K59Q58-L62 VanDerWaalsContact O-CB 3.22Å; Q58-L62 WeakPolarHBondContact O-CB 3.49Å; Q58-L62 PolarHBondContact O-N 2.89Å; K59-L62 PolarHBondContact O-N 3.36Å
63D74.4Confident78.9Confident69 Ų6968.7 Ų68.737%0.36933%0.331SS..Hα-helixtrans-87.1-25.4-179.3-66-19.8000112.3K59 M61K59-D63 WeakPolarHBondContact CG-OD2 3.44Å; K59-D63 VanDerWaalsContact O-CB 3.31Å; K59-D63 WeakPolarHBondContact O-CB 3.19Å; K59-D63 VanDerWaalsContact O-CG 3.31Å; K59-D63 PolarHBondContact O-N 3.46Å; M61-D63 PolarHBondContact O-N 3.39Å
64G75.6Confident79.6Confident0 Ų070.4 Ų70.40%034%0.337CS..Hα-helixtrans-99.9-36.5-171.300000115.7L60 M61 R66 E76 I80L60-G64 VanDerWaalsContact O-CA 3.29Å; L60-G64 WeakPolarHBondContact O-CA 3.23Å; L60-G64 PolarHBondContact O-N 3.32Å; M61-G64 PolarHBondContact O-N 2.91Å; G64-R66 PolarHBondContact O-N 3.03Å; G64-R66 VanDerWaalsContact O-N 3.1Å; G64-E76 WeakPolarHBondContact O-CB 3.28Å; G64-I80 VanDerWaalsContact CA-CG1 3.48Å
65D82.1Confident79.9Confident20 Ų2069.4 Ų69.411%0.10734%0.342CS..  trans-80.686.5177.2177.75.2000109.6M61 N67 K68 D69 G70M61-D65 WeakPolarHBondContact O-CB 3.35Å; M61-D65 PolarHBondContact O-N 3.23Å; D65-N67 PolarHBondContact OD1-OD1 3.37Å; D65-K68 WeakPolarHBondContact OD1-CA 3.32Å; D65-K68 PolarHBondContact OD1-N 3.05Å; D65-K68 WeakPolarHBondContact OD2-CA 3.44Å; D65-D69 PolarHBondContact OD1-N 3.28Å; D65-D69 VanDerWaalsContact OD1-N 3.07Å; D65-D69 PolarHBondContact OD2-N 2.88Å; D65-G70 VanDerWaalsContact OD2-CA 3.23Å; D65-G70 WeakPolarHBondContact OD2-CA 3.38Å; D65-G70 PolarHBondContact OD2-N 3.35Å
66R78.2Confident80.4Confident149 Ų14964.5 Ų64.556%0.56232%0.32SS*.SBendtrans-79.1-31-173.8-76.3178.5148.3-154.1-12111.7G64 K68 E76 Y79G64-R66 PolarHBondContact O-N 3.03Å; G64-R66 VanDerWaalsContact O-N 3.1Å; R66-K68 VanDerWaalsContact C-N 3.34Å; R66-E76 PolarHBondContact N-OE1 2.69Å; R66-Y79 VanDerWaalsContact CZ-CE1 3.46Å; R66-Y79 PolarHBondContact NH2-OH 3.43Å
67N81.3Confident80.7Confident91 Ų9163.6 Ų63.649%0.48732%0.315SS..SBendtrans-84.9-10.1179.374.912.8000112.7D65 D69 E76D65-N67 PolarHBondContact OD1-OD1 3.37Å; N67-D69 PolarHBondContact ND2-OD2 2.85Å; N67-D69 VanDerWaalsContact OD1-CB 3.23Å; N67-D69 WeakPolarHBondContact OD1-CB 3.24Å; N67-D69 PolarHBondContact OD1-N 3.47Å; N67-D69 PolarHBondContact OD1-OD1 2.97Å; N67-D69 PolarHBondContact OD1-OD2 3.1Å; N67-E76 PolarHBondContact N-OE1 3.45Å
68K81.1Confident80.8Confident184 Ų18464.2 Ų64.280%0.832%0.319SS*.  trans62.435.2179.5-58.2-175178.5-177.70113.6D65 R66 G70D65-K68 WeakPolarHBondContact OD1-CA 3.32Å; D65-K68 PolarHBondContact OD1-N 3.05Å; D65-K68 WeakPolarHBondContact OD2-CA 3.44Å; R66-K68 VanDerWaalsContact C-N 3.34Å; K68-G70 VanDerWaalsContact C-N 3.3Å
69D80.7Confident80.6Confident76 Ų7660.1 Ų60.141%0.40630%0.298SS..SBendtrans-86.9-1.1178.673.715.9000113.6D65 N67 K71D65-D69 PolarHBondContact OD1-N 3.28Å; D65-D69 VanDerWaalsContact OD1-N 3.07Å; D65-D69 PolarHBondContact OD2-N 2.88Å; N67-D69 PolarHBondContact ND2-OD2 2.85Å; N67-D69 VanDerWaalsContact OD1-CB 3.23Å; N67-D69 WeakPolarHBondContact OD1-CB 3.24Å; N67-D69 PolarHBondContact OD1-N 3.47Å; N67-D69 PolarHBondContact OD1-OD1 2.97Å; N67-D69 PolarHBondContact OD1-OD2 3.1Å; D69-K71 VanDerWaalsContact C-N 3.32Å; D69-K71 WeakPolarHBondContact OD1-CA 3.4Å; D69-K71 WeakPolarHBondContact OD1-CB 3.4Å; D69-K71 PolarHBondContact OD1-N 3.29Å
70G78.1Confident80.5Confident43 Ų4355.5 Ų55.544%0.44328%0.278SS..SBendtrans80.312.7-179.500000113.4M61 D65 K68M61-G70 WeakPolarHBondContact CE-O 3.5Å; D65-G70 VanDerWaalsContact OD2-CA 3.23Å; D65-G70 WeakPolarHBondContact OD2-CA 3.38Å; D65-G70 PolarHBondContact OD2-N 3.35Å; K68-G70 VanDerWaalsContact C-N 3.3Å
71K85.2Confident80.2Confident85 Ų8556.5 Ų56.537%0.3728%0.282SS..SBendtrans-139.9169.9179.7-54.6-176.2-179.4-175.60110.2F31 I32 D69F31-K71 HydrophobicContact CB-CB 4.08Å; F31-K71 HydrophobicContact CB-CD 3.96Å; F31-K71 HydrophobicContact CD1-CB 4.43Å; F31-K71 HydrophobicContact CG-CD 4.3Å; I32-K71 CarbonylContact O-C 3.58Å; I32-K71 WeakPolarHBondContact O-CA 3.45Å; D69-K71 VanDerWaalsContact C-N 3.32Å; D69-K71 WeakPolarHBondContact OD1-CA 3.4Å; D69-K71 WeakPolarHBondContact OD1-CB 3.4Å; D69-K71 PolarHBondContact OD1-N 3.29Å
72I86.1Confident79.9Confident2 Ų257.9 Ų57.91%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-119.5113.4178-62.2168.6000108.1F31 I32 L37 M61 E76 F77 I80F31-I72 WeakPolarHBondContact CA-O 3.18Å; I32-I72 HydrophobicContact CB-CB 4.24Å; I32-I72 PolarHBondContact N-O 3.21Å; I32-I72 PolarHBondContact O-N 3.09Å; L37-I72 HydrophobicContact CD1-CD1 4.09Å; M61-I72 HydrophobicContact SD-CD1 3.64Å; M61-I72 HydrophobicContact SD-CG1 3.93Å; I72-E76 HydrophobicContact CG2-CB 3.96Å; I72-F77 HydrophobicContact CG2-CB 3.97Å; I72-I80 HydrophobicContact CD1-CD1 3.77Å; I72-I80 HydrophobicContact CG1-CD1 4.3Å; I72-I80 HydrophobicContact CG2-CD1 3.76Å
73S86.9Confident79.1Confident24 Ų2457.6 Ų57.617%0.16828%0.283CS..EExtended strand (participates in β ladder)trans-74.5167.7172.163.50000112.3D75 E76 F77S73-D75 VanDerWaalsContact C-N 3.3Å; S73-D75 PolarHBondContact O-N 3.5Å; S73-E76 WeakPolarHBondContact CB-OE2 3.5Å; S73-E76 PolarHBondContact N-OE2 3.24Å; S73-E76 PolarHBondContact O-N 3.09Å; S73-E76 WeakPolarHBondContact OG-CG 3.39Å; S73-E76 PolarHBondContact OG-N 3.29Å; S73-E76 PolarHBondContact OG-OE2 2.84Å; S73-F77 WeakPolarHBondContact O-CB 3.2Å; S73-F77 PolarHBondContact O-N 3.11Å
74F85.3Confident78.1Confident51 Ų5155.3 Ų55.322%0.22427%0.272CS..Hα-helixtrans-58.1-41.1177179.6-106.8000112.7L14 L17 K18 F21 E76 F77 V78L14-F74 HydrophobicContact CD1-CE1 4.33Å; L14-F74 HydrophobicContact CD1-CZ 4.27Å; L17-F74 HydrophobicContact CB-CE2 4.43Å; L17-F74 HydrophobicContact CB-CZ 4.48Å; K18-F74 HydrophobicContact CB-CE2 4.25Å; K18-F74 HydrophobicContact CB-CZ 4.43Å; K18-F74 HydrophobicContact CG-CE1 4.23Å; K18-F74 HydrophobicContact CG-CE2 3.64Å; K18-F74 HydrophobicContact CG-CZ 3.41Å; K18-F74 VanDerWaalsContact CG-CZ 3.41Å; F21-F74 HydrophobicContact CB-CD2 3.79Å; F21-F74 HydrophobicContact CB-CE2 4.11Å; F21-F74 HydrophobicContact CD1-CB 4.48Å; F21-F74 HydrophobicContact CD1-CD2 4.07Å; F21-F74 HydrophobicContact CD2-CB 4.43Å; F21-F74 HydrophobicContact CD2-CD2 4Å; F21-F74 HydrophobicContact CE1-CB 4.3Å; F21-F74 HydrophobicContact CE2-CB 4.24Å; F21-F74 AromaticContact CG-CD2 3.69Å; F21-F74 HydrophobicContact CG-CD2 3.69Å; F21-F74 HydrophobicContact CG-CE2 4.49Å; F21-F74 HydrophobicContact CZ-CB 4.17Å; F74-E76 VanDerWaalsContact C-N 3.34Å; F74-E76 PolarHBondContact O-N 3.37Å; F74-F77 WeakPolarHBondContact O-CB 3.43Å; F74-F77 PolarHBondContact O-N 3Å; F74-V78 HydrophobicContact CD1-CG2 4.21Å; F74-V78 HydrophobicContact CD2-CG2 4.45Å; F74-V78 HydrophobicContact CE1-CG2 3.76Å; F74-V78 HydrophobicContact CE2-CG2 4.01Å; F74-V78 HydrophobicContact CZ-CG2 3.64Å; F74-V78 VanDerWaalsContact O-CG2 3.24Å; F74-V78 WeakPolarHBondContact O-CG2 3.25Å; F74-V78 PolarHBondContact O-N 2.94Å
75D82.3Confident76.9Confident129 Ų12961.9 Ų61.969%0.6930%0.3SS*.Hα-helixtrans-67.5-36.2179.6-66.4-33.2000111.9S73 Y79S73-D75 VanDerWaalsContact C-N 3.3Å; S73-D75 PolarHBondContact O-N 3.5Å; D75-Y79 WeakPolarHBondContact O-CB 3.32Å; D75-Y79 PolarHBondContact O-N 3.3Å
76E84.6Confident75.6Confident14 Ų1466 Ų667%0.06533%0.331CS..Hα-helixtrans-70-37.4172.9-75.2165.8145.500112G64 R66 N67 I72 S73 F74 Y79 I80G64-E76 WeakPolarHBondContact O-CB 3.28Å; R66-E76 PolarHBondContact N-OE1 2.69Å; N67-E76 PolarHBondContact N-OE1 3.45Å; I72-E76 HydrophobicContact CG2-CB 3.96Å; S73-E76 WeakPolarHBondContact CB-OE2 3.5Å; S73-E76 PolarHBondContact N-OE2 3.24Å; S73-E76 PolarHBondContact O-N 3.09Å; S73-E76 WeakPolarHBondContact OG-CG 3.39Å; S73-E76 PolarHBondContact OG-N 3.29Å; S73-E76 PolarHBondContact OG-OE2 2.84Å; F74-E76 VanDerWaalsContact C-N 3.34Å; F74-E76 PolarHBondContact O-N 3.37Å; E76-Y79 CarbonylContact O-C 3.54Å; E76-Y79 WeakPolarHBondContact O-CB 3.43Å; E76-Y79 PolarHBondContact O-N 3.43Å; E76-I80 VanDerWaalsContact O-CG1 3.26Å; E76-I80 WeakPolarHBondContact O-CG1 3.31Å; E76-I80 PolarHBondContact O-N 2.94Å
77F82.1Confident74.8Confident0 Ų060.2 Ų60.20%031%0.313CS..Hα-helixtrans-63.3-43.5173.7-178.6-96000112L17 A20 F21 I32 I72 S73 F74 Y79 I80 F81 F93 I97L17-F77 HydrophobicContact CD2-CE1 4.29Å; L17-F77 WeakPolarHBondContact O-CE1 3.41Å; A20-F77 HydrophobicContact CB-CE1 4.06Å; A20-F77 HydrophobicContact CB-CZ 3.95Å; F21-F77 HydrophobicContact CB-CD1 4Å; F21-F77 HydrophobicContact CB-CE1 3.91Å; F21-F77 HydrophobicContact CB-CZ 4.33Å; F21-F77 HydrophobicContact CD2-CB 3.55Å; F21-F77 AromaticContact CD2-CD1 3.8Å; F21-F77 HydrophobicContact CD2-CD1 3.8Å; F21-F77 AromaticContact CD2-CD2 3.86Å; F21-F77 HydrophobicContact CD2-CD2 3.86Å; F21-F77 HydrophobicContact CD2-CE1 4.38Å; F21-F77 HydrophobicContact CD2-CE2 4.42Å; F21-F77 AromaticContact CD2-CG 3.5Å; F21-F77 HydrophobicContact CD2-CG 3.5Å; F21-F77 VanDerWaalsContact CD2-CG 3.5Å; F21-F77 HydrophobicContact CE2-CB 3.83Å; F21-F77 HydrophobicContact CE2-CG 4.22Å; F21-F77 HydrophobicContact CG-CD1 4.4Å; F21-F77 HydrophobicContact CG-CG 4.48Å; I32-F77 HydrophobicContact CD1-CD2 3.61Å; I32-F77 HydrophobicContact CD1-CE2 3.82Å; I32-F77 HydrophobicContact CD1-CG 4.45Å; I72-F77 HydrophobicContact CG2-CB 3.97Å; S73-F77 WeakPolarHBondContact O-CB 3.2Å; S73-F77 PolarHBondContact O-N 3.11Å; F74-F77 WeakPolarHBondContact O-CB 3.43Å; F74-F77 PolarHBondContact O-N 3Å; F77-Y79 VanDerWaalsContact C-N 3.27Å; F77-Y79 PolarHBondContact O-N 2.71Å; F77-I80 PolarHBondContact O-N 3.44Å; F77-F81 HydrophobicContact CD1-CD2 4.13Å; F77-F81 HydrophobicContact CD1-CE2 4.29Å; F77-F81 HydrophobicContact CD2-CD2 4.48Å; F77-F81 HydrophobicContact CD2-CE2 4.32Å; F77-F81 AromaticContact CE1-CD2 3.83Å; F77-F81 HydrophobicContact CE1-CD2 3.83Å; F77-F81 AromaticContact CE1-CE2 3.59Å; F77-F81 HydrophobicContact CE1-CE2 3.59Å; F77-F81 HydrophobicContact CE1-CZ 4.2Å; F77-F81 HydrophobicContact CE2-CD2 4.24Å; F77-F81 AromaticContact CE2-CE2 3.65Å; F77-F81 HydrophobicContact CE2-CE2 3.65Å; F77-F81 HydrophobicContact CG-CD2 4.45Å; F77-F81 AromaticContact CZ-CD2 3.91Å; F77-F81 HydrophobicContact CZ-CD2 3.91Å; F77-F81 AromaticContact CZ-CE2 3.24Å; F77-F81 HydrophobicContact CZ-CE2 3.24Å; F77-F81 AromaticContact CZ-CZ 3.86Å; F77-F81 HydrophobicContact CZ-CZ 3.86Å; F77-F81 WeakPolarHBondContact O-CD2 3.36Å; F77-F81 PolarHBondContact O-N 2.67Å; F77-F93 HydrophobicContact CD2-CE1 4.23Å; F77-F93 HydrophobicContact CD2-CZ 4.38Å; F77-F93 AromaticContact CE2-CE1 3.72Å; F77-F93 HydrophobicContact CE2-CE1 3.72Å; F77-F93 AromaticContact CE2-CZ 3.8Å; F77-F93 HydrophobicContact CE2-CZ 3.8Å; F77-I97 HydrophobicContact CE2-CD1 4.19Å; F77-I97 HydrophobicContact CZ-CD1 4.01Å
78V81.3Confident73.8Confident13 Ų1361.2 Ų61.28%0.07932%0.319CS..Hα-helixtrans-59.5-42.2172.4172.80000109.9I9 L17 F74 F81 Q82I9-V78 HydrophobicContact CD1-CG1 3.6Å; L17-V78 HydrophobicContact CD1-CG1 4.24Å; L17-V78 HydrophobicContact CD1-CG2 4.19Å; F74-V78 HydrophobicContact CD1-CG2 4.21Å; F74-V78 HydrophobicContact CD2-CG2 4.45Å; F74-V78 HydrophobicContact CE1-CG2 3.76Å; F74-V78 HydrophobicContact CE2-CG2 4.01Å; F74-V78 HydrophobicContact CZ-CG2 3.64Å; F74-V78 VanDerWaalsContact O-CG2 3.24Å; F74-V78 WeakPolarHBondContact O-CG2 3.25Å; F74-V78 PolarHBondContact O-N 2.94Å; V78-F81 CarbonylContact O-C 3.56Å; V78-F81 PolarHBondContact O-N 3.26Å; V78-Q82 HydrophobicContact CG1-CG 4.36Å; V78-Q82 WeakPolarHBondContact O-CB 3.49Å; V78-Q82 WeakPolarHBondContact O-CG 3.3Å; V78-Q82 PolarHBondContact O-N 2.91Å
79Y77Confident73.1Confident48 Ų4853.7 Ų53.719%0.18829%0.287CS..Hα-helixtrans-62.4-46175.6176.3-97.2000113.1R66 D75 E76 F77 F81 Q82 E83R66-Y79 VanDerWaalsContact CZ-CE1 3.46Å; R66-Y79 PolarHBondContact NH2-OH 3.43Å; D75-Y79 WeakPolarHBondContact O-CB 3.32Å; D75-Y79 PolarHBondContact O-N 3.3Å; E76-Y79 CarbonylContact O-C 3.54Å; E76-Y79 WeakPolarHBondContact O-CB 3.43Å; E76-Y79 PolarHBondContact O-N 3.43Å; F77-Y79 VanDerWaalsContact C-N 3.27Å; F77-Y79 PolarHBondContact O-N 2.71Å; Y79-F81 PolarHBondContact O-N 2.89Å; Y79-Q82 PolarHBondContact O-N 3.23Å; Y79-E83 HydrophobicContact CD2-CB 4.39Å; Y79-E83 HydrophobicContact CD2-CG 4.06Å; Y79-E83 HydrophobicContact CE1-CB 4.47Å; Y79-E83 HydrophobicContact CE2-CB 3.69Å; Y79-E83 VanDerWaalsContact CE2-CD 3.41Å; Y79-E83 HydrophobicContact CE2-CG 3.36Å; Y79-E83 WeakPolarHBondContact CE2-OE2 3.3Å; Y79-E83 PolarHBondContact O-N 3.23Å; Y79-E83 PolarHBondContact OH-OE2 3.31Å
80I75Confident72.3Confident4 Ų450.3 Ų50.32%0.02127%0.27CS..Hα-helixtrans-56-40.7173.8-67.2164.4000110L60 G64 I72 E76 F77 V84 F93L60-I80 HydrophobicContact CD2-CG2 4.05Å; G64-I80 VanDerWaalsContact CA-CG1 3.48Å; I72-I80 HydrophobicContact CD1-CD1 3.77Å; I72-I80 HydrophobicContact CG1-CD1 4.3Å; I72-I80 HydrophobicContact CG2-CD1 3.76Å; E76-I80 VanDerWaalsContact O-CG1 3.26Å; E76-I80 WeakPolarHBondContact O-CG1 3.31Å; E76-I80 PolarHBondContact O-N 2.94Å; F77-I80 PolarHBondContact O-N 3.44Å; I80-V84 HydrophobicContact CG2-CG2 4.41Å; I80-V84 VanDerWaalsContact O-CB 3.26Å; I80-V84 WeakPolarHBondContact O-CB 3.49Å; I80-V84 VanDerWaalsContact O-CG2 3.28Å; I80-V84 WeakPolarHBondContact O-CG2 3.3Å; I80-F93 HydrophobicContact CG2-CD1 4.41Å; I80-F93 HydrophobicContact CG2-CE1 4.46Å
81F71.4Confident71.8Confident26 Ų2653.9 Ų53.911%0.11427%0.273CS..Hα-helixtrans-72.2-26.5176.7-94.9-107.3000113.7L17 F77 V78 Y79 F93 R94 I97L17-F81 HydrophobicContact CD2-CB 3.65Å; L17-F81 HydrophobicContact CD2-CD1 3.26Å; L17-F81 HydrophobicContact CD2-CD2 4.11Å; L17-F81 HydrophobicContact CD2-CE1 3.81Å; L17-F81 HydrophobicContact CD2-CG 3.41Å; L17-F81 VanDerWaalsContact CD2-CG 3.41Å; L17-F81 HydrophobicContact CD2-CZ 4.44Å; F77-F81 HydrophobicContact CD1-CD2 4.13Å; F77-F81 HydrophobicContact CD1-CE2 4.29Å; F77-F81 HydrophobicContact CD2-CD2 4.48Å; F77-F81 HydrophobicContact CD2-CE2 4.32Å; F77-F81 AromaticContact CE1-CD2 3.83Å; F77-F81 HydrophobicContact CE1-CD2 3.83Å; F77-F81 AromaticContact CE1-CE2 3.59Å; F77-F81 HydrophobicContact CE1-CE2 3.59Å; F77-F81 HydrophobicContact CE1-CZ 4.2Å; F77-F81 HydrophobicContact CE2-CD2 4.24Å; F77-F81 AromaticContact CE2-CE2 3.65Å; F77-F81 HydrophobicContact CE2-CE2 3.65Å; F77-F81 HydrophobicContact CG-CD2 4.45Å; F77-F81 AromaticContact CZ-CD2 3.91Å; F77-F81 HydrophobicContact CZ-CD2 3.91Å; F77-F81 AromaticContact CZ-CE2 3.24Å; F77-F81 HydrophobicContact CZ-CE2 3.24Å; F77-F81 AromaticContact CZ-CZ 3.86Å; F77-F81 HydrophobicContact CZ-CZ 3.86Å; F77-F81 WeakPolarHBondContact O-CD2 3.36Å; F77-F81 PolarHBondContact O-N 2.67Å; V78-F81 CarbonylContact O-C 3.56Å; V78-F81 PolarHBondContact O-N 3.26Å; Y79-F81 PolarHBondContact O-N 2.89Å; F81-F93 HydrophobicContact CD2-CE1 4.47Å; F81-F93 HydrophobicContact CE2-CD1 4.03Å; F81-F93 AromaticContact CE2-CE1 3.76Å; F81-F93 HydrophobicContact CE2-CE1 3.76Å; F81-R94 HydrophobicContact CD1-CG 4.21Å; F81-R94 HydrophobicContact CE1-CG 3.58Å; F81-R94 HydrophobicContact CZ-CG 3.82Å; F81-R94 PolarHBondContact O-NH2 3.35Å; F81-I97 HydrophobicContact CE2-CD1 3.91Å; F81-I97 HydrophobicContact CZ-CD1 3.67Å
82Q70.7Confident71Confident54 Ų5451.3 Ų51.325%0.25226%0.264SS..Hα-helixtrans-90.7-48.6-176.6-76.6-169.4-25.700114.4V78 Y79 K85V78-Q82 HydrophobicContact CG1-CG 4.36Å; V78-Q82 WeakPolarHBondContact O-CB 3.49Å; V78-Q82 WeakPolarHBondContact O-CG 3.3Å; V78-Q82 PolarHBondContact O-N 2.91Å; Y79-Q82 PolarHBondContact O-N 3.23Å; Q82-K85 WeakPolarHBondContact O-CD 3.34Å; Q82-K85 VanDerWaalsContact O-CG 3.28Å; Q82-K85 WeakPolarHBondContact O-CG 3.03Å
83E61.6Low70.4Confident127 Ų12751.3 Ų51.359%0.59326%0.264SS*.Hα-helixtrans-92.7-22.4-172-76.2-140.7152.700113.8Y79 K85Y79-E83 HydrophobicContact CD2-CB 4.39Å; Y79-E83 HydrophobicContact CD2-CG 4.06Å; Y79-E83 HydrophobicContact CE1-CB 4.47Å; Y79-E83 HydrophobicContact CE2-CB 3.69Å; Y79-E83 VanDerWaalsContact CE2-CD 3.41Å; Y79-E83 HydrophobicContact CE2-CG 3.36Å; Y79-E83 WeakPolarHBondContact CE2-OE2 3.3Å; Y79-E83 PolarHBondContact O-N 3.23Å; Y79-E83 PolarHBondContact OH-OE2 3.31Å; E83-K85 PolarHBondContact O-N 3.19Å; E83-K85 VanDerWaalsContact O-N 3.15Å
84V54.5Low69.6Low22 Ų2254.1 Ų54.113%0.13327%0.271CS..  trans-84.516.7-179.9-159.20000112I80 S86 S87 A90I80-V84 HydrophobicContact CG2-CG2 4.41Å; I80-V84 VanDerWaalsContact O-CB 3.26Å; I80-V84 WeakPolarHBondContact O-CB 3.49Å; I80-V84 VanDerWaalsContact O-CG2 3.28Å; I80-V84 WeakPolarHBondContact O-CG2 3.3Å; V84-S86 PolarHBondContact O-N 3.26Å; V84-S87 VanDerWaalsContact CG1-OG 3.28Å; V84-S87 WeakPolarHBondContact CG1-OG 3.36Å; V84-S87 PolarHBondContact O-N 2.99Å; V84-S87 VanDerWaalsContact O-N 3.14Å; V84-A90 HydrophobicContact CB-CB 3.62Å; V84-A90 HydrophobicContact CG1-CB 3.44Å; V84-A90 VanDerWaalsContact CG1-CB 3.44Å; V84-A90 VanDerWaalsContact O-CB 3.26Å; V84-A90 WeakPolarHBondContact O-CB 3.48Å
85K50.3Low68.8Low137 Ų13754.4 Ų54.460%0.59627%0.272SS*.THydrogen-bonded Turntrans-54.5-16.8-178.2-80.2179.2-177.6-177.30114.6Q82 E83Q82-K85 WeakPolarHBondContact O-CD 3.34Å; Q82-K85 VanDerWaalsContact O-CG 3.28Å; Q82-K85 WeakPolarHBondContact O-CG 3.03Å; E83-K85 PolarHBondContact O-N 3.19Å; E83-K85 VanDerWaalsContact O-N 3.15Å
86S53Low68.2Low107 Ų10748.2 Ų48.275%0.74824%0.239SC*.THydrogen-bonded Turntrans-107.9-5.6-177.255.50000115.8V84V84-S86 PolarHBondContact O-N 3.26Å
87S62.6Low67.4Low28 Ų2847.8 Ų47.820%0.19624%0.237CC..SBendtrans-96.3141-178.7117.10000112.1V84 I89 A90 K91V84-S87 VanDerWaalsContact CG1-OG 3.28Å; V84-S87 WeakPolarHBondContact CG1-OG 3.36Å; V84-S87 PolarHBondContact O-N 2.99Å; V84-S87 VanDerWaalsContact O-N 3.14Å; S87-I89 PolarHBondContact O-N 3.21Å; S87-I89 VanDerWaalsContact O-N 3.09Å; S87-I89 WeakPolarHBondContact OG-CB 3.46Å; S87-I89 PolarHBondContact OG-N 3.08Å; S87-A90 PolarHBondContact O-N 2.9Å; S87-K91 PolarHBondContact O-N 2.8Å
88D61Low66.5Low111 Ų11152.8 Ų52.859%0.59426%0.264SS*.Hα-helixtrans-61.2-18.8178.4-68.5-32.2000113.2K91 T92D88-K91 IonicContact OD1-NZ 2.86Å; D88-T92 WeakPolarHBondContact O-CB 3.45Å; D88-T92 PolarHBondContact O-N 3.1Å; D88-T92 VanDerWaalsContact O-N 3.14Å; D88-T92 PolarHBondContact O-OG1 3.3Å
89I65.4Low65.7Low27 Ų2755.7 Ų55.714%0.13827%0.274CS..Hα-helixtrans-76.7-44.5-179.1-63.7168.1000110.5I56 K59 L60 S87 K91 T92 F93I56-I89 HydrophobicContact CB-CG2 4.49Å; I56-I89 HydrophobicContact CG1-CG1 4.48Å; I56-I89 HydrophobicContact CG2-CG2 3.86Å; K59-I89 HydrophobicContact CB-CD1 4.02Å; K59-I89 HydrophobicContact CD-CD1 3.25Å; K59-I89 HydrophobicContact CG-CD1 3.64Å; L60-I89 HydrophobicContact CD1-CG2 4.36Å; L60-I89 HydrophobicContact CD2-CG2 3.92Å; L60-I89 HydrophobicContact CG-CG2 3.74Å; S87-I89 PolarHBondContact O-N 3.21Å; S87-I89 VanDerWaalsContact O-N 3.09Å; S87-I89 WeakPolarHBondContact OG-CB 3.46Å; S87-I89 PolarHBondContact OG-N 3.08Å; I89-K91 VanDerWaalsContact C-N 3.34Å; I89-K91 PolarHBondContact O-N 3.01Å; I89-T92 WeakPolarHBondContact O-CB 3.32Å; I89-T92 PolarHBondContact O-N 2.78Å; I89-T92 VanDerWaalsContact O-N 3.16Å; I89-F93 WeakPolarHBondContact O-CB 3.36Å; I89-F93 PolarHBondContact O-N 3.2Å
90A64.2Low64.8Low5 Ų554.6 Ų54.64%0.04127%0.27CS..Hα-helixtrans-69.1-33.6177.200000112.6V84 S87 T92 F93 R94V84-A90 HydrophobicContact CB-CB 3.62Å; V84-A90 HydrophobicContact CG1-CB 3.44Å; V84-A90 VanDerWaalsContact CG1-CB 3.44Å; V84-A90 VanDerWaalsContact O-CB 3.26Å; V84-A90 WeakPolarHBondContact O-CB 3.48Å; S87-A90 PolarHBondContact O-N 2.9Å; A90-T92 VanDerWaalsContact C-N 3.3Å; A90-T92 PolarHBondContact O-N 3.48Å; A90-F93 PolarHBondContact O-N 3.25Å; A90-R94 WeakPolarHBondContact O-CG 3.47Å; A90-R94 PolarHBondContact O-N 2.8Å
91K66.9Low63.8Low118 Ų11860.2 Ų60.251%0.51330%0.296SS..Hα-helixtrans-61.3-42.2170.6-66.3176.7-171.6161.90111.1S87 D88 I89 K95S87-K91 PolarHBondContact O-N 2.8Å; D88-K91 IonicContact OD1-NZ 2.86Å; I89-K91 VanDerWaalsContact C-N 3.34Å; I89-K91 PolarHBondContact O-N 3.01Å; K91-K95 WeakPolarHBondContact O-CB 3.35Å; K91-K95 PolarHBondContact O-N 2.81Å
92T69.4Low62.7Low30 Ų3060.8 Ų60.818%0.18431%0.309CS..Hα-helixtrans-66.1-42.5177.3-62.10000111.7F41 M46 L48 I56 D88 I89 A90 K95 A96F41-T92 HydrophobicContact CE1-CG2 3.71Å; F41-T92 HydrophobicContact CZ-CG2 4.38Å; M46-T92 HydrophobicContact CE-CG2 3.7Å; M46-T92 HydrophobicContact SD-CG2 4.06Å; L48-T92 HydrophobicContact CD1-CG2 3.88Å; I56-T92 HydrophobicContact CD1-CG2 3.83Å; D88-T92 WeakPolarHBondContact O-CB 3.45Å; D88-T92 PolarHBondContact O-N 3.1Å; D88-T92 VanDerWaalsContact O-N 3.14Å; D88-T92 PolarHBondContact O-OG1 3.3Å; I89-T92 WeakPolarHBondContact O-CB 3.32Å; I89-T92 PolarHBondContact O-N 2.78Å; I89-T92 VanDerWaalsContact O-N 3.16Å; A90-T92 VanDerWaalsContact C-N 3.3Å; A90-T92 PolarHBondContact O-N 3.48Å; T92-K95 PolarHBondContact O-N 3.48Å; T92-A96 PolarHBondContact O-N 3.48Å
93F72.8Confident61.7Low3 Ų360.3 Ų60.31%0.01331%0.308CS..Hα-helixtrans-63.1-48176.3-175.3-126.1000112.8L37 L40 F41 L60 F77 I80 F81 I89 A90 K95 A96 I97L37-F93 HydrophobicContact CD2-CD2 4.37Å; L37-F93 HydrophobicContact CD2-CE2 3.35Å; L37-F93 HydrophobicContact CD2-CZ 3.73Å; L40-F93 HydrophobicContact CD2-CD2 3.8Å; L40-F93 HydrophobicContact CD2-CE2 3.36Å; L40-F93 HydrophobicContact CD2-CZ 4.33Å; F41-F93 AromaticContact CE2-CD2 4Å; F41-F93 HydrophobicContact CE2-CD2 4Å; F41-F93 HydrophobicContact CZ-CB 4.19Å; F41-F93 AromaticContact CZ-CD2 3.88Å; F41-F93 HydrophobicContact CZ-CD2 3.88Å; L60-F93 HydrophobicContact CD1-CB 4.02Å; L60-F93 HydrophobicContact CD1-CD2 3.7Å; L60-F93 HydrophobicContact CD1-CE2 4.3Å; L60-F93 HydrophobicContact CD1-CG 3.88Å; L60-F93 HydrophobicContact CD2-CB 4.18Å; L60-F93 HydrophobicContact CD2-CD1 4.21Å; L60-F93 HydrophobicContact CD2-CG 4.13Å; F77-F93 HydrophobicContact CD2-CE1 4.23Å; F77-F93 HydrophobicContact CD2-CZ 4.38Å; F77-F93 AromaticContact CE2-CE1 3.72Å; F77-F93 HydrophobicContact CE2-CE1 3.72Å; F77-F93 AromaticContact CE2-CZ 3.8Å; F77-F93 HydrophobicContact CE2-CZ 3.8Å; I80-F93 HydrophobicContact CG2-CD1 4.41Å; I80-F93 HydrophobicContact CG2-CE1 4.46Å; F81-F93 HydrophobicContact CD2-CE1 4.47Å; F81-F93 HydrophobicContact CE2-CD1 4.03Å; F81-F93 AromaticContact CE2-CE1 3.76Å; F81-F93 HydrophobicContact CE2-CE1 3.76Å; I89-F93 WeakPolarHBondContact O-CB 3.36Å; I89-F93 PolarHBondContact O-N 3.2Å; A90-F93 PolarHBondContact O-N 3.25Å; F93-K95 VanDerWaalsContact C-N 3.31Å; F93-K95 PolarHBondContact O-N 2.8Å; F93-A96 WeakPolarHBondContact O-CB 3.27Å; F93-A96 PolarHBondContact O-N 2.98Å; F93-A96 VanDerWaalsContact O-N 3.1Å; F93-I97 HydrophobicContact CD1-CD1 4.13Å; F93-I97 HydrophobicContact CD2-CD1 4.47Å; F93-I97 HydrophobicContact CE1-CD1 3.8Å; F93-I97 HydrophobicContact CE2-CD1 4.15Å; F93-I97 HydrophobicContact CG-CD1 4.46Å; F93-I97 HydrophobicContact CZ-CD1 3.81Å; F93-I97 WeakPolarHBondContact O-CG1 3.33Å; F93-I97 PolarHBondContact O-N 2.93Å
94R71.1Confident60.7Low82 Ų8257 Ų5731%0.30930%0.298SS..Hα-helixtrans-59.3-41.3173.8-75.3-177.2-176.7167.30.8112.6F81 A90 A96 I97 N98F81-R94 HydrophobicContact CD1-CG 4.21Å; F81-R94 HydrophobicContact CE1-CG 3.58Å; F81-R94 HydrophobicContact CZ-CG 3.82Å; F81-R94 PolarHBondContact O-NH2 3.35Å; A90-R94 WeakPolarHBondContact O-CG 3.47Å; A90-R94 PolarHBondContact O-N 2.8Å; R94-A96 VanDerWaalsContact C-N 3.28Å; R94-A96 PolarHBondContact O-N 3.23Å; R94-I97 PolarHBondContact O-N 3.36Å; R94-N98 VanDerWaalsContact O-CG 3.29Å; R94-N98 PolarHBondContact O-N 3.48Å; R94-N98 PolarHBondContact O-OD1 2.64Å
95K68.1Low60Low57 Ų5758.7 Ų58.725%0.24831%0.314CS..Hα-helixtrans-63-36.4176.5-175.4176.1172.5-169.60111.7M46 K91 T92 F93 R99 D295M46-K95 HydrophobicContact CE-CD 3.87Å; M46-K95 HydrophobicContact CE-CG 4.3Å; K91-K95 WeakPolarHBondContact O-CB 3.35Å; K91-K95 PolarHBondContact O-N 2.81Å; T92-K95 PolarHBondContact O-N 3.48Å; F93-K95 VanDerWaalsContact C-N 3.31Å; F93-K95 PolarHBondContact O-N 2.8Å; K95-R99 WeakPolarHBondContact O-CB 3.42Å; K95-R99 WeakPolarHBondContact O-CG 3.22Å; K95-R99 PolarHBondContact O-N 3.35Å; K95-D295 IonicContact NZ-OD1 2.93Å; K95-D295 PolarHBondContact NZ-OD1 2.8Å; K95-D295 IonicContact NZ-OD2 2.77Å; K95-D295 PolarHBondContact NZ-OD2 2.83Å
96A68.9Low59.3Low0 Ų056.8 Ų56.80%031%0.31CS..Hα-helixtrans-65.8-44.9175.800000111.8L40 F41 A44 M46 T92 F93 R94 R99 K100L40-A96 HydrophobicContact CD1-CB 4.44Å; L40-A96 HydrophobicContact CD2-CB 4.31Å; L40-A96 HydrophobicContact CG-CB 4.08Å; F41-A96 HydrophobicContact CD1-CB 3.72Å; F41-A96 HydrophobicContact CE1-CB 3.61Å; F41-A96 HydrophobicContact CG-CB 4.49Å; F41-A96 HydrophobicContact CZ-CB 4.33Å; A44-A96 HydrophobicContact CB-CB 3.68Å; M46-A96 HydrophobicContact SD-CB 4.03Å; T92-A96 PolarHBondContact O-N 3.48Å; F93-A96 WeakPolarHBondContact O-CB 3.27Å; F93-A96 PolarHBondContact O-N 2.98Å; F93-A96 VanDerWaalsContact O-N 3.1Å; R94-A96 VanDerWaalsContact C-N 3.28Å; R94-A96 PolarHBondContact O-N 3.23Å; A96-R99 PolarHBondContact O-N 2.82Å; A96-K100 PolarHBondContact O-N 3.12Å; A96-K100 VanDerWaalsContact O-N 3.09Å
97I67.4Low58.4Low4 Ų454.4 Ų54.42%0.02130%0.303CS..Hα-helixtrans-60.9-47.4176.1-64.5169.9000111.2A20 V24 L40 F77 F81 F93 R94 R99 K100 E101A20-I97 HydrophobicContact CB-CG2 3.97Å; V24-I97 HydrophobicContact CG2-CD1 4.11Å; V24-I97 HydrophobicContact CG2-CG1 3.96Å; L40-I97 HydrophobicContact CD1-CG1 4.09Å; L40-I97 HydrophobicContact CD2-CG1 3.8Å; F77-I97 HydrophobicContact CE2-CD1 4.19Å; F77-I97 HydrophobicContact CZ-CD1 4.01Å; F81-I97 HydrophobicContact CE2-CD1 3.91Å; F81-I97 HydrophobicContact CZ-CD1 3.67Å; F93-I97 HydrophobicContact CD1-CD1 4.13Å; F93-I97 HydrophobicContact CD2-CD1 4.47Å; F93-I97 HydrophobicContact CE1-CD1 3.8Å; F93-I97 HydrophobicContact CE2-CD1 4.15Å; F93-I97 HydrophobicContact CG-CD1 4.46Å; F93-I97 HydrophobicContact CZ-CD1 3.81Å; F93-I97 WeakPolarHBondContact O-CG1 3.33Å; F93-I97 PolarHBondContact O-N 2.93Å; R94-I97 PolarHBondContact O-N 3.36Å; I97-R99 VanDerWaalsContact C-N 3.3Å; I97-R99 PolarHBondContact O-N 3.04Å; I97-K100 WeakPolarHBondContact O-CB 3.47Å; I97-K100 PolarHBondContact O-N 3.31Å; I97-E101 PolarHBondContact O-N 3Å
98N64.5Low57Low105 Ų10556.7 Ų56.756%0.56133%0.33SS*.Hα-helixtrans-67.8-28.4179.9-66.72.8000112.8R94 E101R94-N98 VanDerWaalsContact O-CG 3.29Å; R94-N98 PolarHBondContact O-N 3.48Å; R94-N98 PolarHBondContact O-OD1 2.64Å; N98-E101 WeakPolarHBondContact O-CB 3.42Å
99R64.3Low55.6Low74 Ų7457.9 Ų57.928%0.27934%0.342SS..Hα-helixtrans-73.7-34173.8-84-169.8175.9-170.8-1.7112.7A44 N45 K95 A96 I97 E101 G102 I103 D295A44-R99 HydrophobicContact CB-CB 4.11Å; A44-R99 WeakPolarHBondContact O-CD 3.47Å; A44-R99 PolarHBondContact O-NH1 3.13Å; N45-R99 PolarHBondContact O-NH1 2.98Å; K95-R99 WeakPolarHBondContact O-CB 3.42Å; K95-R99 WeakPolarHBondContact O-CG 3.22Å; K95-R99 PolarHBondContact O-N 3.35Å; A96-R99 PolarHBondContact O-N 2.82Å; I97-R99 VanDerWaalsContact C-N 3.3Å; I97-R99 PolarHBondContact O-N 3.04Å; R99-E101 PolarHBondContact O-N 3.3Å; R99-G102 PolarHBondContact O-N 3Å; R99-I103 WeakPolarHBondContact O-CG1 3.34Å; R99-D295 IonicContact NH2-OD2 2.65Å
100K58.7Low54.3Low25 Ų2560.1 Ų60.111%0.10936%0.36CS..Hα-helixtrans-62.3-27.3175.5-175.9169.7175.4157.50112.2K23 L40 E43 A96 I97 G102 I103K23-K100 WeakPolarHBondContact O-CE 3.33Å; K23-K100 PolarHBondContact O-NZ 3.2Å; L40-K100 HydrophobicContact CD1-CB 4.17Å; L40-K100 HydrophobicContact CD1-CD 3.69Å; E43-K100 WeakPolarHBondContact OE2-CD 3.28Å; E43-K100 WeakPolarHBondContact OE2-CE 3.17Å; E43-K100 IonicContact OE2-NZ 3.35Å; E43-K100 PolarHBondContact OE2-NZ 2.84Å; A96-K100 PolarHBondContact O-N 3.12Å; A96-K100 VanDerWaalsContact O-N 3.09Å; I97-K100 WeakPolarHBondContact O-CB 3.47Å; I97-K100 PolarHBondContact O-N 3.31Å; K100-G102 PolarHBondContact O-N 3.22Å; K100-I103 PolarHBondContact O-N 3.01Å
101E52.7Low52.9Low122 Ų12269.7 Ų69.757%0.5740%0.404SS*.THydrogen-bonded Turntrans-58.3-27.8177.5-169.7159.7-127.800114.8K23 I97 N98 R99K23-E101 IonicContact NZ-OE1 3.58Å; K23-E101 PolarHBondContact NZ-OE1 3.27Å; I97-E101 PolarHBondContact O-N 3Å; N98-E101 WeakPolarHBondContact O-CB 3.42Å; R99-E101 PolarHBondContact O-N 3.3Å
102G47.7Very low51.3Low38 Ų3872.2 Ų72.239%0.39242%0.422SS..THydrogen-bonded Turntrans-94.910.6-18000000115.4R99 K100R99-G102 PolarHBondContact O-N 3Å; K100-G102 PolarHBondContact O-N 3.22Å
103I50.3Low49.6Very low45 Ų4574.3 Ų74.323%0.23144%0.438CS..EExtended strand (participates in β ladder)trans-124.3117.4-173.3-22.2179.2000111.5E43 R99 K100 A105 S120 Y121E43-I103 WeakPolarHBondContact O-CD1 3.3Å; R99-I103 WeakPolarHBondContact O-CG1 3.34Å; K100-I103 PolarHBondContact O-N 3.01Å; I103-A105 PolarHBondContact O-N 3.35Å; I103-S120 WeakPolarHBondContact CG2-OG 3.38Å; I103-Y121 WeakPolarHBondContact CG2-O 3.41Å
104C42Very low47.6Very low58 Ų5878.8 Ų78.839%0.39247%0.469SS..EExtended strand (participates in β ladder)trans-73.8112-179.6-73.70000111.1S120 Y121C104-S120 WeakPolarHBondContact O-CA 3.21Å; C104-Y121 HydrophobicContact CB-CE1 4.27Å; C104-Y121 PolarHBondContact N-O 3.17Å; C104-Y121 PolarHBondContact O-N 3.33Å
105A39.3Very low45.5Very low56 Ų5684.5 Ų84.546%0.46350%0.5SS..EExtended strand (participates in β ladder)trans-82.2125.217400000111.4I103I103-A105 PolarHBondContact O-N 3.35Å
106L34.7Very low43.7Very low97 Ų9784.5 Ų84.551%0.50852%0.516SS..EExtended strand (participates in β ladder)trans-106.5130.2169.2-79.2161.3000109.8Y121 P224L106-Y121 HydrophobicContact CD1-CE1 4Å; L106-P224 HydrophobicContact CD1-CG 4.29Å
107G35.1Very low42Very low58 Ų5886.6 Ų86.660%0.59853%0.529SS*.  trans-68.6129.8169.400000110.9
108G32.5Very low40.5Very low75 Ų7589.8 Ų89.877%0.77354%0.544SS*.  trans-66.5133.6-174.600000113.5
109T32.2Very low39.6Very low136 Ų13689 Ų8983%0.83454%0.537SS*.  trans-111.139.4178.258.10000112.7
110S37.8Very low39Very low74 Ų7487 Ų8752%0.51753%0.534SS..  trans-144120.7177.5-66.90000112.5L112S110-L112 PolarHBondContact O-N 2.89Å
111E33.6Very low39.4Very low206 Ų20686.9 Ų86.996%0.96353%0.533SS*.THydrogen-bonded Turntrans-68.52-175.8-63.5179.5161.300114.8
112L33.6Very low40.7Very low172 Ų17281.8 Ų81.890%0.90151%0.511SS*.THydrogen-bonded Turntrans-123.34.8-173-75.2162.1000114.6S110S110-L112 PolarHBondContact O-N 2.89Å
113S35.4Very low42.3Very low74 Ų7482.7 Ų82.752%0.51751%0.505SS..SBendtrans-115109.6171.6-56.10000107.3E115S113-E115 PolarHBondContact O-N 2.66Å
114S30.4Very low43.8Very low96 Ų9683.9 Ų83.967%0.67151%0.509SS*.  trans5.8103.5168.850.10000114.6G116S114-G116 PolarHBondContact O-N 2.84Å
115E27.2Very low45.9Very low202 Ų20282.3 Ų82.394%0.94450%0.496SS*.THydrogen-bonded Turntrans-34.4119.6174.7-69.1176.714600111.7S113S113-E115 PolarHBondContact O-N 2.66Å
116G30Very low48.4Very low58 Ų5879.8 Ų79.860%0.59848%0.475SS*.THydrogen-bonded Turntrans102.2-0.5159.100000119.1S114 Q118S114-G116 PolarHBondContact O-N 2.84Å; G116-Q118 PolarHBondContact O-N 3.09Å
117T33.4Very low51.1Low44 Ų4479 Ų7927%0.2747%0.466SS..  trans-82.2104.6177.1-50.80000111.3
118Q35.2Very low53.7Low70 Ų7076.5 Ų76.533%0.32744%0.439SS..  trans-67.7127.1164.9-71.7-175.5-10.200108.6G116G116-Q118 PolarHBondContact O-N 3.09Å
119H46.1Very low56.6Low90 Ų9072.9 Ų72.942%0.41740%0.402SS..EExtended strand (participates in β ladder)trans-108.2112.1174.9-69.5-69.3000109.1H225H119-H225 HydrophobicContact CB-CB 4.47Å; H119-H225 WeakPolarHBondContact CB-ND1 3.31Å; H119-H225 AromaticContact CD2-CE1 3.76Å; H119-H225 AromaticContact CD2-NE2 3.91Å; H119-H225 AromaticContact CG-CE1 3.6Å; H119-H225 AromaticContact CG-ND1 3.92Å; H119-H225 AromaticContact CG-NE2 3.71Å; H119-H225 AromaticContact ND1-NE2 3.93Å
120S51.3Low59.6Low31 Ų3166.4 Ų66.422%0.21736%0.363CS..EExtended strand (participates in β ladder)trans-93.9147.9179.268.30000111.7I103 C104I103-S120 WeakPolarHBondContact CG2-OG 3.38Å; C104-S120 WeakPolarHBondContact O-CA 3.21Å
121Y67.3Low62.1Low22 Ų2265.8 Ų65.89%0.08635%0.353CS..EExtended strand (participates in β ladder)trans-135.9157.9174.473.5-85.8000112.5I103 C104 L106 E123 K126 F157 P224 L228I103-Y121 WeakPolarHBondContact CG2-O 3.41Å; C104-Y121 HydrophobicContact CB-CE1 4.27Å; C104-Y121 PolarHBondContact N-O 3.17Å; C104-Y121 PolarHBondContact O-N 3.33Å; L106-Y121 HydrophobicContact CD1-CE1 4Å; Y121-E123 WeakPolarHBondContact CE2-OE1 3.32Å; Y121-E123 PolarHBondContact OH-OE1 2.86Å; Y121-K126 HydrophobicContact CE2-CD 4.4Å; Y121-F157 HydrophobicContact CD2-CZ 4.18Å; Y121-F157 HydrophobicContact CE2-CE2 4.05Å; Y121-F157 AromaticContact CE2-CZ 3.83Å; Y121-F157 HydrophobicContact CE2-CZ 3.83Å; Y121-P224 HydrophobicContact CD1-CB 3.31Å; Y121-P224 HydrophobicContact CD1-CG 4.05Å; Y121-P224 HydrophobicContact CD2-CB 4.06Å; Y121-P224 HydrophobicContact CE1-CB 3.55Å; Y121-P224 HydrophobicContact CE1-CG 3.85Å; Y121-P224 HydrophobicContact CE2-CB 4.25Å; Y121-P224 HydrophobicContact CG-CB 3.59Å; Y121-L228 HydrophobicContact CD2-CD1 3.44Å; Y121-L228 VanDerWaalsContact CD2-CD1 3.44Å; Y121-L228 HydrophobicContact CE2-CD1 4.37Å; Y121-L228 HydrophobicContact CG-CD1 4.02Å
122S79.2Confident64.9Low16 Ų1657.8 Ų57.811%0.11231%0.314CS..EExtended strand (participates in β ladder)trans-88.4124.2-177.8165.20000111.3E124 E125 K126S122-E124 VanDerWaalsContact C-N 3.31Å; S122-E124 PolarHBondContact OG-N 3.27Å; S122-E124 PolarHBondContact OG-OE2 2.83Å; S122-E125 PolarHBondContact O-N 3.17Å; S122-E125 WeakPolarHBondContact OG-CG 3.39Å; S122-E125 PolarHBondContact OG-N 2.88Å; S122-E125 VanDerWaalsContact OG-N 3.11Å; S122-K126 PolarHBondContact O-N 2.83Å
123E81Confident67.9Low57 Ų5749.6 Ų49.627%0.26627%0.271SS..Hα-helixtrans-69.1-32.8175-76.2-69.5124.400111.4Y121 K126 Y127Y121-E123 WeakPolarHBondContact CE2-OE1 3.32Å; Y121-E123 PolarHBondContact OH-OE1 2.86Å; E123-K126 WeakPolarHBondContact O-CB 3.41Å; E123-K126 PolarHBondContact O-N 3.38Å; E123-K126 IonicContact OE1-NZ 2.64Å; E123-K126 PolarHBondContact OE1-NZ 3.3Å; E123-K126 WeakPolarHBondContact OE2-CE 2.96Å; E123-K126 IonicContact OE2-NZ 3.48Å; E123-K126 PolarHBondContact OE2-NZ 3.09Å; E123-Y127 WeakPolarHBondContact O-CB 3.35Å; E123-Y127 PolarHBondContact O-N 3.29Å
124E83.2Confident70.7Confident69 Ų6947.1 Ų47.132%0.32225%0.253SS..Hα-helixtrans-62.5-45.8174.7-58.375.4-161.300111.2S122 Y127 A128 D366 L374S122-E124 VanDerWaalsContact C-N 3.31Å; S122-E124 PolarHBondContact OG-N 3.27Å; S122-E124 PolarHBondContact OG-OE2 2.83Å; E124-Y127 PolarHBondContact O-N 3.42Å; E124-A128 VanDerWaalsContact O-CB 3.32Å; E124-A128 WeakPolarHBondContact O-CB 3.19Å; E124-A128 PolarHBondContact O-N 3.38Å; E124-D366 WeakPolarHBondContact CB-OD1 3.36Å; E124-D366 WeakPolarHBondContact CG-OD1 3.35Å; E124-L374 HydrophobicContact CB-CD1 3.94Å
125E86.3Confident73.7Confident25 Ų2547.8 Ų47.812%0.11724%0.243CC..Hα-helixtrans-61.6-44.4175.3-71.6177.5-178.400111.2S122 A128 F129 K373 L374S122-E125 PolarHBondContact O-N 3.17Å; S122-E125 WeakPolarHBondContact OG-CG 3.39Å; S122-E125 PolarHBondContact OG-N 2.88Å; S122-E125 VanDerWaalsContact OG-N 3.11Å; E125-A128 PolarHBondContact O-N 3.49Å; E125-F129 HydrophobicContact CB-CE2 4.11Å; E125-F129 HydrophobicContact CB-CZ 4.17Å; E125-F129 HydrophobicContact CG-CZ 4.47Å; E125-F129 WeakPolarHBondContact O-CB 3.24Å; E125-F129 WeakPolarHBondContact O-CD1 3.32Å; E125-F129 WeakPolarHBondContact O-CD2 3.43Å; E125-F129 WeakPolarHBondContact O-CG 3.41Å; E125-F129 PolarHBondContact O-N 2.86Å; E125-K373 VanDerWaalsContact OE1-CD 3.28Å; E125-K373 WeakPolarHBondContact OE1-CD 3.34Å; E125-K373 WeakPolarHBondContact OE1-CE 3.41Å; E125-K373 IonicContact OE1-NZ 3.18Å; E125-K373 PolarHBondContact OE1-NZ 3.27Å; E125-K373 IonicContact OE2-NZ 2.81Å; E125-K373 PolarHBondContact OE2-NZ 3.43Å; E125-L374 HydrophobicContact CG-CD2 4.39Å
126K92Very high76.8Confident3 Ų340 Ų401%0.01321%0.214CC..Hα-helixtrans-57.5-51.4175.1-176.5-176.775.9-168.10111.1Y121 S122 E123 A128 F129 V130 T153 D154 L156 F157 L228Y121-K126 HydrophobicContact CE2-CD 4.4Å; S122-K126 PolarHBondContact O-N 2.83Å; E123-K126 WeakPolarHBondContact O-CB 3.41Å; E123-K126 PolarHBondContact O-N 3.38Å; E123-K126 IonicContact OE1-NZ 2.64Å; E123-K126 PolarHBondContact OE1-NZ 3.3Å; E123-K126 WeakPolarHBondContact OE2-CE 2.96Å; E123-K126 IonicContact OE2-NZ 3.48Å; E123-K126 PolarHBondContact OE2-NZ 3.09Å; K126-A128 VanDerWaalsContact C-N 3.34Å; K126-A128 PolarHBondContact O-N 3.27Å; K126-F129 PolarHBondContact O-N 2.94Å; K126-V130 HydrophobicContact CG-CG2 4.49Å; K126-V130 WeakPolarHBondContact O-CB 3.4Å; K126-V130 WeakPolarHBondContact O-CG2 3.32Å; K126-V130 PolarHBondContact O-N 3.01Å; K126-T153 WeakPolarHBondContact CE-O 3.44Å; K126-D154 IonicContact NZ-OD1 3.51Å; K126-D154 PolarHBondContact NZ-OD1 3.36Å; K126-L156 HydrophobicContact CG-CD2 4.02Å; K126-F157 HydrophobicContact CD-CE2 3.67Å; K126-F157 HydrophobicContact CD-CZ 3.75Å; K126-F157 HydrophobicContact CG-CZ 4.19Å; K126-L228 HydrophobicContact CB-CD1 4.37Å; K126-L228 HydrophobicContact CB-CD2 4.15Å
127Y90.5Very high79.9Confident82 Ų8237.6 Ų37.632%0.32219%0.187SC..Hα-helixtrans-58.3-46.7-179.1-175.3-84.9000111.6E123 E124 N131 P151 T363E123-Y127 WeakPolarHBondContact O-CB 3.35Å; E123-Y127 PolarHBondContact O-N 3.29Å; E124-Y127 PolarHBondContact O-N 3.42Å; Y127-N131 VanDerWaalsContact CD1-ND2 3.35Å; Y127-N131 WeakPolarHBondContact CD1-ND2 3.47Å; Y127-N131 WeakPolarHBondContact CE1-ND2 3.45Å; Y127-N131 PolarHBondContact O-N 3.38Å; Y127-N131 PolarHBondContact O-ND2 2.99Å; Y127-P151 HydrophobicContact CD2-CB 3.54Å; Y127-P151 HydrophobicContact CD2-CG 3.97Å; Y127-P151 HydrophobicContact CE2-CB 3.78Å; Y127-P151 HydrophobicContact CE2-CG 3.66Å; Y127-P151 HydrophobicContact CG-CB 4.04Å; Y127-T363 HydrophobicContact CD1-CG2 3.66Å; Y127-T363 HydrophobicContact CE1-CG2 3.52Å
128A89Confident82.9Confident4 Ų440.1 Ų40.13%0.03320%0.196CC..Hα-helixtrans-62.3-47.5178.100000112.5E124 E125 K126 N131 W132 F361 L374E124-A128 VanDerWaalsContact O-CB 3.32Å; E124-A128 WeakPolarHBondContact O-CB 3.19Å; E124-A128 PolarHBondContact O-N 3.38Å; E125-A128 PolarHBondContact O-N 3.49Å; K126-A128 VanDerWaalsContact C-N 3.34Å; K126-A128 PolarHBondContact O-N 3.27Å; A128-N131 PolarHBondContact O-N 3.5Å; A128-W132 WeakPolarHBondContact O-CB 3.35Å; A128-W132 PolarHBondContact O-N 2.73Å; A128-F361 WeakPolarHBondContact CB-O 3.44Å; A128-L374 HydrophobicContact CB-CD1 4.16Å; A128-L374 HydrophobicContact CB-CD2 3.59Å
129F93.6Very high85.7Confident0 Ų043 Ų430%021%0.214CC..Hα-helixtrans-68-40-178.2-62.2-13.5000111.9E125 K126 N131 W132 I133 L228 L231 W232 I235 L374E125-F129 HydrophobicContact CB-CE2 4.11Å; E125-F129 HydrophobicContact CB-CZ 4.17Å; E125-F129 HydrophobicContact CG-CZ 4.47Å; E125-F129 WeakPolarHBondContact O-CB 3.24Å; E125-F129 WeakPolarHBondContact O-CD1 3.32Å; E125-F129 WeakPolarHBondContact O-CD2 3.43Å; E125-F129 WeakPolarHBondContact O-CG 3.41Å; E125-F129 PolarHBondContact O-N 2.86Å; K126-F129 PolarHBondContact O-N 2.94Å; F129-N131 PolarHBondContact O-N 2.88Å; F129-W132 PolarHBondContact O-N 3.33Å; F129-I133 WeakPolarHBondContact O-CB 3.26Å; F129-I133 WeakPolarHBondContact O-CD1 3.4Å; F129-I133 WeakPolarHBondContact O-CG1 3.34Å; F129-I133 PolarHBondContact O-N 2.97Å; F129-L228 HydrophobicContact CD2-CD2 3.62Å; F129-L228 HydrophobicContact CE2-CB 4.4Å; F129-L228 HydrophobicContact CE2-CD2 4.09Å; F129-L231 HydrophobicContact CD2-CB 4.19Å; F129-W232 AromaticContact CE1-CE3 3.85Å; F129-W232 HydrophobicContact CE1-CE3 3.85Å; F129-W232 HydrophobicContact CE1-CZ3 4.46Å; F129-W232 HydrophobicContact CE2-CB 4.05Å; F129-W232 HydrophobicContact CZ-CB 3.8Å; F129-W232 HydrophobicContact CZ-CD2 4.32Å; F129-W232 AromaticContact CZ-CE3 3.73Å; F129-W232 HydrophobicContact CZ-CE3 3.73Å; F129-W232 HydrophobicContact CZ-CG 4.39Å; F129-I235 HydrophobicContact CB-CD1 4.39Å; F129-I235 HydrophobicContact CD1-CD1 3.57Å; F129-I235 HydrophobicContact CD2-CD1 4.44Å; F129-I235 HydrophobicContact CE1-CD1 3.94Å; F129-I235 HydrophobicContact CG-CD1 3.88Å; F129-L374 HydrophobicContact CE1-CD2 4.26Å
130V95.2Very high88.1Confident0 Ų040.1 Ų40.10%020%0.201CC..Hα-helixtrans-59.1-48.8175.51680000111.1K126 W132 I133 N134 M149 P151 L156K126-V130 HydrophobicContact CG-CG2 4.49Å; K126-V130 WeakPolarHBondContact O-CB 3.4Å; K126-V130 WeakPolarHBondContact O-CG2 3.32Å; K126-V130 PolarHBondContact O-N 3.01Å; V130-W132 VanDerWaalsContact C-N 3.3Å; V130-W132 PolarHBondContact O-N 2.91Å; V130-I133 PolarHBondContact O-N 3.13Å; V130-N134 VanDerWaalsContact O-CB 3.32Å; V130-N134 WeakPolarHBondContact O-CB 3.35Å; V130-N134 VanDerWaalsContact O-CG 3.25Å; V130-N134 PolarHBondContact O-N 2.86Å; V130-N134 PolarHBondContact O-ND2 3.47Å; V130-M149 HydrophobicContact CG1-CB 3.74Å; V130-M149 HydrophobicContact CG1-CE 4.4Å; V130-P151 HydrophobicContact CB-CB 3.86Å; V130-P151 HydrophobicContact CG1-CB 3.68Å; V130-P151 HydrophobicContact CG1-CG 4.45Å; V130-L156 HydrophobicContact CG2-CB 3.68Å; V130-L156 HydrophobicContact CG2-CD1 4.09Å; V130-L156 HydrophobicContact CG2-CD2 4.11Å; V130-L156 HydrophobicContact CG2-CG 4.16Å
131N91.8Very high90.2Very high60 Ų6042.4 Ų42.432%0.32122%0.215SC..Hα-helixtrans-63.1-39.1179.5-75-41.1000112.3Y127 A128 F129 K135Y127-N131 VanDerWaalsContact CD1-ND2 3.35Å; Y127-N131 WeakPolarHBondContact CD1-ND2 3.47Å; Y127-N131 WeakPolarHBondContact CE1-ND2 3.45Å; Y127-N131 PolarHBondContact O-N 3.38Å; Y127-N131 PolarHBondContact O-ND2 2.99Å; A128-N131 PolarHBondContact O-N 3.5Å; F129-N131 PolarHBondContact O-N 2.88Å; N131-K135 WeakPolarHBondContact O-CB 3.2Å; N131-K135 PolarHBondContact O-N 2.91Å; N131-K135 VanDerWaalsContact O-N 3.1Å
132W91.4Very high91.6Very high38 Ų3843 Ų4314%0.14422%0.22CC..Hα-helixtrans-65.9-46.6176-178.976.2000112.2A128 F129 V130 K135 A136 M169 I235 F361A128-W132 WeakPolarHBondContact O-CB 3.35Å; A128-W132 PolarHBondContact O-N 2.73Å; F129-W132 PolarHBondContact O-N 3.33Å; V130-W132 VanDerWaalsContact C-N 3.3Å; V130-W132 PolarHBondContact O-N 2.91Å; W132-K135 PolarHBondContact O-N 2.88Å; W132-A136 VanDerWaalsContact O-CB 3.29Å; W132-A136 WeakPolarHBondContact O-CB 3.27Å; W132-A136 PolarHBondContact O-N 3.47Å; W132-M169 HydrophobicContact CE3-CE 3.62Å; W132-M169 HydrophobicContact CH2-CE 3.19Å; W132-M169 HydrophobicContact CZ2-CE 4.15Å; W132-M169 HydrophobicContact CZ3-CE 2.86Å; W132-I235 HydrophobicContact CE3-CD1 3.69Å; W132-I235 HydrophobicContact CE3-CG1 3.69Å; W132-I235 HydrophobicContact CH2-CG1 3.77Å; W132-I235 HydrophobicContact CZ3-CB 4.43Å; W132-I235 HydrophobicContact CZ3-CD1 3.73Å; W132-I235 HydrophobicContact CZ3-CG1 3.23Å; W132-F361 HydrophobicContact CB-CE1 4.08Å; W132-F361 AromaticContact CD1-CE1 3.65Å; W132-F361 AromaticContact CD1-CE2 3.85Å; W132-F361 AromaticContact CD1-CZ 3.23Å; W132-F361 HydrophobicContact CD2-CE1 4.09Å; W132-F361 HydrophobicContact CD2-CZ 4.15Å; W132-F361 AromaticContact CE2-CZ 3.96Å; W132-F361 AromaticContact CG-CE1 3.66Å; W132-F361 HydrophobicContact CG-CE1 3.66Å; W132-F361 AromaticContact CG-CZ 3.74Å; W132-F361 HydrophobicContact CG-CZ 3.74Å; W132-F361 AromaticContact NE1-CZ 3.38Å
133I95.5Very high92.3Very high0 Ų042.3 Ų42.30%022%0.215CC..Hα-helixtrans-62-46.1177.4-66163000110.6F129 V130 K135 A136 L137 I147 M149 L156 V165 M169 L231F129-I133 WeakPolarHBondContact O-CB 3.26Å; F129-I133 WeakPolarHBondContact O-CD1 3.4Å; F129-I133 WeakPolarHBondContact O-CG1 3.34Å; F129-I133 PolarHBondContact O-N 2.97Å; V130-I133 PolarHBondContact O-N 3.13Å; I133-K135 PolarHBondContact O-N 3.29Å; I133-A136 PolarHBondContact O-N 3.49Å; I133-L137 HydrophobicContact CG2-CD1 3.93Å; I133-L137 HydrophobicContact CG2-CG 4.4Å; I133-L137 WeakPolarHBondContact O-CB 3.18Å; I133-L137 PolarHBondContact O-N 3.26Å; I133-I147 HydrophobicContact CG2-CD1 3.91Å; I133-M149 HydrophobicContact CB-CE 3.74Å; I133-M149 HydrophobicContact CD1-CE 4.2Å; I133-M149 HydrophobicContact CG2-CE 3.45Å; I133-M149 VanDerWaalsContact CG2-CE 3.45Å; I133-L156 HydrophobicContact CD1-CD1 3.71Å; I133-V165 HydrophobicContact CG2-CG1 3.97Å; I133-M169 HydrophobicContact CG1-CE 4.03Å; I133-M169 HydrophobicContact CG1-CG 4.46Å; I133-M169 HydrophobicContact CG1-SD 4.21Å; I133-M169 HydrophobicContact CG2-SD 4.16Å; I133-L231 HydrophobicContact CD1-CD1 4.17Å; I133-L231 HydrophobicContact CD1-CD2 4.19Å
134N95.6Very high93Very high23 Ų2348.3 Ų48.312%0.12324%0.235CC..Hα-helixtrans-55.4-42.5177-79-16.3000111.5V130 E138 P148 M149V130-N134 VanDerWaalsContact O-CB 3.32Å; V130-N134 WeakPolarHBondContact O-CB 3.35Å; V130-N134 VanDerWaalsContact O-CG 3.25Å; V130-N134 PolarHBondContact O-N 2.86Å; V130-N134 PolarHBondContact O-ND2 3.47Å; N134-E138 WeakPolarHBondContact O-CA 3.41Å; N134-E138 VanDerWaalsContact O-CB 3.27Å; N134-E138 WeakPolarHBondContact O-CB 3.47Å; N134-E138 PolarHBondContact O-N 3.26Å; N134-E138 VanDerWaalsContact O-N 3.15Å; N134-P148 WeakPolarHBondContact OD1-CA 3.28Å; N134-M149 PolarHBondContact ND2-N 3.29Å; N134-M149 PolarHBondContact ND2-O 2.94Å; N134-M149 PolarHBondContact OD1-N 2.8Å
135K92.3Very high93.4Very high109 Ų10950.2 Ų50.247%0.47424%0.244SC..Hα-helixtrans-72.5-43.3178.6-175.361.7-169.6159.40112.4N131 W132 I133 E138N131-K135 WeakPolarHBondContact O-CB 3.2Å; N131-K135 PolarHBondContact O-N 2.91Å; N131-K135 VanDerWaalsContact O-N 3.1Å; W132-K135 PolarHBondContact O-N 2.88Å; I133-K135 PolarHBondContact O-N 3.29Å; K135-E138 WeakPolarHBondContact CD-OE2 3.36Å; K135-E138 IonicContact NZ-OE1 3.68Å; K135-E138 PolarHBondContact NZ-OE1 3.14Å; K135-E138 IonicContact NZ-OE2 3.42Å; K135-E138 PolarHBondContact NZ-OE2 3.29Å
136A93.1Very high93.8Very high40 Ų4050.5 Ų50.533%0.33125%0.247SC..Hα-helixtrans-70-33.2-176.100000112.8W132 I133 M169 L172W132-A136 VanDerWaalsContact O-CB 3.29Å; W132-A136 WeakPolarHBondContact O-CB 3.27Å; W132-A136 PolarHBondContact O-N 3.47Å; I133-A136 PolarHBondContact O-N 3.49Å; A136-M169 HydrophobicContact CB-CE 4.25Å; A136-L172 HydrophobicContact CB-CD1 3.81Å
137L95.9Very high94Very high7 Ų751.5 Ų51.54%0.03725%0.252CS..THydrogen-bonded Turntrans-107.514.7-178.8-60.8-175.8000113.5I133 N139 D140 C143 I147 V165 K168 M169 L172I133-L137 HydrophobicContact CG2-CD1 3.93Å; I133-L137 HydrophobicContact CG2-CG 4.4Å; I133-L137 WeakPolarHBondContact O-CB 3.18Å; I133-L137 PolarHBondContact O-N 3.26Å; L137-N139 PolarHBondContact O-N 2.81Å; L137-D140 HydrophobicContact CB-CB 4.26Å; L137-D140 HydrophobicContact CD2-CB 4.18Å; L137-D140 PolarHBondContact O-N 3.01Å; L137-C143 HydrophobicContact CD1-CB 4.33Å; L137-I147 HydrophobicContact CB-CG1 4.28Å; L137-V165 HydrophobicContact CD1-CG1 4.23Å; L137-K168 HydrophobicContact CD1-CB 4.13Å; L137-K168 HydrophobicContact CD2-CB 3.92Å; L137-M169 HydrophobicContact CD1-SD 3.51Å; L137-M169 VanDerWaalsContact CD1-SD 3.51Å; L137-M169 HydrophobicContact CD2-SD 4.19Å; L137-M169 HydrophobicContact CG-SD 3.79Å; L137-L172 HydrophobicContact CD2-CD1 3.51Å; L137-L172 HydrophobicContact CG-CD1 4.24Å
138E95.2Very high94.3Very high97 Ų9752.7 Ų52.745%0.45327%0.27SS..THydrogen-bonded Turntrans-55.6-32.3-174.473.3-173176.500113.1N134 K135N134-E138 WeakPolarHBondContact O-CA 3.41Å; N134-E138 VanDerWaalsContact O-CB 3.27Å; N134-E138 WeakPolarHBondContact O-CB 3.47Å; N134-E138 PolarHBondContact O-N 3.26Å; N134-E138 VanDerWaalsContact O-N 3.15Å; K135-E138 WeakPolarHBondContact CD-OE2 3.36Å; K135-E138 IonicContact NZ-OE1 3.68Å; K135-E138 PolarHBondContact NZ-OE1 3.14Å; K135-E138 IonicContact NZ-OE2 3.42Å; K135-E138 PolarHBondContact NZ-OE2 3.29Å
139N95.1Very high94.7Very high131 Ų13152.9 Ų52.970%0.70127%0.271SS*.THydrogen-bonded Turntrans-106.51.6-177.8-64.1-49.9000113.6L137L137-N139 PolarHBondContact O-N 2.81Å
140D96.3Very high94.7Very high29 Ų2956.1 Ų56.116%0.15529%0.288CS..  trans-73.8122.3-177.8-171.1-72.1000110.4L137 D142 C143 R144 K168L137-D140 HydrophobicContact CB-CB 4.26Å; L137-D140 HydrophobicContact CD2-CB 4.18Å; L137-D140 PolarHBondContact O-N 3.01Å; D140-D142 VanDerWaalsContact C-N 3.28Å; D140-D142 PolarHBondContact O-N 3.29Å; D140-D142 WeakPolarHBondContact OD1-CA 3.37Å; D140-D142 WeakPolarHBondContact OD1-CB 3.3Å; D140-D142 PolarHBondContact OD1-N 3.16Å; D140-C143 HydrophobicContact CB-CB 4.44Å; D140-C143 PolarHBondContact O-N 3.09Å; D140-C143 PolarHBondContact OD1-N 2.99Å; D140-R144 WeakPolarHBondContact O-CG 3.49Å; D140-K168 IonicContact OD1-NZ 2.96Å; D140-K168 PolarHBondContact OD1-NZ 3.47Å; D140-K168 WeakPolarHBondContact OD2-CD 3.31Å; D140-K168 WeakPolarHBondContact OD2-CE 3.38Å; D140-K168 IonicContact OD2-NZ 3.04Å; D140-K168 PolarHBondContact OD2-NZ 2.85Å
141P95.4Very high94.6Very high79 Ų7957 Ų5751%0.51329%0.293SS..THydrogen-bonded Turntrans-68.4-25.8-175.828.1-35000113.6
142D95.4Very high94.5Very high35 Ų3559.6 Ų59.619%0.18731%0.308CS..THydrogen-bonded Turntrans-84.9-15.5-175-54.5-48.1000112.5D140 H145 I164 K168 K185D140-D142 VanDerWaalsContact C-N 3.28Å; D140-D142 PolarHBondContact O-N 3.29Å; D140-D142 WeakPolarHBondContact OD1-CA 3.37Å; D140-D142 WeakPolarHBondContact OD1-CB 3.3Å; D140-D142 PolarHBondContact OD1-N 3.16Å; D142-H145 PolarHBondContact O-CE1 3.03Å; D142-H145 PolarHBondContact O-ND1 3.39Å; D142-I164 HydrophobicContact CB-CG2 4.18Å; D142-K168 VanDerWaalsContact OD2-CE 3.27Å; D142-K168 WeakPolarHBondContact OD2-CE 3.42Å; D142-K168 IonicContact OD2-NZ 3.3Å; D142-K168 PolarHBondContact OD2-NZ 3.37Å; D142-K185 HydrophobicContact CB-CD 4.48Å; D142-K185 VanDerWaalsContact CG-NZ 3.29Å; D142-K185 WeakPolarHBondContact OD1-CD 3.47Å; D142-K185 IonicContact OD1-NZ 3.36Å; D142-K185 PolarHBondContact OD1-NZ 3.35Å; D142-K185 WeakPolarHBondContact OD2-CE 3.19Å; D142-K185 IonicContact OD2-NZ 3.82Å; D142-K185 PolarHBondContact OD2-NZ 2.9Å
143C95.7Very high94.6Very high0 Ų060.1 Ų60.10%032%0.315CS..SBendtrans-104.63.7179.7-65.20000114L137 D140 H145 V146 I147L137-C143 HydrophobicContact CD1-CB 4.33Å; D140-C143 HydrophobicContact CB-CB 4.44Å; D140-C143 PolarHBondContact O-N 3.09Å; D140-C143 PolarHBondContact OD1-N 2.99Å; C143-H145 PolarHBondContact O-N 3.46Å; C143-H145 VanDerWaalsContact O-N 3.09Å; C143-V146 HydrophobicContact CB-CG2 4.41Å; C143-V146 VanDerWaalsContact O-CG2 3.32Å; C143-V146 WeakPolarHBondContact O-CG2 3.48Å; C143-V146 PolarHBondContact O-N 3.32Å; C143-I147 HydrophobicContact CB-CG1 3.82Å; C143-I147 WeakPolarHBondContact O-CG1 3.31Å; C143-I147 PolarHBondContact O-N 3.49Å
144R93.9Very high94.5Very high183 Ų18363.9 Ų63.969%0.69134%0.335SS*.THydrogen-bonded Turntrans-59.9-21.8-177.7-68.5-177.8179.31763114.8D140 V146D140-R144 WeakPolarHBondContact O-CG 3.49Å; R144-V146 VanDerWaalsContact C-N 3.27Å
145H93Very high94.5Very high109 Ų10965.7 Ų65.751%0.50535%0.345SS..THydrogen-bonded Turntrans-75.9-15.3177.962.3-62000113.3D142 C143 D162D142-H145 PolarHBondContact O-CE1 3.03Å; D142-H145 PolarHBondContact O-ND1 3.39Å; C143-H145 PolarHBondContact O-N 3.46Å; C143-H145 VanDerWaalsContact O-N 3.09Å; H145-D162 IonicContact CD2-OD2 2.81Å; H145-D162 IonicContact CE1-OD2 3.34Å; H145-D162 IonicContact NE2-OD2 2.78Å; H145-D162 PolarHBondContact NE2-OD2 3.49Å
146V94.9Very high94.7Very high32 Ų3260.5 Ų60.519%0.19432%0.322CS..THydrogen-bonded Turntrans-126-19-178.2-68.20000114C143 R144 P148 M149 A159 V165C143-V146 HydrophobicContact CB-CG2 4.41Å; C143-V146 VanDerWaalsContact O-CG2 3.32Å; C143-V146 WeakPolarHBondContact O-CG2 3.48Å; C143-V146 PolarHBondContact O-N 3.32Å; R144-V146 VanDerWaalsContact C-N 3.27Å; V146-P148 CarbonylContact O-C 3.03Å; V146-M149 WeakPolarHBondContact O-CG 3.47Å; V146-M149 PolarHBondContact O-N 2.89Å; V146-A159 HydrophobicContact CB-CB 3.81Å; V146-A159 HydrophobicContact CG1-CB 3.97Å; V146-A159 HydrophobicContact CG2-CB 4.28Å; V146-V165 HydrophobicContact CG2-CG2 3.75Å
147I95.4Very high94.9Very high23 Ų2359.1 Ų59.112%0.11831%0.309CS..PPolyproline II helixtrans-98.5132.3178.1-56.5-59000110.4I133 L137 C143 M149I133-I147 HydrophobicContact CG2-CD1 3.91Å; L137-I147 HydrophobicContact CB-CG1 4.28Å; C143-I147 HydrophobicContact CB-CG1 3.82Å; C143-I147 WeakPolarHBondContact O-CG1 3.31Å; C143-I147 PolarHBondContact O-N 3.49Å; I147-M149 HydrophobicContact CD1-CE 3.7Å; I147-M149 HydrophobicContact CD1-CG 4.3Å
148P96.6Very high94.9Very high108 Ų10866.5 Ų66.570%0.70134%0.341SS*.SBendcis-82.9138.2-0.133-33.9000113.3N134 V146N134-P148 WeakPolarHBondContact OD1-CA 3.28Å; V146-P148 CarbonylContact O-C 3.03Å
149M97Very high94.9Very high7 Ų762.1 Ų62.13%0.03432%0.321CS..PPolyproline II helixtrans-80.3149.4169.9-61.9172.8-75.200110.8V130 I133 N134 V146 I147 P151 D155 L156 A159V130-M149 HydrophobicContact CG1-CB 3.74Å; V130-M149 HydrophobicContact CG1-CE 4.4Å; I133-M149 HydrophobicContact CB-CE 3.74Å; I133-M149 HydrophobicContact CD1-CE 4.2Å; I133-M149 HydrophobicContact CG2-CE 3.45Å; I133-M149 VanDerWaalsContact CG2-CE 3.45Å; N134-M149 PolarHBondContact ND2-N 3.29Å; N134-M149 PolarHBondContact ND2-O 2.94Å; N134-M149 PolarHBondContact OD1-N 2.8Å; V146-M149 WeakPolarHBondContact O-CG 3.47Å; V146-M149 PolarHBondContact O-N 2.89Å; I147-M149 HydrophobicContact CD1-CE 3.7Å; I147-M149 HydrophobicContact CD1-CG 4.3Å; M149-P151 WeakPolarHBondContact O-CD 3.37Å; M149-D155 HydrophobicContact CB-CB 4.01Å; M149-D155 HydrophobicContact CG-CB 4.38Å; M149-L156 HydrophobicContact CE-CD1 4.17Å; M149-L156 HydrophobicContact SD-CB 4.46Å; M149-L156 HydrophobicContact SD-CD1 3.98Å; M149-A159 HydrophobicContact CG-CB 4.07Å; M149-A159 HydrophobicContact SD-CB 3.46Å; M149-A159 WeakPolarHBondContact SD-CB 3.4Å
150N95.1Very high95Very high69 Ų6955.9 Ų55.937%0.36929%0.287SS..PPolyproline II helixtrans-82.1120.5170.6-176-11.4000110.7N152 T153 D155N150-N152 PolarHBondContact O-N 3.08Å; N150-N152 PolarHBondContact OD1-N 2.9Å; N150-N152 PolarHBondContact OD1-ND2 3.22Å; N150-T153 HydrophobicContact CB-CG2 4.2Å; N150-T153 PolarHBondContact O-N 3.42Å; N150-T153 PolarHBondContact O-OG1 2.95Å; N150-D155 WeakPolarHBondContact CB-OD2 3.39Å; N150-D155 PolarHBondContact N-OD2 2.98Å
151P91.6Very high95Very high17 Ų1755 Ų5511%0.1129%0.285CS..THydrogen-bonded Turntrans-69.7-14.5-178.229.9-37.4000114Y127 V130 M149Y127-P151 HydrophobicContact CD2-CB 3.54Å; Y127-P151 HydrophobicContact CD2-CG 3.97Å; Y127-P151 HydrophobicContact CE2-CB 3.78Å; Y127-P151 HydrophobicContact CE2-CG 3.66Å; Y127-P151 HydrophobicContact CG-CB 4.04Å; V130-P151 HydrophobicContact CB-CB 3.86Å; V130-P151 HydrophobicContact CG1-CB 3.68Å; V130-P151 HydrophobicContact CG1-CG 4.45Å; M149-P151 WeakPolarHBondContact O-CD 3.37Å
152N90.3Very high95Very high116 Ų11652 Ų5262%0.6227%0.265SS*.THydrogen-bonded Turntrans-93.62.6179.4-54.3-74.1000113.3N150N150-N152 PolarHBondContact O-N 3.08Å; N150-N152 PolarHBondContact OD1-N 2.9Å; N150-N152 PolarHBondContact OD1-ND2 3.22Å
153T93Very high95.1Very high48 Ų4850.3 Ų50.329%0.29426%0.256SS..THydrogen-bonded Turntrans-123.6178.517965.80000110.7K126 N150 D155K126-T153 WeakPolarHBondContact CE-O 3.44Å; N150-T153 HydrophobicContact CB-CG2 4.2Å; N150-T153 PolarHBondContact O-N 3.42Å; N150-T153 PolarHBondContact O-OG1 2.95Å; T153-D155 PolarHBondContact O-N 3.47Å; T153-D155 PolarHBondContact OG1-N 2.92Å; T153-D155 PolarHBondContact OG1-OD1 3.09Å; T153-D155 PolarHBondContact OG1-OD2 2.75Å
154D92.9Very high95.3Very high79 Ų7950.5 Ų50.542%0.42226%0.256SS..THydrogen-bonded Turntrans-84.520.2176.4-65.9-15.2000112.9K126 L156 F157 K158K126-D154 IonicContact NZ-OD1 3.51Å; K126-D154 PolarHBondContact NZ-OD1 3.36Å; D154-L156 PolarHBondContact O-N 3.02Å; D154-F157 HydrophobicContact CB-CD2 3.83Å; D154-F157 HydrophobicContact CB-CE2 4.49Å; D154-F157 PolarHBondContact O-N 2.95Å; D154-F157 VanDerWaalsContact O-N 3.13Å; D154-K158 PolarHBondContact O-N 3.43Å
155D96.7Very high95.4Very high61 Ų6141.8 Ų41.833%0.32622%0.224SC..Hα-helixtrans-56.6-37.9-179.6-72.85.1000111.1M149 N150 T153 F157 K158 A159M149-D155 HydrophobicContact CB-CB 4.01Å; M149-D155 HydrophobicContact CG-CB 4.38Å; N150-D155 WeakPolarHBondContact CB-OD2 3.39Å; N150-D155 PolarHBondContact N-OD2 2.98Å; T153-D155 PolarHBondContact O-N 3.47Å; T153-D155 PolarHBondContact OG1-N 2.92Å; T153-D155 PolarHBondContact OG1-OD1 3.09Å; T153-D155 PolarHBondContact OG1-OD2 2.75Å; D155-F157 VanDerWaalsContact C-N 3.31Å; D155-F157 PolarHBondContact O-N 3.04Å; D155-K158 PolarHBondContact O-N 3.38Å; D155-A159 VanDerWaalsContact O-CB 3.24Å; D155-A159 WeakPolarHBondContact O-CB 3.44Å; D155-A159 PolarHBondContact O-N 3.24Å
156L96.9Very high95.7Very high0 Ų036.6 Ų36.60%020%0.2CC..Hα-helixtrans-52-49.7176.4-178.562.3000112.2K126 V130 I133 M149 D154 K158 A159 V160 L228 L231K126-L156 HydrophobicContact CG-CD2 4.02Å; V130-L156 HydrophobicContact CG2-CB 3.68Å; V130-L156 HydrophobicContact CG2-CD1 4.09Å; V130-L156 HydrophobicContact CG2-CD2 4.11Å; V130-L156 HydrophobicContact CG2-CG 4.16Å; I133-L156 HydrophobicContact CD1-CD1 3.71Å; M149-L156 HydrophobicContact CE-CD1 4.17Å; M149-L156 HydrophobicContact SD-CB 4.46Å; M149-L156 HydrophobicContact SD-CD1 3.98Å; D154-L156 PolarHBondContact O-N 3.02Å; L156-K158 VanDerWaalsContact C-N 3.26Å; L156-K158 PolarHBondContact O-N 3.31Å; L156-A159 PolarHBondContact O-N 2.91Å; L156-V160 HydrophobicContact CD1-CG1 4.28Å; L156-V160 PolarHBondContact O-N 3.31Å; L156-V160 VanDerWaalsContact O-N 3.13Å; L156-L228 HydrophobicContact CD2-CD2 3.62Å; L156-L231 HydrophobicContact CD1-CD1 3.92Å; L156-L231 HydrophobicContact CD2-CD1 4.06Å; L156-L231 HydrophobicContact CG-CD1 4.31Å
157F95.9Very high95.9Very high12 Ų1235.1 Ų35.15%0.05319%0.191CC..Hα-helixtrans-68.6-28.7-173.2-57.3-48.2000112.2Y121 K126 D154 D155 V160 G222 P224 V227 L228Y121-F157 HydrophobicContact CD2-CZ 4.18Å; Y121-F157 HydrophobicContact CE2-CE2 4.05Å; Y121-F157 AromaticContact CE2-CZ 3.83Å; Y121-F157 HydrophobicContact CE2-CZ 3.83Å; K126-F157 HydrophobicContact CD-CE2 3.67Å; K126-F157 HydrophobicContact CD-CZ 3.75Å; K126-F157 HydrophobicContact CG-CZ 4.19Å; D154-F157 HydrophobicContact CB-CD2 3.83Å; D154-F157 HydrophobicContact CB-CE2 4.49Å; D154-F157 PolarHBondContact O-N 2.95Å; D154-F157 VanDerWaalsContact O-N 3.13Å; D155-F157 VanDerWaalsContact C-N 3.31Å; D155-F157 PolarHBondContact O-N 3.04Å; F157-V160 WeakPolarHBondContact O-CG2 3.21Å; F157-G222 WeakPolarHBondContact CB-O 3.31Å; F157-G222 VanDerWaalsContact O-CA 3.32Å; F157-G222 WeakPolarHBondContact O-CA 3.3Å; F157-P224 HydrophobicContact CD1-CB 4.26Å; F157-P224 HydrophobicContact CD1-CG 4.39Å; F157-P224 HydrophobicContact CD2-CB 4.46Å; F157-P224 HydrophobicContact CD2-CG 4.07Å; F157-P224 VanDerWaalsContact CE1-CA 3.44Å; F157-P224 HydrophobicContact CE1-CB 3.71Å; F157-P224 HydrophobicContact CE1-CG 4.27Å; F157-P224 HydrophobicContact CE2-CB 3.91Å; F157-P224 HydrophobicContact CE2-CG 3.91Å; F157-P224 HydrophobicContact CG-CG 4.33Å; F157-P224 HydrophobicContact CZ-CB 3.52Å; F157-P224 HydrophobicContact CZ-CG 4.02Å; F157-V227 HydrophobicContact CD1-CB 4.02Å; F157-V227 HydrophobicContact CD1-CG1 3.96Å; F157-V227 HydrophobicContact CD1-CG2 4.39Å; F157-V227 HydrophobicContact CE1-CB 4.3Å; F157-V227 HydrophobicContact CE1-CG1 4.27Å; F157-L228 HydrophobicContact CE1-CD1 4.28Å; F157-L228 HydrophobicContact CE1-CD2 4.3Å; F157-L228 HydrophobicContact CE1-CG 3.97Å; F157-L228 HydrophobicContact CZ-CD1 4.15Å; F157-L228 HydrophobicContact CZ-CG 4.32Å
158K95.8Very high96Very high162 Ų16234.3 Ų34.370%0.70419%0.186SC*.Hα-helixtrans-79-42.1172.2-63.8175-174.9167.90111.6D154 D155 L156 V160 G161D154-K158 PolarHBondContact O-N 3.43Å; D155-K158 PolarHBondContact O-N 3.38Å; L156-K158 VanDerWaalsContact C-N 3.26Å; L156-K158 PolarHBondContact O-N 3.31Å; K158-V160 VanDerWaalsContact C-N 3.3Å; K158-V160 PolarHBondContact O-N 3.31Å; K158-G161 PolarHBondContact O-N 3.35Å
159A96.8Very high96.1Very high4 Ų429.2 Ų29.23%0.03315%0.153CC..Hα-helixtrans-64.5-31.7-175.300000113.3V146 M149 D155 L156 G161V146-A159 HydrophobicContact CB-CB 3.81Å; V146-A159 HydrophobicContact CG1-CB 3.97Å; V146-A159 HydrophobicContact CG2-CB 4.28Å; M149-A159 HydrophobicContact CG-CB 4.07Å; M149-A159 HydrophobicContact SD-CB 3.46Å; M149-A159 WeakPolarHBondContact SD-CB 3.4Å; D155-A159 VanDerWaalsContact O-CB 3.24Å; D155-A159 WeakPolarHBondContact O-CB 3.44Å; D155-A159 PolarHBondContact O-N 3.24Å; L156-A159 PolarHBondContact O-N 2.91Å; A159-G161 VanDerWaalsContact C-N 3.3Å
160V96.7Very high96.1Very high0 Ų029 Ų290%015%0.152CC..G310 helixtrans-78.5-13.8175.3-60.90000113.6L156 F157 K158 D162 G163 V165 L166 V227 L231L156-V160 HydrophobicContact CD1-CG1 4.28Å; L156-V160 PolarHBondContact O-N 3.31Å; L156-V160 VanDerWaalsContact O-N 3.13Å; F157-V160 WeakPolarHBondContact O-CG2 3.21Å; K158-V160 VanDerWaalsContact C-N 3.3Å; K158-V160 PolarHBondContact O-N 3.31Å; V160-D162 PolarHBondContact O-N 2.98Å; V160-G163 PolarHBondContact O-N 3.41Å; V160-V165 HydrophobicContact CG1-CG1 4.46Å; V160-L166 HydrophobicContact CB-CD1 4.26Å; V160-L166 HydrophobicContact CB-CD2 4.42Å; V160-L166 HydrophobicContact CB-CG 4.09Å; V160-L166 HydrophobicContact CG1-CD2 4.2Å; V160-L166 HydrophobicContact CG1-CG 4.29Å; V160-V227 HydrophobicContact CG1-CG1 4.18Å; V160-V227 HydrophobicContact CG2-CB 4.47Å; V160-V227 HydrophobicContact CG2-CG1 3.76Å; V160-V227 HydrophobicContact CG2-CG2 3.79Å; V160-L231 HydrophobicContact CG1-CD1 4.49Å
161G96.2Very high96.2Very high10 Ų1026.8 Ų26.810%0.10314%0.14CC..G310 helixtrans-67.6-17.9-168.700000114.9K158 A159 I193K158-G161 PolarHBondContact O-N 3.35Å; A159-G161 VanDerWaalsContact C-N 3.3Å; G161-I193 WeakPolarHBondContact O-CG2 3.31Å
162D96Very high96.4Very high17 Ų1730 Ų309%0.09116%0.156CC..G310 helixtrans-91.6-6.6173.368.116.7000114.4H145 V160 I164 L188 N196H145-D162 IonicContact CD2-OD2 2.81Å; H145-D162 IonicContact CE1-OD2 3.34Å; H145-D162 IonicContact NE2-OD2 2.78Å; H145-D162 PolarHBondContact NE2-OD2 3.49Å; V160-D162 PolarHBondContact O-N 2.98Å; D162-I164 VanDerWaalsContact C-N 3.28Å; D162-I164 PolarHBondContact O-N 2.9Å; D162-I164 WeakPolarHBondContact OD1-CB 3.2Å; D162-I164 PolarHBondContact OD1-N 2.97Å; D162-L188 HydrophobicContact CB-CD1 3.88Å; D162-N196 WeakPolarHBondContact O-CB 3.39Å; D162-N196 PolarHBondContact O-ND2 3.22Å
163G97.5Very high96.7Very high0 Ų024.9 Ų24.90%013%0.129CC..SBendtrans76.5-5.4-179.600000116.4V160 C167 L197V160-G163 PolarHBondContact O-N 3.41Å; G163-C167 PolarHBondContact O-N 3.13Å; G163-C167 VanDerWaalsContact O-N 3.09Å; G163-C167 PolarHBondContact O-SG 3.13Å; G163-L197 VanDerWaalsContact CA-CD2 3.47Å
164I98.1Very high96.8Very high3 Ų324.8 Ų24.82%0.01513%0.128CC..Hα-helixtrans-68.3-50.6-176.7-61.4176.9000110.2D142 D162 L166 C167 K168 I183 L188D142-I164 HydrophobicContact CB-CG2 4.18Å; D162-I164 VanDerWaalsContact C-N 3.28Å; D162-I164 PolarHBondContact O-N 2.9Å; D162-I164 WeakPolarHBondContact OD1-CB 3.2Å; D162-I164 PolarHBondContact OD1-N 2.97Å; I164-L166 VanDerWaalsContact C-N 3.29Å; I164-L166 PolarHBondContact O-N 2.95Å; I164-C167 PolarHBondContact O-N 2.79Å; I164-C167 VanDerWaalsContact O-N 3.17Å; I164-K168 HydrophobicContact CG2-CG 4.44Å; I164-K168 WeakPolarHBondContact O-CG 3.46Å; I164-K168 PolarHBondContact O-N 2.82Å; I164-I183 HydrophobicContact CG1-CG2 4.15Å; I164-L188 HydrophobicContact CD1-CD1 4.25Å
165V98.1Very high96.9Very high0 Ų025.6 Ų25.60%014%0.138CC..Hα-helixtrans-56-46.1178.7175.20000110.5I133 L137 V146 V160 C167 K168 M169I133-V165 HydrophobicContact CG2-CG1 3.97Å; L137-V165 HydrophobicContact CD1-CG1 4.23Å; V146-V165 HydrophobicContact CG2-CG2 3.75Å; V160-V165 HydrophobicContact CG1-CG1 4.46Å; V165-C167 PolarHBondContact O-N 2.67Å; V165-K168 PolarHBondContact O-N 2.84Å; V165-M169 HydrophobicContact CG1-CG 4.18Å; V165-M169 VanDerWaalsContact O-CG 3.24Å; V165-M169 WeakPolarHBondContact O-CG 3.37Å; V165-M169 PolarHBondContact O-N 3.34Å
166L98.3Very high96.7Very high1 Ų128 Ų281%0.00515%0.151CC..Hα-helixtrans-61.5-44179.2-67.3173.5000112.3V160 I164 K168 M169 I170 L197 A200 L219 L230 L231V160-L166 HydrophobicContact CB-CD1 4.26Å; V160-L166 HydrophobicContact CB-CD2 4.42Å; V160-L166 HydrophobicContact CB-CG 4.09Å; V160-L166 HydrophobicContact CG1-CD2 4.2Å; V160-L166 HydrophobicContact CG1-CG 4.29Å; I164-L166 VanDerWaalsContact C-N 3.29Å; I164-L166 PolarHBondContact O-N 2.95Å; L166-K168 VanDerWaalsContact C-N 3.31Å; L166-K168 PolarHBondContact O-N 3.05Å; L166-M169 PolarHBondContact O-N 3.04Å; L166-I170 WeakPolarHBondContact O-CD1 3.23Å; L166-I170 VanDerWaalsContact O-CG1 3.27Å; L166-I170 WeakPolarHBondContact O-CG1 3.37Å; L166-I170 PolarHBondContact O-N 3.15Å; L166-L197 HydrophobicContact CD1-CD2 4.19Å; L166-A200 HydrophobicContact CB-CB 3.82Å; L166-A200 HydrophobicContact CD1-CB 4.46Å; L166-L219 HydrophobicContact CD1-CD1 3.78Å; L166-L219 HydrophobicContact CD1-CD2 4.48Å; L166-L230 HydrophobicContact CD2-CD2 4.49Å; L166-L231 HydrophobicContact CD2-CD2 3.8Å; L166-L231 HydrophobicContact CD2-CG 4.26Å
167C98.6Very high96.7Very high0 Ų028.9 Ų28.90%016%0.156CC..Hα-helixtrans-60.4-42176.4-68.10000111.8G163 I164 V165 I170 N171 I178 I183G163-C167 PolarHBondContact O-N 3.13Å; G163-C167 VanDerWaalsContact O-N 3.09Å; G163-C167 PolarHBondContact O-SG 3.13Å; I164-C167 PolarHBondContact O-N 2.79Å; I164-C167 VanDerWaalsContact O-N 3.17Å; V165-C167 PolarHBondContact O-N 2.67Å; C167-I170 PolarHBondContact O-N 2.87Å; C167-N171 PolarHBondContact O-N 3.16Å; C167-I178 HydrophobicContact CB-CD1 3.79Å; C167-I183 HydrophobicContact CB-CD1 3.62Å; C167-I183 HydrophobicContact CB-CG1 4.1Å
168K98.1Very high96.8Very high7 Ų728.4 Ų28.43%0.0316%0.155CC..Hα-helixtrans-66.9-41.8178.1-66.2-68.7-172.5153.20112.2L137 D140 D142 I164 V165 L166 I170 N171 L172 E180L137-K168 HydrophobicContact CD1-CB 4.13Å; L137-K168 HydrophobicContact CD2-CB 3.92Å; D140-K168 IonicContact OD1-NZ 2.96Å; D140-K168 PolarHBondContact OD1-NZ 3.47Å; D140-K168 WeakPolarHBondContact OD2-CD 3.31Å; D140-K168 WeakPolarHBondContact OD2-CE 3.38Å; D140-K168 IonicContact OD2-NZ 3.04Å; D140-K168 PolarHBondContact OD2-NZ 2.85Å; D142-K168 VanDerWaalsContact OD2-CE 3.27Å; D142-K168 WeakPolarHBondContact OD2-CE 3.42Å; D142-K168 IonicContact OD2-NZ 3.3Å; D142-K168 PolarHBondContact OD2-NZ 3.37Å; I164-K168 HydrophobicContact CG2-CG 4.44Å; I164-K168 WeakPolarHBondContact O-CG 3.46Å; I164-K168 PolarHBondContact O-N 2.82Å; V165-K168 PolarHBondContact O-N 2.84Å; L166-K168 VanDerWaalsContact C-N 3.31Å; L166-K168 PolarHBondContact O-N 3.05Å; K168-I170 VanDerWaalsContact C-N 3.3Å; K168-I170 PolarHBondContact O-N 3.22Å; K168-N171 PolarHBondContact O-N 2.88Å; K168-L172 PolarHBondContact O-N 2.83Å; K168-E180 WeakPolarHBondContact CD-OE1 3.44Å; K168-E180 WeakPolarHBondContact CE-OE1 3.42Å; K168-E180 IonicContact NZ-OE1 2.63Å; K168-E180 PolarHBondContact NZ-OE1 2.9Å; K168-E180 IonicContact NZ-OE2 3.21Å; K168-E180 PolarHBondContact NZ-OE2 3.23Å
169M97.9Very high96.9Very high1 Ų121.7 Ų21.71%0.00513%0.126CC..Hα-helixtrans-62.9-37175.9-61.8-29-73.100112.2W132 I133 A136 L137 V165 L166 L172 S173 L231 I234W132-M169 HydrophobicContact CE3-CE 3.62Å; W132-M169 HydrophobicContact CH2-CE 3.19Å; W132-M169 HydrophobicContact CZ2-CE 4.15Å; W132-M169 HydrophobicContact CZ3-CE 2.86Å; I133-M169 HydrophobicContact CG1-CE 4.03Å; I133-M169 HydrophobicContact CG1-CG 4.46Å; I133-M169 HydrophobicContact CG1-SD 4.21Å; I133-M169 HydrophobicContact CG2-SD 4.16Å; A136-M169 HydrophobicContact CB-CE 4.25Å; L137-M169 HydrophobicContact CD1-SD 3.51Å; L137-M169 VanDerWaalsContact CD1-SD 3.51Å; L137-M169 HydrophobicContact CD2-SD 4.19Å; L137-M169 HydrophobicContact CG-SD 3.79Å; V165-M169 HydrophobicContact CG1-CG 4.18Å; V165-M169 VanDerWaalsContact O-CG 3.24Å; V165-M169 WeakPolarHBondContact O-CG 3.37Å; V165-M169 PolarHBondContact O-N 3.34Å; L166-M169 PolarHBondContact O-N 3.04Å; M169-L172 HydrophobicContact CE-CD1 3.75Å; M169-L172 WeakPolarHBondContact O-CB 3.33Å; M169-L172 PolarHBondContact O-N 3.29Å; M169-L172 HydrophobicContact SD-CD1 4.01Å; M169-S173 PolarHBondContact O-N 3.23Å; M169-S173 PolarHBondContact O-OG 3.06Å; M169-L231 HydrophobicContact CG-CD2 4.36Å; M169-I234 HydrophobicContact CB-CG2 4.08Å
170I98.3Very high96.9Very high1 Ų124.8 Ų24.81%0.00514%0.14CC..Hα-helixtrans-61.6-46175-70.4162.7000110.8L166 C167 K168 L172 S173 V174 T177 I178 A200 A204 I207 I234L166-I170 WeakPolarHBondContact O-CD1 3.23Å; L166-I170 VanDerWaalsContact O-CG1 3.27Å; L166-I170 WeakPolarHBondContact O-CG1 3.37Å; L166-I170 PolarHBondContact O-N 3.15Å; C167-I170 PolarHBondContact O-N 2.87Å; K168-I170 VanDerWaalsContact C-N 3.3Å; K168-I170 PolarHBondContact O-N 3.22Å; I170-L172 VanDerWaalsContact C-N 3.33Å; I170-S173 PolarHBondContact O-N 3.1Å; I170-V174 PolarHBondContact O-N 2.62Å; I170-T177 HydrophobicContact CG2-CG2 3.6Å; I170-I178 HydrophobicContact CB-CD1 4.04Å; I170-I178 HydrophobicContact CD1-CD1 4.05Å; I170-I178 HydrophobicContact CG2-CD1 3.93Å; I170-I178 HydrophobicContact CG2-CG1 4.38Å; I170-A200 HydrophobicContact CD1-CB 4.23Å; I170-A200 WeakPolarHBondContact CD1-O 3.27Å; I170-A204 HydrophobicContact CD1-CB 4.02Å; I170-I207 HydrophobicContact CG2-CD1 4.31Å; I170-I234 HydrophobicContact CD1-CD1 4.38Å; I170-I234 HydrophobicContact CG1-CD1 3.85Å; I170-I234 HydrophobicContact CG1-CG1 4.2Å; I170-I234 HydrophobicContact CG1-CG2 4.31Å
171N97.6Very high96.8Very high23 Ų2329.1 Ų29.112%0.12316%0.156CC..Hα-helixtrans-68.2-30.8176.8-83.2-8.7000113.2C167 K168 V174 P175 T177 I178C167-N171 PolarHBondContact O-N 3.16Å; K168-N171 PolarHBondContact O-N 2.88Å; N171-V174 CarbonylContact O-C 3.43Å; N171-P175 VanDerWaalsContact O-CA 3.24Å; N171-P175 WeakPolarHBondContact O-CA 3.34Å; N171-T177 PolarHBondContact OD1-N 3.49Å; N171-I178 PolarHBondContact ND2-O 3.45Å; N171-I178 PolarHBondContact OD1-N 2.84Å; N171-I178 PolarHBondContact OD1-O 2.65Å
172L95.8Very high96.9Very high85 Ų8528.7 Ų28.745%0.44515%0.152SC..Hα-helixtrans-65-41.6171.9-101.8160.5000111.8A136 L137 K168 M169 I170A136-L172 HydrophobicContact CB-CD1 3.81Å; L137-L172 HydrophobicContact CD2-CD1 3.51Å; L137-L172 HydrophobicContact CG-CD1 4.24Å; K168-L172 PolarHBondContact O-N 2.83Å; M169-L172 HydrophobicContact CE-CD1 3.75Å; M169-L172 WeakPolarHBondContact O-CB 3.33Å; M169-L172 PolarHBondContact O-N 3.29Å; M169-L172 HydrophobicContact SD-CD1 4.01Å; I170-L172 VanDerWaalsContact C-N 3.33Å
173S95.3Very high96.9Very high8 Ų828.2 Ų28.26%0.05615%0.149CC..Hα-helixtrans-76.7-40.3179.5-67.80000113.3M169 I170 I234 G238M169-S173 PolarHBondContact O-N 3.23Å; M169-S173 PolarHBondContact O-OG 3.06Å; I170-S173 PolarHBondContact O-N 3.1Å; S173-I234 VanDerWaalsContact CB-O 3.25Å; S173-I234 WeakPolarHBondContact CB-O 3.49Å; S173-I234 WeakPolarHBondContact OG-CG2 3.33Å; S173-I234 PolarHBondContact OG-O 3.44Å; S173-G238 WeakPolarHBondContact O-CA 3.33Å
174V94.9Very high96.8Very high46 Ų4629.9 Ų29.928%0.27916%0.158SC..SBendtrans-136.697.2177.3-174.40000108I170 N171 T177 I207 I237I170-V174 PolarHBondContact O-N 2.62Å; N171-V174 CarbonylContact O-C 3.43Å; V174-T177 WeakPolarHBondContact CB-OG1 3.32Å; V174-T177 VanDerWaalsContact CG1-OG1 3.29Å; V174-T177 WeakPolarHBondContact CG1-OG1 3.45Å; V174-T177 WeakPolarHBondContact O-CB 2.92Å; V174-T177 PolarHBondContact O-N 2.85Å; V174-T177 PolarHBondContact O-OG1 3.23Å; V174-I207 HydrophobicContact CB-CG2 3.99Å; V174-I207 HydrophobicContact CG1-CG2 4.18Å; V174-I207 HydrophobicContact CG2-CB 4.13Å; V174-I207 HydrophobicContact CG2-CD1 4.15Å; V174-I207 HydrophobicContact CG2-CG2 3.97Å; V174-I237 HydrophobicContact CG2-CG2 3.62Å
175P94.6Very high96.6Very high97 Ų9733.4 Ų33.463%0.6317%0.173SC*.THydrogen-bonded Turntrans-52.1149.5179.9-2936.2000112.8N171 T177N171-P175 VanDerWaalsContact O-CA 3.24Å; N171-P175 WeakPolarHBondContact O-CA 3.34Å; P175-T177 PolarHBondContact O-N 2.8Å; P175-T177 VanDerWaalsContact O-N 3.14Å
176D93Very high96.2Very high111 Ų11142 Ų4259%0.59421%0.21SC*.THydrogen-bonded Turntrans62.213177.7-72.3-45.2000116.3K596D176-K596 IonicContact OD1-NZ 3.61Å; D176-K596 PolarHBondContact OD1-NZ 2.87Å; D176-K596 IonicContact OD2-NZ 3.18Å; D176-K596 PolarHBondContact OD2-NZ 2.81Å
177T96.6Very high95.7Very high18 Ų1851.1 Ų51.111%0.1125%0.25CS..SBendtrans-68.5-40.3177.4-62.60000112.5I170 N171 V174 P175 I207 R603I170-T177 HydrophobicContact CG2-CG2 3.6Å; N171-T177 PolarHBondContact OD1-N 3.49Å; V174-T177 WeakPolarHBondContact CB-OG1 3.32Å; V174-T177 VanDerWaalsContact CG1-OG1 3.29Å; V174-T177 WeakPolarHBondContact CG1-OG1 3.45Å; V174-T177 WeakPolarHBondContact O-CB 2.92Å; V174-T177 PolarHBondContact O-N 2.85Å; V174-T177 PolarHBondContact O-OG1 3.23Å; P175-T177 PolarHBondContact O-N 2.8Å; P175-T177 VanDerWaalsContact O-N 3.14Å; T177-I207 HydrophobicContact CG2-CG2 3.63Å; T177-R603 PolarHBondContact O-NH1 3.03Å
178I98.3Very high95.3Very high3 Ų353.8 Ų53.82%0.01526%0.264CS..SBendtrans-118.3124.7178-65.4164.7000108.6C167 I170 N171 E180 I183 L199 S203C167-I178 HydrophobicContact CB-CD1 3.79Å; I170-I178 HydrophobicContact CB-CD1 4.04Å; I170-I178 HydrophobicContact CD1-CD1 4.05Å; I170-I178 HydrophobicContact CG2-CD1 3.93Å; I170-I178 HydrophobicContact CG2-CG1 4.38Å; N171-I178 PolarHBondContact ND2-O 3.45Å; N171-I178 PolarHBondContact OD1-N 2.84Å; N171-I178 PolarHBondContact OD1-O 2.65Å; I178-E180 PolarHBondContact O-N 3.14Å; I178-I183 HydrophobicContact CG2-CD1 4.15Å; I178-I183 HydrophobicContact CG2-CG1 4.01Å; I178-L199 HydrophobicContact CD1-CG 4.42Å; I178-L199 HydrophobicContact CG1-CD1 4.3Å; I178-L199 HydrophobicContact CG1-CG 4.47Å; I178-L199 HydrophobicContact CG2-CD1 4.21Å; I178-L199 HydrophobicContact CG2-CD2 3.85Å; I178-L199 HydrophobicContact CG2-CG 4.17Å; I178-S203 VanDerWaalsContact CG1-OG 3.29Å; I178-S203 WeakPolarHBondContact CG1-OG 3.16Å
179D97.8Very high95.2Very high21 Ų2156.6 Ų56.611%0.11228%0.282CS..  trans-69.4112.3164.1-171.2-33.2000109R181 A182 K596 Y597 S600D179-R181 PolarHBondContact O-N 3.05Å; D179-R181 WeakPolarHBondContact OD1-CB 3.32Å; D179-R181 VanDerWaalsContact OD1-CG 3.28Å; D179-R181 WeakPolarHBondContact OD1-CG 3.44Å; D179-R181 IonicContact OD1-CZ 2.84Å; D179-R181 PolarHBondContact OD1-N 3.21Å; D179-R181 IonicContact OD1-NE 2.82Å; D179-R181 PolarHBondContact OD1-NE 3.45Å; D179-R181 IonicContact OD1-NH2 2.75Å; D179-R181 IonicContact OD2-CZ 2.66Å; D179-R181 VanDerWaalsContact OD2-CZ 3.29Å; D179-R181 IonicContact OD2-NE 2.79Å; D179-R181 PolarHBondContact OD2-NE 3.48Å; D179-R181 VanDerWaalsContact OD2-NE 3.14Å; D179-R181 IonicContact OD2-NH2 2.94Å; D179-R181 PolarHBondContact OD2-NH2 3.34Å; D179-A182 VanDerWaalsContact O-CB 3.3Å; D179-A182 WeakPolarHBondContact O-CB 2.98Å; D179-A182 PolarHBondContact O-N 3.4Å; D179-K596 HydrophobicContact CB-CB 4.46Å; D179-Y597 WeakPolarHBondContact OD2-CA 3.32Å; D179-Y597 PolarHBondContact OD2-N 3.49Å; D179-S600 WeakPolarHBondContact CB-OG 3.46Å; D179-S600 PolarHBondContact N-OG 3.02Å
180E96.6Very high95Very high69 Ų6960.6 Ų60.632%0.32231%0.308SS..G310 helixtrans-61.3-19.3-175.6-63.1-158.4167.300114K168 I178 A182 I183 K185K168-E180 WeakPolarHBondContact CD-OE1 3.44Å; K168-E180 WeakPolarHBondContact CE-OE1 3.42Å; K168-E180 IonicContact NZ-OE1 2.63Å; K168-E180 PolarHBondContact NZ-OE1 2.9Å; K168-E180 IonicContact NZ-OE2 3.21Å; K168-E180 PolarHBondContact NZ-OE2 3.23Å; I178-E180 PolarHBondContact O-N 3.14Å; E180-A182 PolarHBondContact O-N 2.99Å; E180-I183 HydrophobicContact CB-CD1 4.22Å; E180-I183 HydrophobicContact CG-CD1 4.26Å; E180-I183 WeakPolarHBondContact O-CB 3.46Å; E180-I183 PolarHBondContact O-N 3.4Å; E180-I183 VanDerWaalsContact O-N 3.12Å; E180-K185 IonicContact OE2-NZ 2.67Å
181R95.9Very high94.6Very high91 Ų9166.4 Ų66.434%0.34333%0.334SS..G310 helixtrans-65.5-21.5173.6-60.7177.5-68.3168.5-2112.3D179 L580 N593 Y597D179-R181 PolarHBondContact O-N 3.05Å; D179-R181 WeakPolarHBondContact OD1-CB 3.32Å; D179-R181 VanDerWaalsContact OD1-CG 3.28Å; D179-R181 WeakPolarHBondContact OD1-CG 3.44Å; D179-R181 IonicContact OD1-CZ 2.84Å; D179-R181 PolarHBondContact OD1-N 3.21Å; D179-R181 IonicContact OD1-NE 2.82Å; D179-R181 PolarHBondContact OD1-NE 3.45Å; D179-R181 IonicContact OD1-NH2 2.75Å; D179-R181 IonicContact OD2-CZ 2.66Å; D179-R181 VanDerWaalsContact OD2-CZ 3.29Å; D179-R181 IonicContact OD2-NE 2.79Å; D179-R181 PolarHBondContact OD2-NE 3.48Å; D179-R181 VanDerWaalsContact OD2-NE 3.14Å; D179-R181 IonicContact OD2-NH2 2.94Å; D179-R181 PolarHBondContact OD2-NH2 3.34Å; R181-L580 HydrophobicContact CB-CD1 4.05Å; R181-L580 PolarHBondContact NH1-O 2.94Å; R181-N593 PolarHBondContact NH2-O 2.85Å; R181-Y597 HydrophobicContact CB-CD2 4.26Å; R181-Y597 HydrophobicContact CB-CE2 4.26Å
182A96.9Very high94.5Very high0 Ų067.2 Ų67.20%034%0.338CS..G310 helixtrans-81.6-14.1175.100000112.9D179 E180 L199 Y597 M601 R604D179-A182 VanDerWaalsContact O-CB 3.3Å; D179-A182 WeakPolarHBondContact O-CB 2.98Å; D179-A182 PolarHBondContact O-N 3.4Å; E180-A182 PolarHBondContact O-N 2.99Å; A182-L199 HydrophobicContact CB-CD2 4.21Å; A182-Y597 HydrophobicContact CB-CE2 4.42Å; A182-M601 HydrophobicContact CB-SD 3.93Å; A182-R604 WeakPolarHBondContact O-CD 3.35Å; A182-R604 PolarHBondContact O-NH1 3.05Å
183I97.3Very high94.5Very high8 Ų864.6 Ų64.64%0.04132%0.323CS..SBendtrans-77.4125.2178.9-54.5170.9000109I164 C167 I178 E180 K185 L199I164-I183 HydrophobicContact CG1-CG2 4.15Å; C167-I183 HydrophobicContact CB-CD1 3.62Å; C167-I183 HydrophobicContact CB-CG1 4.1Å; I178-I183 HydrophobicContact CG2-CD1 4.15Å; I178-I183 HydrophobicContact CG2-CG1 4.01Å; E180-I183 HydrophobicContact CB-CD1 4.22Å; E180-I183 HydrophobicContact CG-CD1 4.26Å; E180-I183 WeakPolarHBondContact O-CB 3.46Å; E180-I183 PolarHBondContact O-N 3.4Å; E180-I183 VanDerWaalsContact O-N 3.12Å; I183-K185 HydrophobicContact CB-CG 4.49Å; I183-K185 HydrophobicContact CG2-CG 4.17Å; I183-K185 PolarHBondContact O-N 2.88Å; I183-L199 HydrophobicContact CG1-CD2 4Å
184N95.6Very high94.5Very high35 Ų3566.3 Ų66.319%0.18733%0.331CS..  trans-77.4116.1172.8-63.7-51.8000109.2L188 I192 E195 N196N184-L188 HydrophobicContact CB-CD2 4.44Å; N184-L188 WeakPolarHBondContact O-CD2 3.24Å; N184-I192 HydrophobicContact CB-CG2 3.34Å; N184-E195 PolarHBondContact ND2-OE2 3.2Å; N184-N196 WeakPolarHBondContact CB-OD1 3.5Å; N184-N196 PolarHBondContact N-OD1 3.3Å; N184-N196 PolarHBondContact O-ND2 2.88Å
185K93.5Very high94.6Very high76 Ų7665 Ų6533%0.3332%0.321SS..  trans-109.1-7.9-172.5-63.5166179.2-161.20114.1D142 E180 I183D142-K185 HydrophobicContact CB-CD 4.48Å; D142-K185 VanDerWaalsContact CG-NZ 3.29Å; D142-K185 WeakPolarHBondContact OD1-CD 3.47Å; D142-K185 IonicContact OD1-NZ 3.36Å; D142-K185 PolarHBondContact OD1-NZ 3.35Å; D142-K185 WeakPolarHBondContact OD2-CE 3.19Å; D142-K185 IonicContact OD2-NZ 3.82Å; D142-K185 PolarHBondContact OD2-NZ 2.9Å; E180-K185 IonicContact OE2-NZ 2.67Å; I183-K185 HydrophobicContact CB-CG 4.49Å; I183-K185 HydrophobicContact CG2-CG 4.17Å; I183-K185 PolarHBondContact O-N 2.88Å
186K89.1Confident94.7Very high180 Ų18060.3 Ų60.378%0.78329%0.291SS*.SBendtrans-137.5151.8-173.8-63.6-178-178.6176.40110.5L188K186-L188 PolarHBondContact O-N 3.22Å
187K87.6Confident95Very high193 Ų19355 Ų5584%0.83926%0.263SS*.SBendtrans51.155.7176.3-60.5-177.8179.51800112.5T189 I192K187-T189 PolarHBondContact O-N 3.4Å; K187-I192 VanDerWaalsContact O-CD1 3.31Å; K187-I192 WeakPolarHBondContact O-CD1 3.44Å
188L91.6Very high95Very high56 Ų5655.8 Ų55.829%0.29327%0.266SS..  trans-72.885.9-174.3-62.2174.4000111.9D162 I164 N184 K186 I192 I193D162-L188 HydrophobicContact CB-CD1 3.88Å; I164-L188 HydrophobicContact CD1-CD1 4.25Å; N184-L188 HydrophobicContact CB-CD2 4.44Å; N184-L188 WeakPolarHBondContact O-CD2 3.24Å; K186-L188 PolarHBondContact O-N 3.22Å; L188-I192 HydrophobicContact CD2-CG2 3.84Å; L188-I193 HydrophobicContact CB-CD1 4.15Å; L188-I193 HydrophobicContact CB-CG1 3.87Å
189T94.4Very high95Very high66 Ų6655.6 Ų55.641%0.40527%0.265SS..  trans-73.1162.1167.667.40000110.2K187 F191 I192 I193K187-T189 PolarHBondContact O-N 3.4Å; T189-F191 PolarHBondContact O-N 3.21Å; T189-F191 VanDerWaalsContact O-N 3.13Å; T189-I192 HydrophobicContact CG2-CD1 4.33Å; T189-I192 PolarHBondContact O-N 2.85Å; T189-I192 WeakPolarHBondContact OG1-CG1 3.35Å; T189-I192 PolarHBondContact OG1-N 3.43Å; T189-I193 WeakPolarHBondContact O-CG1 3.29Å; T189-I193 PolarHBondContact O-N 3.23Å
190P93.9Very high95Very high86 Ų8654.6 Ų54.656%0.55826%0.26SS*.Hα-helixtrans-53.5-35.5177-28.836.2000113.9Q194P190-Q194 WeakPolarHBondContact O-CB 3.47Å; P190-Q194 PolarHBondContact O-N 3.4Å
191F91.4Very high95.1Very high123 Ų12351.9 Ų51.954%0.53925%0.248SC..Hα-helixtrans-68.6-42.8175.7-178.1-94.8000112.4T189 Q194 E195T189-F191 PolarHBondContact O-N 3.21Å; T189-F191 VanDerWaalsContact O-N 3.13Å; F191-Q194 WeakPolarHBondContact O-CB 3.45Å; F191-Q194 PolarHBondContact O-N 2.84Å; F191-E195 HydrophobicContact CE1-CG 4.28Å; F191-E195 VanDerWaalsContact CE1-OE1 3.26Å; F191-E195 WeakPolarHBondContact CE1-OE1 3.47Å; F191-E195 PolarHBondContact O-N 3.45Å; F191-E195 VanDerWaalsContact O-N 3.12Å
192I94Very high95.1Very high40 Ų4048.4 Ų48.421%0.20524%0.236CC..Hα-helixtrans-68.2-37.4178.4-70.9171.8000111.2N184 K187 L188 T189 Q194 E195 N196N184-I192 HydrophobicContact CB-CG2 3.34Å; K187-I192 VanDerWaalsContact O-CD1 3.31Å; K187-I192 WeakPolarHBondContact O-CD1 3.44Å; L188-I192 HydrophobicContact CD2-CG2 3.84Å; T189-I192 HydrophobicContact CG2-CD1 4.33Å; T189-I192 PolarHBondContact O-N 2.85Å; T189-I192 WeakPolarHBondContact OG1-CG1 3.35Å; T189-I192 PolarHBondContact OG1-N 3.43Å; I192-Q194 VanDerWaalsContact C-N 3.34Å; I192-E195 WeakPolarHBondContact O-CB 3.43Å; I192-E195 PolarHBondContact O-N 3.21Å; I192-N196 PolarHBondContact O-N 3.39Å
193I96.6Very high95.2Very high29 Ų2948.4 Ų48.415%0.14924%0.236CC..Hα-helixtrans-61.1-45.6172.5-71.4170.5000110.3G161 L188 T189 E195 N196 L197 R220G161-I193 WeakPolarHBondContact O-CG2 3.31Å; L188-I193 HydrophobicContact CB-CD1 4.15Å; L188-I193 HydrophobicContact CB-CG1 3.87Å; T189-I193 WeakPolarHBondContact O-CG1 3.29Å; T189-I193 PolarHBondContact O-N 3.23Å; I193-E195 PolarHBondContact O-N 2.88Å; I193-N196 PolarHBondContact O-N 2.91Å; I193-N196 VanDerWaalsContact O-N 3.13Å; I193-L197 HydrophobicContact CG2-CD1 3.67Å; I193-L197 HydrophobicContact CG2-CG 4.27Å; I193-L197 WeakPolarHBondContact O-CG 3.49Å; I193-L197 PolarHBondContact O-N 2.84Å; I193-R220 HydrophobicContact CG2-CG 4.02Å
194Q95.7Very high95.2Very high45 Ų4548 Ų4821%0.2123%0.234CC..Hα-helixtrans-56.6-39176.5-17569.717.300111.9P190 F191 I192 L197 N198 E217P190-Q194 WeakPolarHBondContact O-CB 3.47Å; P190-Q194 PolarHBondContact O-N 3.4Å; F191-Q194 WeakPolarHBondContact O-CB 3.45Å; F191-Q194 PolarHBondContact O-N 2.84Å; I192-Q194 VanDerWaalsContact C-N 3.34Å; Q194-L197 PolarHBondContact O-N 3.34Å; Q194-N198 WeakPolarHBondContact O-CB 3.11Å; Q194-N198 PolarHBondContact O-N 3.07Å; Q194-N198 PolarHBondContact O-ND2 3.36Å; Q194-E217 PolarHBondContact OE1-OE1 3.32Å
195E95.9Very high95.2Very high17 Ų1746.7 Ų46.78%0.07923%0.227CC..Hα-helixtrans-63.1-46174.8-70.9-173.416200112.9N184 F191 I192 I193 L197 N198 L199 Q572 R604N184-E195 PolarHBondContact ND2-OE2 3.2Å; F191-E195 HydrophobicContact CE1-CG 4.28Å; F191-E195 VanDerWaalsContact CE1-OE1 3.26Å; F191-E195 WeakPolarHBondContact CE1-OE1 3.47Å; F191-E195 PolarHBondContact O-N 3.45Å; F191-E195 VanDerWaalsContact O-N 3.12Å; I192-E195 WeakPolarHBondContact O-CB 3.43Å; I192-E195 PolarHBondContact O-N 3.21Å; I193-E195 PolarHBondContact O-N 2.88Å; E195-L197 VanDerWaalsContact C-N 3.32Å; E195-L197 PolarHBondContact O-N 3.19Å; E195-N198 PolarHBondContact O-N 3.42Å; E195-L199 WeakPolarHBondContact O-CB 3.38Å; E195-L199 PolarHBondContact O-N 3.38Å; E195-Q572 PolarHBondContact OE1-NE2 3.19Å; E195-R604 HydrophobicContact CB-CG 3.81Å; E195-R604 WeakPolarHBondContact O-CG 3.48Å; E195-R604 IonicContact OE2-NE 2.87Å
196N97.8Very high95.3Very high0 Ų043.6 Ų43.60%022%0.216CC..Hα-helixtrans-61.6-41.8176.3-77-9000111.7D162 N184 I192 I193 L199 A200D162-N196 WeakPolarHBondContact O-CB 3.39Å; D162-N196 PolarHBondContact O-ND2 3.22Å; N184-N196 WeakPolarHBondContact CB-OD1 3.5Å; N184-N196 PolarHBondContact N-OD1 3.3Å; N184-N196 PolarHBondContact O-ND2 2.88Å; I192-N196 PolarHBondContact O-N 3.39Å; I193-N196 PolarHBondContact O-N 2.91Å; I193-N196 VanDerWaalsContact O-N 3.13Å; N196-L199 WeakPolarHBondContact O-CB 3.37Å; N196-L199 PolarHBondContact O-N 2.89Å; N196-A200 PolarHBondContact O-N 3.43Å
197L98.2Very high95.6Very high0 Ų035.6 Ų35.60%018%0.181CC..Hα-helixtrans-68.8-37.3179-66.6171.1000111.9G163 L166 I193 Q194 E195 A200 L201 A216 L219 R220G163-L197 VanDerWaalsContact CA-CD2 3.47Å; L166-L197 HydrophobicContact CD1-CD2 4.19Å; I193-L197 HydrophobicContact CG2-CD1 3.67Å; I193-L197 HydrophobicContact CG2-CG 4.27Å; I193-L197 WeakPolarHBondContact O-CG 3.49Å; I193-L197 PolarHBondContact O-N 2.84Å; Q194-L197 PolarHBondContact O-N 3.34Å; E195-L197 VanDerWaalsContact C-N 3.32Å; E195-L197 PolarHBondContact O-N 3.19Å; L197-A200 PolarHBondContact O-N 3.19Å; L197-L201 WeakPolarHBondContact O-CB 3.39Å; L197-L201 WeakPolarHBondContact O-CG 3.17Å; L197-L201 PolarHBondContact O-N 2.92Å; L197-A216 HydrophobicContact CB-CB 3.45Å; L197-A216 VanDerWaalsContact CB-CB 3.45Å; L197-A216 HydrophobicContact CD1-CB 4.31Å; L197-A216 VanDerWaalsContact CD1-O 3.24Å; L197-A216 WeakPolarHBondContact CD1-O 3.32Å; L197-L219 HydrophobicContact CD1-CB 4.44Å; L197-L219 HydrophobicContact CD2-CB 3.82Å; L197-L219 HydrophobicContact CD2-CD1 4.2Å; L197-R220 HydrophobicContact CD1-CB 3.68Å; L197-R220 HydrophobicContact CD1-CG 4.37Å
198N97.1Very high95.8Very high33 Ų3326.7 Ų26.718%0.17615%0.145CC..Hα-helixtrans-63.1-42.7171-74.4-22.9000111.7Q194 E195 L201 N202 R604Q194-N198 WeakPolarHBondContact O-CB 3.11Å; Q194-N198 PolarHBondContact O-N 3.07Å; Q194-N198 PolarHBondContact O-ND2 3.36Å; E195-N198 PolarHBondContact O-N 3.42Å; N198-L201 PolarHBondContact O-N 3.41Å; N198-N202 WeakPolarHBondContact O-CB 3.4Å; N198-N202 PolarHBondContact O-N 2.89Å; N198-N202 PolarHBondContact O-ND2 3.32Å; N198-N202 VanDerWaalsContact O-ND2 3.13Å; N198-R604 WeakPolarHBondContact CB-O 3.4Å
199L98.4Very high95.9Very high0 Ų024.1 Ų24.10%013%0.131CC..Hα-helixtrans-57.7-50.5173.8175.458.3000110.5I178 A182 I183 E195 N196 S203 S600 R603 R604I178-L199 HydrophobicContact CD1-CG 4.42Å; I178-L199 HydrophobicContact CG1-CD1 4.3Å; I178-L199 HydrophobicContact CG1-CG 4.47Å; I178-L199 HydrophobicContact CG2-CD1 4.21Å; I178-L199 HydrophobicContact CG2-CD2 3.85Å; I178-L199 HydrophobicContact CG2-CG 4.17Å; A182-L199 HydrophobicContact CB-CD2 4.21Å; I183-L199 HydrophobicContact CG1-CD2 4Å; E195-L199 WeakPolarHBondContact O-CB 3.38Å; E195-L199 PolarHBondContact O-N 3.38Å; N196-L199 WeakPolarHBondContact O-CB 3.37Å; N196-L199 PolarHBondContact O-N 2.89Å; L199-S203 WeakPolarHBondContact O-CB 3.37Å; L199-S203 PolarHBondContact O-N 3.33Å; L199-S203 PolarHBondContact O-OG 3.07Å; L199-S600 WeakPolarHBondContact CD1-O 3.49Å; L199-R603 HydrophobicContact CD1-CB 4.01Å; L199-R604 HydrophobicContact CB-CB 4.08Å; L199-R604 HydrophobicContact CB-CG 4.17Å; L199-R604 HydrophobicContact CD1-CB 4.38Å
200A98.4Very high95.6Very high0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-58.5-51.6177.500000112.3L166 I170 N196 L197 S203 A204L166-A200 HydrophobicContact CB-CB 3.82Å; L166-A200 HydrophobicContact CD1-CB 4.46Å; I170-A200 HydrophobicContact CD1-CB 4.23Å; I170-A200 WeakPolarHBondContact CD1-O 3.27Å; N196-A200 PolarHBondContact O-N 3.43Å; L197-A200 PolarHBondContact O-N 3.19Å; A200-S203 PolarHBondContact O-N 2.65Å; A200-A204 VanDerWaalsContact O-CB 3.31Å; A200-A204 WeakPolarHBondContact O-CB 3.43Å; A200-A204 PolarHBondContact O-N 3.35Å
201L97.8Very high95.3Very high12 Ų1220.3 Ų20.36%0.06310%0.103CC..Hα-helixtrans-61.9-47.7-178.3-76.4169.2000112.8L197 N198 S203 A204 S205 V211 I214 A216 L219 L230L197-L201 WeakPolarHBondContact O-CB 3.39Å; L197-L201 WeakPolarHBondContact O-CG 3.17Å; L197-L201 PolarHBondContact O-N 2.92Å; N198-L201 PolarHBondContact O-N 3.41Å; L201-S203 VanDerWaalsContact C-N 3.28Å; L201-S203 PolarHBondContact O-N 2.98Å; L201-A204 PolarHBondContact O-N 2.92Å; L201-S205 WeakPolarHBondContact O-CB 3.46Å; L201-S205 PolarHBondContact O-N 3.25Å; L201-V211 HydrophobicContact CD2-CB 4.24Å; L201-V211 HydrophobicContact CD2-CG1 4.24Å; L201-I214 HydrophobicContact CD2-CB 4.04Å; L201-I214 HydrophobicContact CD2-CG2 3.77Å; L201-A216 HydrophobicContact CD1-CB 3.99Å; L201-L219 HydrophobicContact CD1-CD1 4.04Å; L201-L219 HydrophobicContact CD2-CD1 3.67Å; L201-L219 HydrophobicContact CG-CD1 3.73Å; L201-L230 HydrophobicContact CD2-CD2 4.13Å
202N96.9Very high94.5Very high18 Ų1817.3 Ų17.310%0.0969%0.094CC..Hα-helixtrans-69-30-179.7-72.1-40.5000111.8N198 S205 A206 R603 G606N198-N202 WeakPolarHBondContact O-CB 3.4Å; N198-N202 PolarHBondContact O-N 2.89Å; N198-N202 PolarHBondContact O-ND2 3.32Å; N198-N202 VanDerWaalsContact O-ND2 3.13Å; N202-S205 WeakPolarHBondContact O-CB 3.27Å; N202-A206 WeakPolarHBondContact O-CB 3.29Å; N202-A206 PolarHBondContact O-N 3.02Å; N202-A206 VanDerWaalsContact O-N 3.08Å; N202-R603 HydrophobicContact CB-CB 3.8Å; N202-R603 HydrophobicContact CB-CG 3.93Å; N202-R603 PolarHBondContact ND2-O 3.49Å; N202-G606 WeakPolarHBondContact ND2-CA 3.35Å
203S98.1Very high93.6Very high0 Ų021.4 Ų21.40%012%0.116CC..Hα-helixtrans-77.2-38.8176.5-56.10000111.8I178 L199 A200 L201 S205 A206 I207 R603I178-S203 VanDerWaalsContact CG1-OG 3.29Å; I178-S203 WeakPolarHBondContact CG1-OG 3.16Å; L199-S203 WeakPolarHBondContact O-CB 3.37Å; L199-S203 PolarHBondContact O-N 3.33Å; L199-S203 PolarHBondContact O-OG 3.07Å; A200-S203 PolarHBondContact O-N 2.65Å; L201-S203 VanDerWaalsContact C-N 3.28Å; L201-S203 PolarHBondContact O-N 2.98Å; S203-S205 VanDerWaalsContact C-N 3.32Å; S203-S205 PolarHBondContact O-N 2.84Å; S203-A206 PolarHBondContact O-N 2.68Å; S203-A206 VanDerWaalsContact O-N 3.16Å; S203-I207 PolarHBondContact O-N 3.39Å; S203-R603 WeakPolarHBondContact OG-CD 3.38Å
204A97.7Very high93.2Very high0 Ų021.1 Ų21.10%012%0.115CC..Hα-helixtrans-59.1-44.2169.800000110.8I170 A200 L201 A206 I207 G208 C209 V211 L230I170-A204 HydrophobicContact CD1-CB 4.02Å; A200-A204 VanDerWaalsContact O-CB 3.31Å; A200-A204 WeakPolarHBondContact O-CB 3.43Å; A200-A204 PolarHBondContact O-N 3.35Å; L201-A204 PolarHBondContact O-N 2.92Å; A204-A206 VanDerWaalsContact C-N 3.31Å; A204-A206 PolarHBondContact O-N 3.2Å; A204-I207 WeakPolarHBondContact O-CG1 3.39Å; A204-I207 PolarHBondContact O-N 3.48Å; A204-G208 PolarHBondContact O-N 3.48Å; A204-C209 HydrophobicContact CB-CB 3.95Å; A204-C209 VanDerWaalsContact O-CB 3.23Å; A204-C209 WeakPolarHBondContact O-CB 3.34Å; A204-C209 PolarHBondContact O-N 3.24Å; A204-V211 HydrophobicContact CB-CG1 4.24Å; A204-L230 HydrophobicContact CB-CD1 3.98Å
205S95.5Very high92.8Very high7 Ų720.3 Ų20.35%0.04912%0.119CC..Hα-helixtrans-57.5-44173.5-159.20000111.7L201 N202 S203 I207 G208 S418 Y610L201-S205 WeakPolarHBondContact O-CB 3.46Å; L201-S205 PolarHBondContact O-N 3.25Å; N202-S205 WeakPolarHBondContact O-CB 3.27Å; S203-S205 VanDerWaalsContact C-N 3.32Å; S203-S205 PolarHBondContact O-N 2.84Å; S205-I207 PolarHBondContact O-N 2.89Å; S205-G208 PolarHBondContact O-N 3.48Å; S205-S418 WeakPolarHBondContact O-CB 3.33Å; S205-S418 WeakPolarHBondContact OG-CB 3.46Å; S205-Y610 WeakPolarHBondContact O-CE1 3.46Å; S205-Y610 PolarHBondContact OG-OH 2.7Å
206A95.1Very high92.7Very high11 Ų1119.7 Ų19.79%0.09112%0.117CC..Hα-helixtrans-66.7-23.2-178.200000114.2N202 S203 A204 N414 Y610N202-A206 WeakPolarHBondContact O-CB 3.29Å; N202-A206 PolarHBondContact O-N 3.02Å; N202-A206 VanDerWaalsContact O-N 3.08Å; S203-A206 PolarHBondContact O-N 2.68Å; S203-A206 VanDerWaalsContact O-N 3.16Å; A204-A206 VanDerWaalsContact C-N 3.31Å; A204-A206 PolarHBondContact O-N 3.2Å; A206-N414 WeakPolarHBondContact O-CB 3.39Å; A206-N414 PolarHBondContact O-ND2 3.16Å; A206-Y610 HydrophobicContact CB-CD1 4.44Å
207I95.1Very high92.5Very high11 Ų1124 Ų246%0.05614%0.137CC..THydrogen-bonded Turntrans-92.21.9172.766.3166000113.1I170 V174 T177 S203 A204 S205 I237 N414I170-I207 HydrophobicContact CG2-CD1 4.31Å; V174-I207 HydrophobicContact CB-CG2 3.99Å; V174-I207 HydrophobicContact CG1-CG2 4.18Å; V174-I207 HydrophobicContact CG2-CB 4.13Å; V174-I207 HydrophobicContact CG2-CD1 4.15Å; V174-I207 HydrophobicContact CG2-CG2 3.97Å; T177-I207 HydrophobicContact CG2-CG2 3.63Å; S203-I207 PolarHBondContact O-N 3.39Å; A204-I207 WeakPolarHBondContact O-CG1 3.39Å; A204-I207 PolarHBondContact O-N 3.48Å; S205-I207 PolarHBondContact O-N 2.89Å; I207-I237 HydrophobicContact CD1-CD1 3.88Å; I207-I237 HydrophobicContact CD1-CG2 4.44Å; I207-I237 HydrophobicContact CG1-CD1 3.97Å; I207-I237 WeakPolarHBondContact O-CD1 3.47Å; I207-N414 PolarHBondContact O-OD1 3.22Å
208G92.5Very high92.2Very high7 Ų725.5 Ų25.57%0.07215%0.145CC..THydrogen-bonded Turntrans102.47.2174.300000115.9A204 S205 N414A204-G208 PolarHBondContact O-N 3.48Å; S205-G208 PolarHBondContact O-N 3.48Å; G208-N414 WeakPolarHBondContact CA-O 3.49Å
209C92.9Very high92.2Very high1 Ų124 Ų241%0.00714%0.137CC..  trans-68.8137.9173.4-62.20000111.2A204 V211 L230 Q233 I237 S418A204-C209 HydrophobicContact CB-CB 3.95Å; A204-C209 VanDerWaalsContact O-CB 3.23Å; A204-C209 WeakPolarHBondContact O-CB 3.34Å; A204-C209 PolarHBondContact O-N 3.24Å; C209-V211 HydrophobicContact CB-CG1 4.1Å; C209-V211 PolarHBondContact O-N 3.2Å; C209-L230 HydrophobicContact CB-CD1 4.3Å; C209-Q233 HydrophobicContact CB-CB 4.32Å; C209-I237 VanDerWaalsContact SG-CD1 3.54Å; C209-S418 WeakPolarHBondContact O-CA 3.32Å
210H89.1Confident92Very high56 Ų5628.4 Ų28.426%0.25915%0.153SC..  trans-79.1106171.4-178.267.8000110.9Q233 S418 G420H210-Q233 PolarHBondContact O-NE2 2.9Å; H210-S418 PolarHBondContact ND1-O 3.01Å; H210-G420 WeakPolarHBondContact ND1-CA 3.22Å; H210-G420 PolarHBondContact ND1-N 3.34Å; H210-G420 VanDerWaalsContact ND1-N 3.17Å
211V86.1Confident91.8Very high17 Ų1732 Ų3210%0.10318%0.183CC..  trans-119.311.4-175.5-59.70000114L201 A204 C209 N213 I214 L230L201-V211 HydrophobicContact CD2-CB 4.24Å; L201-V211 HydrophobicContact CD2-CG1 4.24Å; A204-V211 HydrophobicContact CB-CG1 4.24Å; C209-V211 HydrophobicContact CB-CG1 4.1Å; C209-V211 PolarHBondContact O-N 3.2Å; V211-N213 PolarHBondContact O-N 3.42Å; V211-N213 VanDerWaalsContact O-N 3.11Å; V211-I214 PolarHBondContact O-N 3.35Å; V211-I214 VanDerWaalsContact O-N 3.08Å; V211-L230 HydrophobicContact CG1-CD1 3.9Å
212V74.7Confident91.6Very high60 Ų6031.7 Ų31.736%0.36418%0.183SC..THydrogen-bonded Turntrans-58.1-32.3-171.6177.50000112.8
213N76.3Confident91.3Very high125 Ų12533.8 Ų33.867%0.66819%0.191SC*.THydrogen-bonded Turntrans-106.623.4-178-59.1-32000113.1V211V211-N213 PolarHBondContact O-N 3.42Å; V211-N213 VanDerWaalsContact O-N 3.11Å
214I87Confident90.9Very high23 Ų2334.9 Ų34.912%0.11820%0.198CC..  trans-125.4111.5-179.5-48.4-178.7000109.2L201 V211 L219 L226 L230L201-I214 HydrophobicContact CD2-CB 4.04Å; L201-I214 HydrophobicContact CD2-CG2 3.77Å; V211-I214 PolarHBondContact O-N 3.35Å; V211-I214 VanDerWaalsContact O-N 3.08Å; I214-L219 HydrophobicContact CG2-CD1 4.28Å; I214-L219 HydrophobicContact CG2-CD2 3.85Å; I214-L219 HydrophobicContact CG2-CG 3.87Å; I214-L226 HydrophobicContact CG1-CD2 4.28Å; I214-L226 HydrophobicContact CG2-CB 4.41Å; I214-L226 HydrophobicContact CG2-CD1 4.47Å; I214-L230 HydrophobicContact CD1-CB 4.13Å
215G89.1Confident90.2Very high29 Ų2937.5 Ų37.530%0.29921%0.211SC..  trans-91.1157.4171.400000112.3E217 D218 L219G215-E217 PolarHBondContact O-N 3.48Å; G215-D218 WeakPolarHBondContact CA-OD2 3.38Å; G215-D218 PolarHBondContact N-OD2 2.93Å; G215-D218 WeakPolarHBondContact O-CB 3.31Å; G215-D218 PolarHBondContact O-N 3.43Å; G215-D218 VanDerWaalsContact O-N 3.09Å; G215-L219 PolarHBondContact O-N 2.81Å
216A93.4Very high89.9Confident4 Ų438.5 Ų38.53%0.03322%0.215CC..Hα-helixtrans-62.3-29.6173.100000111.7L197 L201 D218 L219 R220L197-A216 HydrophobicContact CB-CB 3.45Å; L197-A216 VanDerWaalsContact CB-CB 3.45Å; L197-A216 HydrophobicContact CD1-CB 4.31Å; L197-A216 VanDerWaalsContact CD1-O 3.24Å; L197-A216 WeakPolarHBondContact CD1-O 3.32Å; L201-A216 HydrophobicContact CD1-CB 3.99Å; A216-D218 VanDerWaalsContact C-N 3.35Å; A216-D218 PolarHBondContact O-N 3.5Å; A216-L219 PolarHBondContact O-N 2.93Å; A216-R220 WeakPolarHBondContact O-CB 3.45Å; A216-R220 PolarHBondContact O-N 3.3Å
217E93.1Very high89.9Confident89 Ų8938 Ų3842%0.41621%0.211SC..Hα-helixtrans-63.9-37.4172.6-69.7-61.9159.700113.1Q194 G215 L219 R220 A221Q194-E217 PolarHBondContact OE1-OE1 3.32Å; G215-E217 PolarHBondContact O-N 3.48Å; E217-L219 VanDerWaalsContact C-N 3.34Å; E217-L219 PolarHBondContact O-N 3.42Å; E217-R220 PolarHBondContact O-N 2.98Å; E217-R220 IonicContact OE1-CZ 2.69Å; E217-R220 IonicContact OE1-NH1 3.06Å; E217-R220 PolarHBondContact OE1-NH1 2.92Å; E217-R220 IonicContact OE1-NH2 3.12Å; E217-R220 PolarHBondContact OE1-NH2 3.24Å; E217-R220 IonicContact OE2-CZ 3.68Å; E217-R220 IonicContact OE2-NE 3.45Å; E217-R220 PolarHBondContact OE2-NE 3.08Å; E217-R220 IonicContact OE2-NH1 2.58Å; E217-R220 PolarHBondContact OE2-NH1 2.8Å; E217-R220 IonicContact OE2-NH2 2.89Å; E217-R220 PolarHBondContact OE2-NH2 3.37Å; E217-A221 WeakPolarHBondContact O-CB 3.5Å; E217-A221 PolarHBondContact O-N 3.22Å
218D92.6Very high89.7Confident33 Ų3337.6 Ų37.618%0.17621%0.209CC..Hα-helixtrans-66-39.3177.5-58.9-56.5000112G215 A216 G222 K223 L226G215-D218 WeakPolarHBondContact CA-OD2 3.38Å; G215-D218 PolarHBondContact N-OD2 2.93Å; G215-D218 WeakPolarHBondContact O-CB 3.31Å; G215-D218 PolarHBondContact O-N 3.43Å; G215-D218 VanDerWaalsContact O-N 3.09Å; A216-D218 VanDerWaalsContact C-N 3.35Å; A216-D218 PolarHBondContact O-N 3.5Å; D218-G222 PolarHBondContact O-N 3.5Å; D218-K223 HydrophobicContact CB-CD 3.95Å; D218-K223 HydrophobicContact CB-CG 4.43Å; D218-K223 PolarHBondContact O-N 3.43Å; D218-K223 WeakPolarHBondContact OD1-CD 3.38Å; D218-K223 VanDerWaalsContact OD1-CE 3.24Å; D218-K223 WeakPolarHBondContact OD1-CE 3.07Å; D218-K223 IonicContact OD1-NZ 3.71Å; D218-K223 PolarHBondContact OD1-NZ 2.81Å; D218-L226 HydrophobicContact CB-CD1 3.5Å
219L95.6Very high89.6Confident0 Ų038.5 Ų38.50%022%0.219CC..Hα-helixtrans-72-39176.4-63.9-179.5000111.8L166 L197 L201 I214 G215 A216 E217 A221 G222 V227 L230L166-L219 HydrophobicContact CD1-CD1 3.78Å; L166-L219 HydrophobicContact CD1-CD2 4.48Å; L197-L219 HydrophobicContact CD1-CB 4.44Å; L197-L219 HydrophobicContact CD2-CB 3.82Å; L197-L219 HydrophobicContact CD2-CD1 4.2Å; L201-L219 HydrophobicContact CD1-CD1 4.04Å; L201-L219 HydrophobicContact CD2-CD1 3.67Å; L201-L219 HydrophobicContact CG-CD1 3.73Å; I214-L219 HydrophobicContact CG2-CD1 4.28Å; I214-L219 HydrophobicContact CG2-CD2 3.85Å; I214-L219 HydrophobicContact CG2-CG 3.87Å; G215-L219 PolarHBondContact O-N 2.81Å; A216-L219 PolarHBondContact O-N 2.93Å; E217-L219 VanDerWaalsContact C-N 3.34Å; E217-L219 PolarHBondContact O-N 3.42Å; L219-A221 VanDerWaalsContact C-N 3.29Å; L219-A221 PolarHBondContact O-N 3.04Å; L219-G222 WeakPolarHBondContact O-CA 3.49Å; L219-G222 PolarHBondContact O-N 3.29Å; L219-V227 HydrophobicContact CD2-CG2 4.02Å; L219-L230 HydrophobicContact CD1-CD2 3.99Å; L219-L230 HydrophobicContact CD2-CD2 4.09Å
220R95.6Very high89.7Confident93 Ų9338.5 Ų38.535%0.35122%0.219SC..Hα-helixtrans-62.2-39.5174.9-167.9174.275.7-1606.2111.6I193 L197 A216 E217 G222I193-R220 HydrophobicContact CG2-CG 4.02Å; L197-R220 HydrophobicContact CD1-CB 3.68Å; L197-R220 HydrophobicContact CD1-CG 4.37Å; A216-R220 WeakPolarHBondContact O-CB 3.45Å; A216-R220 PolarHBondContact O-N 3.3Å; E217-R220 PolarHBondContact O-N 2.98Å; E217-R220 IonicContact OE1-CZ 2.69Å; E217-R220 IonicContact OE1-NH1 3.06Å; E217-R220 PolarHBondContact OE1-NH1 2.92Å; E217-R220 IonicContact OE1-NH2 3.12Å; E217-R220 PolarHBondContact OE1-NH2 3.24Å; E217-R220 IonicContact OE2-CZ 3.68Å; E217-R220 IonicContact OE2-NE 3.45Å; E217-R220 PolarHBondContact OE2-NE 3.08Å; E217-R220 IonicContact OE2-NH1 2.58Å; E217-R220 PolarHBondContact OE2-NH1 2.8Å; E217-R220 IonicContact OE2-NH2 2.89Å; E217-R220 PolarHBondContact OE2-NH2 3.37Å; R220-G222 PolarHBondContact O-N 3.09Å
221A93.6Very high90Very high76 Ų7635.9 Ų35.963%0.62821%0.206SC*.THydrogen-bonded Turntrans-73.5-9.917400000113.3E217 L219 K223E217-A221 WeakPolarHBondContact O-CB 3.5Å; E217-A221 PolarHBondContact O-N 3.22Å; L219-A221 VanDerWaalsContact C-N 3.29Å; L219-A221 PolarHBondContact O-N 3.04Å; A221-K223 HydrophobicContact CB-CG 4.47Å
222G93.3Very high90.4Very high6 Ų636.4 Ų36.46%0.06221%0.206CC..THydrogen-bonded Turntrans6834.7179.600000113.7F157 D218 L219 R220 P224F157-G222 WeakPolarHBondContact CB-O 3.31Å; F157-G222 VanDerWaalsContact O-CA 3.32Å; F157-G222 WeakPolarHBondContact O-CA 3.3Å; D218-G222 PolarHBondContact O-N 3.5Å; L219-G222 WeakPolarHBondContact O-CA 3.49Å; L219-G222 PolarHBondContact O-N 3.29Å; R220-G222 PolarHBondContact O-N 3.09Å; G222-P224 WeakPolarHBondContact O-CD 3.33Å
223K90.5Very high91.2Very high61 Ų6136 Ų3627%0.26520%0.201SC..  trans-57.3112.8-178-71.9-171-178173.20110.9D218 A221 H225 L226 V227D218-K223 HydrophobicContact CB-CD 3.95Å; D218-K223 HydrophobicContact CB-CG 4.43Å; D218-K223 PolarHBondContact O-N 3.43Å; D218-K223 WeakPolarHBondContact OD1-CD 3.38Å; D218-K223 VanDerWaalsContact OD1-CE 3.24Å; D218-K223 WeakPolarHBondContact OD1-CE 3.07Å; D218-K223 IonicContact OD1-NZ 3.71Å; D218-K223 PolarHBondContact OD1-NZ 2.81Å; A221-K223 HydrophobicContact CB-CG 4.47Å; K223-H225 PolarHBondContact O-N 3.32Å; K223-L226 HydrophobicContact CB-CB 4.41Å; K223-L226 HydrophobicContact CB-CD1 4.33Å; K223-L226 HydrophobicContact CB-CG 4.35Å; K223-L226 HydrophobicContact CD-CD1 4.18Å; K223-L226 PolarHBondContact O-N 2.9Å; K223-L226 VanDerWaalsContact O-N 3.14Å; K223-V227 WeakPolarHBondContact O-CG2 3.29Å; K223-V227 PolarHBondContact O-N 3.47Å
224P89.5Confident92.2Very high23 Ų2330.1 Ų30.115%0.14917%0.169CC..Hα-helixtrans-56-49.8-164.4-33.738.8000115.5L106 Y121 F157 G222 L226 V227 L228L106-P224 HydrophobicContact CD1-CG 4.29Å; Y121-P224 HydrophobicContact CD1-CB 3.31Å; Y121-P224 HydrophobicContact CD1-CG 4.05Å; Y121-P224 HydrophobicContact CD2-CB 4.06Å; Y121-P224 HydrophobicContact CE1-CB 3.55Å; Y121-P224 HydrophobicContact CE1-CG 3.85Å; Y121-P224 HydrophobicContact CE2-CB 4.25Å; Y121-P224 HydrophobicContact CG-CB 3.59Å; F157-P224 HydrophobicContact CD1-CB 4.26Å; F157-P224 HydrophobicContact CD1-CG 4.39Å; F157-P224 HydrophobicContact CD2-CB 4.46Å; F157-P224 HydrophobicContact CD2-CG 4.07Å; F157-P224 VanDerWaalsContact CE1-CA 3.44Å; F157-P224 HydrophobicContact CE1-CB 3.71Å; F157-P224 HydrophobicContact CE1-CG 4.27Å; F157-P224 HydrophobicContact CE2-CB 3.91Å; F157-P224 HydrophobicContact CE2-CG 3.91Å; F157-P224 HydrophobicContact CG-CG 4.33Å; F157-P224 HydrophobicContact CZ-CB 3.52Å; F157-P224 HydrophobicContact CZ-CG 4.02Å; G222-P224 WeakPolarHBondContact O-CD 3.33Å; P224-L226 VanDerWaalsContact C-N 3.33Å; P224-L226 PolarHBondContact O-N 3.18Å; P224-V227 PolarHBondContact O-N 2.88Å; P224-L228 WeakPolarHBondContact O-CB 3.35Å; P224-L228 WeakPolarHBondContact O-CG 3.44Å; P224-L228 PolarHBondContact O-N 3.28Å
225H84.1Confident92.5Very high55 Ų5529.1 Ų29.126%0.25516%0.164SC..Hα-helixtrans-64.3-34.4-17863.7-82000113H119 K223 G229H119-H225 HydrophobicContact CB-CB 4.47Å; H119-H225 WeakPolarHBondContact CB-ND1 3.31Å; H119-H225 AromaticContact CD2-CE1 3.76Å; H119-H225 AromaticContact CD2-NE2 3.91Å; H119-H225 AromaticContact CG-CE1 3.6Å; H119-H225 AromaticContact CG-ND1 3.92Å; H119-H225 AromaticContact CG-NE2 3.71Å; H119-H225 AromaticContact ND1-NE2 3.93Å; K223-H225 PolarHBondContact O-N 3.32Å; H225-G229 PolarHBondContact O-N 3.28Å
226L89.1Confident92.7Very high29 Ų2930.5 Ų30.515%0.15216%0.162CC..Hα-helixtrans-75.5-41.9176.9-59.6-173.6000111.5I214 D218 K223 P224 G229 L230I214-L226 HydrophobicContact CG1-CD2 4.28Å; I214-L226 HydrophobicContact CG2-CB 4.41Å; I214-L226 HydrophobicContact CG2-CD1 4.47Å; D218-L226 HydrophobicContact CB-CD1 3.5Å; K223-L226 HydrophobicContact CB-CB 4.41Å; K223-L226 HydrophobicContact CB-CD1 4.33Å; K223-L226 HydrophobicContact CB-CG 4.35Å; K223-L226 HydrophobicContact CD-CD1 4.18Å; K223-L226 PolarHBondContact O-N 2.9Å; K223-L226 VanDerWaalsContact O-N 3.14Å; P224-L226 VanDerWaalsContact C-N 3.33Å; P224-L226 PolarHBondContact O-N 3.18Å; L226-G229 PolarHBondContact O-N 3.25Å; L226-L230 VanDerWaalsContact O-CB 3.32Å; L226-L230 WeakPolarHBondContact O-CB 3.49Å; L226-L230 PolarHBondContact O-N 3.39Å
227V94.8Very high92.6Very high0 Ų032.6 Ų32.60%017%0.172CC..Hα-helixtrans-61.9-51.6177.2170.30000110.5F157 V160 L219 K223 P224 G229 L230 L231F157-V227 HydrophobicContact CD1-CB 4.02Å; F157-V227 HydrophobicContact CD1-CG1 3.96Å; F157-V227 HydrophobicContact CD1-CG2 4.39Å; F157-V227 HydrophobicContact CE1-CB 4.3Å; F157-V227 HydrophobicContact CE1-CG1 4.27Å; V160-V227 HydrophobicContact CG1-CG1 4.18Å; V160-V227 HydrophobicContact CG2-CB 4.47Å; V160-V227 HydrophobicContact CG2-CG1 3.76Å; V160-V227 HydrophobicContact CG2-CG2 3.79Å; L219-V227 HydrophobicContact CD2-CG2 4.02Å; K223-V227 WeakPolarHBondContact O-CG2 3.29Å; K223-V227 PolarHBondContact O-N 3.47Å; P224-V227 PolarHBondContact O-N 2.88Å; V227-G229 PolarHBondContact O-N 3.34Å; V227-L230 PolarHBondContact O-N 3.1Å; V227-L231 HydrophobicContact CG1-CD1 3.79Å; V227-L231 HydrophobicContact CG1-CG 4.45Å; V227-L231 WeakPolarHBondContact O-CB 3.46Å; V227-L231 WeakPolarHBondContact O-CG 3.14Å; V227-L231 PolarHBondContact O-N 3.04Å
228L91.8Very high92.6Very high2 Ų229.3 Ų29.31%0.0116%0.162CC..Hα-helixtrans-65.2-40.5179.6-66.7173.1000111.8Y121 K126 F129 L156 F157 P224 L230 L231 W232Y121-L228 HydrophobicContact CD2-CD1 3.44Å; Y121-L228 VanDerWaalsContact CD2-CD1 3.44Å; Y121-L228 HydrophobicContact CE2-CD1 4.37Å; Y121-L228 HydrophobicContact CG-CD1 4.02Å; K126-L228 HydrophobicContact CB-CD1 4.37Å; K126-L228 HydrophobicContact CB-CD2 4.15Å; F129-L228 HydrophobicContact CD2-CD2 3.62Å; F129-L228 HydrophobicContact CE2-CB 4.4Å; F129-L228 HydrophobicContact CE2-CD2 4.09Å; L156-L228 HydrophobicContact CD2-CD2 3.62Å; F157-L228 HydrophobicContact CE1-CD1 4.28Å; F157-L228 HydrophobicContact CE1-CD2 4.3Å; F157-L228 HydrophobicContact CE1-CG 3.97Å; F157-L228 HydrophobicContact CZ-CD1 4.15Å; F157-L228 HydrophobicContact CZ-CG 4.32Å; P224-L228 WeakPolarHBondContact O-CB 3.35Å; P224-L228 WeakPolarHBondContact O-CG 3.44Å; P224-L228 PolarHBondContact O-N 3.28Å; L228-L230 PolarHBondContact O-N 3.19Å; L228-L231 PolarHBondContact O-N 3.42Å; L228-W232 WeakPolarHBondContact O-CB 3.27Å; L228-W232 PolarHBondContact O-N 3.09Å
229G89.9Confident92.6Very high27 Ų2728.3 Ų28.328%0.27816%0.156SC..Hα-helixtrans-62.1-40.9176.300000113.1H225 L226 V227 Q233H225-G229 PolarHBondContact O-N 3.28Å; L226-G229 PolarHBondContact O-N 3.25Å; V227-G229 PolarHBondContact O-N 3.34Å; G229-Q233 WeakPolarHBondContact O-CG 3.39Å; G229-Q233 PolarHBondContact O-N 3.32Å; G229-Q233 PolarHBondContact O-NE2 3.11Å
230L94.3Very high92.4Very high1 Ų129.3 Ų29.31%0.00516%0.161CC..Hα-helixtrans-70.9-46.8176.5179.658.3000111.8L166 L201 A204 C209 V211 I214 L219 L226 V227 L228 W232 Q233 I234L166-L230 HydrophobicContact CD2-CD2 4.49Å; L201-L230 HydrophobicContact CD2-CD2 4.13Å; A204-L230 HydrophobicContact CB-CD1 3.98Å; C209-L230 HydrophobicContact CB-CD1 4.3Å; V211-L230 HydrophobicContact CG1-CD1 3.9Å; I214-L230 HydrophobicContact CD1-CB 4.13Å; L219-L230 HydrophobicContact CD1-CD2 3.99Å; L219-L230 HydrophobicContact CD2-CD2 4.09Å; L226-L230 VanDerWaalsContact O-CB 3.32Å; L226-L230 WeakPolarHBondContact O-CB 3.49Å; L226-L230 PolarHBondContact O-N 3.39Å; V227-L230 PolarHBondContact O-N 3.1Å; L228-L230 PolarHBondContact O-N 3.19Å; L230-W232 VanDerWaalsContact C-N 3.32Å; L230-W232 PolarHBondContact O-N 2.96Å; L230-Q233 PolarHBondContact O-N 3.24Å; L230-I234 HydrophobicContact CD1-CD1 4.01Å; L230-I234 HydrophobicContact CD1-CG1 4.33Å; L230-I234 HydrophobicContact CG-CD1 3.86Å; L230-I234 WeakPolarHBondContact O-CG1 3.24Å; L230-I234 PolarHBondContact O-N 3.42Å
231L96Very high92.1Very high0 Ų026.4 Ų26.40%016%0.157CC..Hα-helixtrans-58.6-44.5177.4-78.3171.4000111.4F129 I133 L156 V160 L166 M169 V227 L228 Q233 I234 I235F129-L231 HydrophobicContact CD2-CB 4.19Å; I133-L231 HydrophobicContact CD1-CD1 4.17Å; I133-L231 HydrophobicContact CD1-CD2 4.19Å; L156-L231 HydrophobicContact CD1-CD1 3.92Å; L156-L231 HydrophobicContact CD2-CD1 4.06Å; L156-L231 HydrophobicContact CG-CD1 4.31Å; V160-L231 HydrophobicContact CG1-CD1 4.49Å; L166-L231 HydrophobicContact CD2-CD2 3.8Å; L166-L231 HydrophobicContact CD2-CG 4.26Å; M169-L231 HydrophobicContact CG-CD2 4.36Å; V227-L231 HydrophobicContact CG1-CD1 3.79Å; V227-L231 HydrophobicContact CG1-CG 4.45Å; V227-L231 WeakPolarHBondContact O-CB 3.46Å; V227-L231 WeakPolarHBondContact O-CG 3.14Å; V227-L231 PolarHBondContact O-N 3.04Å; L228-L231 PolarHBondContact O-N 3.42Å; L231-Q233 VanDerWaalsContact C-N 3.33Å; L231-Q233 PolarHBondContact O-N 3.22Å; L231-I234 PolarHBondContact O-N 3.38Å; L231-I235 HydrophobicContact CB-CD1 4.5Å; L231-I235 WeakPolarHBondContact O-CB 3.46Å; L231-I235 WeakPolarHBondContact O-CD1 3.36Å; L231-I235 WeakPolarHBondContact O-CG1 3.05Å; L231-I235 PolarHBondContact O-N 3.05Å
232W93.2Very high91.7Very high28 Ų2826.6 Ų26.611%0.10615%0.147CC..Hα-helixtrans-57.6-46176.1173-116.5000112.1F129 L228 L230 I234 I235 K236 K373 A377F129-W232 AromaticContact CE1-CE3 3.85Å; F129-W232 HydrophobicContact CE1-CE3 3.85Å; F129-W232 HydrophobicContact CE1-CZ3 4.46Å; F129-W232 HydrophobicContact CE2-CB 4.05Å; F129-W232 HydrophobicContact CZ-CB 3.8Å; F129-W232 HydrophobicContact CZ-CD2 4.32Å; F129-W232 AromaticContact CZ-CE3 3.73Å; F129-W232 HydrophobicContact CZ-CE3 3.73Å; F129-W232 HydrophobicContact CZ-CG 4.39Å; L228-W232 WeakPolarHBondContact O-CB 3.27Å; L228-W232 PolarHBondContact O-N 3.09Å; L230-W232 VanDerWaalsContact C-N 3.32Å; L230-W232 PolarHBondContact O-N 2.96Å; W232-I234 PolarHBondContact O-N 3.24Å; W232-I235 HydrophobicContact CZ3-CG2 4.49Å; W232-I235 PolarHBondContact O-N 3.11Å; W232-K236 HydrophobicContact CZ2-CB 4.28Å; W232-K236 HydrophobicContact CZ2-CD 4.04Å; W232-K236 HydrophobicContact CZ2-CG 4.23Å; W232-K236 WeakPolarHBondContact O-CB 3.44Å; W232-K236 PolarHBondContact O-N 3.48Å; W232-K373 HydrophobicContact CD2-CB 4.47Å; W232-K373 HydrophobicContact CD2-CD 3.93Å; W232-K373 HydrophobicContact CG-CD 4.09Å; W232-K373 HydrophobicContact CH2-CB 3.83Å; W232-K373 HydrophobicContact CH2-CG 4.46Å; W232-K373 VanDerWaalsContact CH2-O 3.27Å; W232-K373 WeakPolarHBondContact CH2-O 3.08Å; W232-K373 HydrophobicContact CZ2-CB 3.78Å; W232-K373 HydrophobicContact CZ2-CD 4.2Å; W232-K373 HydrophobicContact CZ2-CG 3.89Å; W232-K373 HydrophobicContact CZ3-CB 4.21Å; W232-A377 HydrophobicContact CH2-CB 4.17Å; W232-A377 HydrophobicContact CZ3-CB 3.96Å
233Q93.4Very high91.5Very high53 Ų5326.4 Ų26.425%0.24815%0.145CC..Hα-helixtrans-61.2-44.9178.2-72.2177.982.100111.6C209 H210 G229 L230 L231 K236 I237C209-Q233 HydrophobicContact CB-CB 4.32Å; H210-Q233 PolarHBondContact O-NE2 2.9Å; G229-Q233 WeakPolarHBondContact O-CG 3.39Å; G229-Q233 PolarHBondContact O-N 3.32Å; G229-Q233 PolarHBondContact O-NE2 3.11Å; L230-Q233 PolarHBondContact O-N 3.24Å; L231-Q233 VanDerWaalsContact C-N 3.33Å; L231-Q233 PolarHBondContact O-N 3.22Å; Q233-K236 PolarHBondContact O-N 2.9Å; Q233-I237 WeakPolarHBondContact O-CG1 3.47Å; Q233-I237 PolarHBondContact O-N 3.41Å; Q233-I237 VanDerWaalsContact O-N 3.12Å
234I96.5Very high91.4Very high1 Ų126.3 Ų26.31%0.00515%0.145CC..Hα-helixtrans-61.6-49.2177.2-66.5164.2000110.6M169 I170 S173 L230 L231 W232 K236 I237 G238M169-I234 HydrophobicContact CB-CG2 4.08Å; I170-I234 HydrophobicContact CD1-CD1 4.38Å; I170-I234 HydrophobicContact CG1-CD1 3.85Å; I170-I234 HydrophobicContact CG1-CG1 4.2Å; I170-I234 HydrophobicContact CG1-CG2 4.31Å; S173-I234 VanDerWaalsContact CB-O 3.25Å; S173-I234 WeakPolarHBondContact CB-O 3.49Å; S173-I234 WeakPolarHBondContact OG-CG2 3.33Å; S173-I234 PolarHBondContact OG-O 3.44Å; L230-I234 HydrophobicContact CD1-CD1 4.01Å; L230-I234 HydrophobicContact CD1-CG1 4.33Å; L230-I234 HydrophobicContact CG-CD1 3.86Å; L230-I234 WeakPolarHBondContact O-CG1 3.24Å; L230-I234 PolarHBondContact O-N 3.42Å; L231-I234 PolarHBondContact O-N 3.38Å; W232-I234 PolarHBondContact O-N 3.24Å; I234-K236 PolarHBondContact O-N 3.32Å; I234-I237 PolarHBondContact O-N 3.42Å; I234-G238 PolarHBondContact O-N 3.05Å
235I93.8Very high91.1Very high1 Ų125.4 Ų25.41%0.00514%0.139CC..Hα-helixtrans-57.8-49.3178.5-72.3166.5000110.6F129 W132 L231 W232 I237 G238 L239 F361F129-I235 HydrophobicContact CB-CD1 4.39Å; F129-I235 HydrophobicContact CD1-CD1 3.57Å; F129-I235 HydrophobicContact CD2-CD1 4.44Å; F129-I235 HydrophobicContact CE1-CD1 3.94Å; F129-I235 HydrophobicContact CG-CD1 3.88Å; W132-I235 HydrophobicContact CE3-CD1 3.69Å; W132-I235 HydrophobicContact CE3-CG1 3.69Å; W132-I235 HydrophobicContact CH2-CG1 3.77Å; W132-I235 HydrophobicContact CZ3-CB 4.43Å; W132-I235 HydrophobicContact CZ3-CD1 3.73Å; W132-I235 HydrophobicContact CZ3-CG1 3.23Å; L231-I235 HydrophobicContact CB-CD1 4.5Å; L231-I235 WeakPolarHBondContact O-CB 3.46Å; L231-I235 WeakPolarHBondContact O-CD1 3.36Å; L231-I235 WeakPolarHBondContact O-CG1 3.05Å; L231-I235 PolarHBondContact O-N 3.05Å; W232-I235 HydrophobicContact CZ3-CG2 4.49Å; W232-I235 PolarHBondContact O-N 3.11Å; I235-I237 VanDerWaalsContact C-N 3.33Å; I235-I237 PolarHBondContact O-N 3.48Å; I235-G238 PolarHBondContact O-N 3.05Å; I235-G238 VanDerWaalsContact O-N 3.14Å; I235-L239 HydrophobicContact CG2-CD1 3.66Å; I235-L239 HydrophobicContact CG2-CG 4.11Å; I235-L239 WeakPolarHBondContact O-CG 3.24Å; I235-L239 PolarHBondContact O-N 3.46Å; I235-F361 HydrophobicContact CG2-CE1 3.78Å; I235-F361 HydrophobicContact CG2-CZ 4.23Å
236K91.8Very high91.1Very high58 Ų5824.6 Ų24.625%0.25214%0.139SC..Hα-helixtrans-60.1-42.7-176.5-173.2-175.8179.1-168.40111.6W232 Q233 I234 G238 L239 F240 E270W232-K236 HydrophobicContact CZ2-CB 4.28Å; W232-K236 HydrophobicContact CZ2-CD 4.04Å; W232-K236 HydrophobicContact CZ2-CG 4.23Å; W232-K236 WeakPolarHBondContact O-CB 3.44Å; W232-K236 PolarHBondContact O-N 3.48Å; Q233-K236 PolarHBondContact O-N 2.9Å; I234-K236 PolarHBondContact O-N 3.32Å; K236-G238 VanDerWaalsContact C-N 3.33Å; K236-G238 PolarHBondContact O-N 3.49Å; K236-L239 PolarHBondContact O-N 3.23Å; K236-F240 HydrophobicContact CD-CE2 4.29Å; K236-F240 HydrophobicContact CG-CD2 4.01Å; K236-F240 HydrophobicContact CG-CE2 3.92Å; K236-F240 HydrophobicContact CG-CZ 4.32Å; K236-F240 WeakPolarHBondContact O-CB 3.28Å; K236-F240 WeakPolarHBondContact O-CG 3.35Å; K236-F240 PolarHBondContact O-N 2.92Å; K236-E270 WeakPolarHBondContact CE-OE1 3.31Å; K236-E270 IonicContact NZ-OE1 3.22Å; K236-E270 PolarHBondContact NZ-OE1 3.2Å
237I93.1Very high90.8Very high49 Ų4930.1 Ų30.125%0.25116%0.158SC..Hα-helixtrans-57.6-47.6175.7-71164.7000110.7V174 I207 C209 Q233 I234 I235 F240 A241V174-I237 HydrophobicContact CG2-CG2 3.62Å; I207-I237 HydrophobicContact CD1-CD1 3.88Å; I207-I237 HydrophobicContact CD1-CG2 4.44Å; I207-I237 HydrophobicContact CG1-CD1 3.97Å; I207-I237 WeakPolarHBondContact O-CD1 3.47Å; C209-I237 VanDerWaalsContact SG-CD1 3.54Å; Q233-I237 WeakPolarHBondContact O-CG1 3.47Å; Q233-I237 PolarHBondContact O-N 3.41Å; Q233-I237 VanDerWaalsContact O-N 3.12Å; I234-I237 PolarHBondContact O-N 3.42Å; I235-I237 VanDerWaalsContact C-N 3.33Å; I235-I237 PolarHBondContact O-N 3.48Å; I237-F240 PolarHBondContact O-N 3.38Å; I237-A241 PolarHBondContact O-N 2.82Å; I237-A241 VanDerWaalsContact O-N 3.12Å
238G93.1Very high90.4Very high19 Ų1931.8 Ų31.820%0.19617%0.167CC..Hα-helixtrans-65.5-42.7179.600000113S173 I234 I235 K236 F240 A241S173-G238 WeakPolarHBondContact O-CA 3.33Å; I234-G238 PolarHBondContact O-N 3.05Å; I235-G238 PolarHBondContact O-N 3.05Å; I235-G238 VanDerWaalsContact O-N 3.14Å; K236-G238 VanDerWaalsContact C-N 3.33Å; K236-G238 PolarHBondContact O-N 3.49Å; G238-F240 PolarHBondContact O-N 3.38Å; G238-A241 PolarHBondContact O-N 3.41Å
239L92.1Very high90.2Very high12 Ų1235.6 Ų35.66%0.06319%0.185CC..Hα-helixtrans-63.5-30.8178.3-72.7178000112.9I235 K236 F361 A377 A380 N384I235-L239 HydrophobicContact CG2-CD1 3.66Å; I235-L239 HydrophobicContact CG2-CG 4.11Å; I235-L239 WeakPolarHBondContact O-CG 3.24Å; I235-L239 PolarHBondContact O-N 3.46Å; K236-L239 PolarHBondContact O-N 3.23Å; L239-F361 HydrophobicContact CD1-CE1 4.23Å; L239-F361 HydrophobicContact CD1-CE2 4.23Å; L239-F361 HydrophobicContact CD1-CZ 3.84Å; L239-F361 HydrophobicContact CD2-CE2 4.02Å; L239-F361 HydrophobicContact CD2-CZ 3.93Å; L239-F361 HydrophobicContact CG-CZ 4.32Å; L239-A377 HydrophobicContact CD1-CB 3.63Å; L239-A380 HydrophobicContact CB-CB 4.06Å; L239-A380 HydrophobicContact CD1-CB 4.48Å; L239-N384 PolarHBondContact O-ND2 3.46Å
240F91.4Very high90.1Very high22 Ų2235.1 Ų35.110%0.09618%0.178CC..Hα-helixtrans-97.8-5.9-175-70.72.7000113.8K236 I237 G238 D242 I243 P269 E270 L376 A380K236-F240 HydrophobicContact CD-CE2 4.29Å; K236-F240 HydrophobicContact CG-CD2 4.01Å; K236-F240 HydrophobicContact CG-CE2 3.92Å; K236-F240 HydrophobicContact CG-CZ 4.32Å; K236-F240 WeakPolarHBondContact O-CB 3.28Å; K236-F240 WeakPolarHBondContact O-CG 3.35Å; K236-F240 PolarHBondContact O-N 2.92Å; I237-F240 PolarHBondContact O-N 3.38Å; G238-F240 PolarHBondContact O-N 3.38Å; F240-D242 PolarHBondContact O-N 3.4Å; F240-D242 VanDerWaalsContact O-N 3.17Å; F240-I243 HydrophobicContact CD1-CD1 3.64Å; F240-I243 HydrophobicContact CE1-CD1 4.13Å; F240-I243 HydrophobicContact CG-CD1 4.38Å; F240-I243 PolarHBondContact O-N 3.45Å; F240-I243 VanDerWaalsContact O-N 3.07Å; F240-P269 HydrophobicContact CB-CB 3.88Å; F240-P269 HydrophobicContact CB-CG 4.24Å; F240-P269 HydrophobicContact CD1-CB 4.49Å; F240-P269 HydrophobicContact CD2-CB 3.44Å; F240-P269 VanDerWaalsContact CD2-CB 3.44Å; F240-P269 HydrophobicContact CD2-CG 4.04Å; F240-P269 HydrophobicContact CE2-CB 3.96Å; F240-P269 HydrophobicContact CG-CB 3.72Å; F240-P269 HydrophobicContact CG-CG 4.45Å; F240-E270 VanDerWaalsContact CE2-CD 3.44Å; F240-E270 HydrophobicContact CE2-CG 3.74Å; F240-E270 HydrophobicContact CZ-CG 3.89Å; F240-L376 HydrophobicContact CE1-CG 4.3Å; F240-L376 HydrophobicContact CZ-CD1 4.03Å; F240-L376 HydrophobicContact CZ-CD2 3.74Å; F240-L376 HydrophobicContact CZ-CG 3.79Å; F240-A380 HydrophobicContact CD1-CB 4.17Å; F240-A380 HydrophobicContact CE1-CB 3.85Å
241A88.3Confident90Very high32 Ų3235 Ų3526%0.26418%0.178SC..THydrogen-bonded Turntrans-55.3-37-176.200000112.7I237 G238 R247I237-A241 PolarHBondContact O-N 2.82Å; I237-A241 VanDerWaalsContact O-N 3.12Å; G238-A241 PolarHBondContact O-N 3.41Å; A241-R247 WeakPolarHBondContact O-CD 3.39Å; A241-R247 PolarHBondContact O-NE 3.32Å
242D85.7Confident89.7Confident79 Ų7935.1 Ų35.142%0.42218%0.179SC..THydrogen-bonded Turntrans-99.82.6-178.2-61.5-37.9000113.8F240 E244 R247F240-D242 PolarHBondContact O-N 3.4Å; F240-D242 VanDerWaalsContact O-N 3.17Å; D242-E244 PolarHBondContact O-N 2.86Å; D242-E244 VanDerWaalsContact O-N 3.12Å; D242-R247 IonicContact OD1-NH1 2.78Å
243I90.3Very high89.6Confident2 Ų235 Ų351%0.0118%0.184CC..  trans-9056176.6-44.8-178000109F240 P269 L272 L273 A380 F383F240-I243 HydrophobicContact CD1-CD1 3.64Å; F240-I243 HydrophobicContact CE1-CD1 4.13Å; F240-I243 HydrophobicContact CG-CD1 4.38Å; F240-I243 PolarHBondContact O-N 3.45Å; F240-I243 VanDerWaalsContact O-N 3.07Å; I243-P269 HydrophobicContact CB-CB 4.32Å; I243-P269 HydrophobicContact CG2-CB 4.42Å; I243-L272 HydrophobicContact CG2-CB 4.02Å; I243-L273 HydrophobicContact CD1-CD1 4.18Å; I243-L273 HydrophobicContact CD1-CD2 4.34Å; I243-A380 HydrophobicContact CD1-CB 4.04Å; I243-F383 HydrophobicContact CB-CE1 4.26Å; I243-F383 HydrophobicContact CD1-CD1 4.2Å; I243-F383 HydrophobicContact CG1-CD1 3.67Å; I243-F383 HydrophobicContact CG1-CE1 3.8Å; I243-F383 HydrophobicContact CG2-CE1 4.35Å
244E86.4Confident89.5Confident59 Ų5932.8 Ų32.828%0.27617%0.174SC..SBendtrans-147.5138.6-177.7-167-170.2151.200109.7D242 S246 R247 N248D242-E244 PolarHBondContact O-N 2.86Å; D242-E244 VanDerWaalsContact O-N 3.12Å; E244-S246 VanDerWaalsContact C-N 3.29Å; E244-S246 PolarHBondContact O-N 3.47Å; E244-S246 PolarHBondContact OE1-OG 3.29Å; E244-R247 PolarHBondContact O-N 2.97Å; E244-R247 VanDerWaalsContact O-N 3.13Å; E244-N248 PolarHBondContact O-N 3.26Å
245L84.9Confident89.2Confident4 Ų435 Ų352%0.02119%0.185CC..THydrogen-bonded Turntrans-61.8-34.4-175.7-86.376.4000113.4R247 N248 E249 L251 L261 L264 M265 L272 L402L245-R247 PolarHBondContact O-N 3.16Å; L245-N248 CarbonylContact O-C 3.34Å; L245-N248 PolarHBondContact O-N 3.24Å; L245-E249 PolarHBondContact O-N 3.45Å; L245-L251 HydrophobicContact CD1-CB 3.88Å; L245-L251 HydrophobicContact CD1-CD1 4.25Å; L245-L251 HydrophobicContact CG-CB 3.89Å; L245-L261 HydrophobicContact CD2-CD1 3.48Å; L245-L261 VanDerWaalsContact CD2-CD1 3.48Å; L245-L261 HydrophobicContact CD2-CG 4.26Å; L245-L264 HydrophobicContact CD1-CD2 4.29Å; L245-L264 HydrophobicContact CD1-CG 4.09Å; L245-L264 HydrophobicContact CD2-CD2 3.83Å; L245-L264 HydrophobicContact CD2-CG 4.11Å; L245-M265 HydrophobicContact CB-CG 4.45Å; L245-M265 HydrophobicContact CD2-CG 3.99Å; L245-L272 HydrophobicContact CD1-CD1 4.06Å; L245-L272 HydrophobicContact CD1-CD2 3.98Å; L245-L402 HydrophobicContact CB-CD2 3.83Å; L245-L402 HydrophobicContact CD2-CD2 4.19Å
246S82.6Confident89Confident38 Ų3841.6 Ų41.627%0.26621%0.21SC..THydrogen-bonded Turntrans-64.9-22.817966.30000113E244E244-S246 VanDerWaalsContact C-N 3.29Å; E244-S246 PolarHBondContact O-N 3.47Å; E244-S246 PolarHBondContact OE1-OG 3.29Å
247R82.7Confident88.6Confident146 Ų14647.3 Ų47.355%0.55124%0.243SC*.THydrogen-bonded Turntrans-103.2-29.5178.7-72172.6174.3-94.3-2.9112.8A241 D242 E244 L245A241-R247 WeakPolarHBondContact O-CD 3.39Å; A241-R247 PolarHBondContact O-NE 3.32Å; D242-R247 IonicContact OD1-NH1 2.78Å; E244-R247 PolarHBondContact O-N 2.97Å; E244-R247 VanDerWaalsContact O-N 3.13Å; L245-R247 PolarHBondContact O-N 3.16Å
248N86.8Confident88.2Confident34 Ų3449 Ų4918%0.18227%0.273CS..  trans-13486.8180-171.6-11.3000110.7E244 L245 A250 L251E244-N248 PolarHBondContact O-N 3.26Å; L245-N248 CarbonylContact O-C 3.34Å; L245-N248 PolarHBondContact O-N 3.24Å; N248-A250 PolarHBondContact O-N 2.94Å; N248-A250 WeakPolarHBondContact OD1-CB 3.47Å; N248-A250 PolarHBondContact OD1-N 3.09Å; N248-L251 HydrophobicContact CB-CD1 4.09Å; N248-L251 HydrophobicContact CB-CG 4.31Å; N248-L251 VanDerWaalsContact O-CB 3.27Å; N248-L251 WeakPolarHBondContact O-CB 3.42Å; N248-L251 WeakPolarHBondContact O-CG 3.38Å; N248-L251 PolarHBondContact O-N 3.38Å
249E87.6Confident88Confident83 Ų8350.4 Ų50.439%0.38827%0.274SS..G310 helixtrans-58.6-22.1-179.5-59.1-178161.900113.4L245 L251 A252 K391 W399 L402L245-E249 PolarHBondContact O-N 3.45Å; E249-L251 PolarHBondContact O-N 3.49Å; E249-A252 VanDerWaalsContact O-CB 3.26Å; E249-A252 WeakPolarHBondContact O-CB 3.44Å; E249-A252 PolarHBondContact O-N 3.48Å; E249-K391 HydrophobicContact CB-CD 4.37Å; E249-K391 WeakPolarHBondContact OE2-CD 3.45Å; E249-K391 WeakPolarHBondContact OE2-CE 3.48Å; E249-K391 IonicContact OE2-NZ 3.71Å; E249-K391 PolarHBondContact OE2-NZ 2.96Å; E249-W399 HydrophobicContact CB-CZ3 4.05Å; E249-L402 HydrophobicContact CB-CD1 4.42Å; E249-L402 HydrophobicContact CG-CD1 3.91Å
250A88.9Confident87.8Confident16 Ų1653.1 Ų53.113%0.13229%0.291CS..G310 helixtrans-65-19.8177.500000112.3N248 A252 A253 L389N248-A250 PolarHBondContact O-N 2.94Å; N248-A250 WeakPolarHBondContact OD1-CB 3.47Å; N248-A250 PolarHBondContact OD1-N 3.09Å; A250-A252 PolarHBondContact O-N 3.4Å; A250-A253 WeakPolarHBondContact O-CB 3.43Å; A250-A253 PolarHBondContact O-N 2.91Å; A250-L389 HydrophobicContact CB-CB 3.74Å; A250-L389 WeakPolarHBondContact O-CD1 3.46Å
251L90.8Very high87.5Confident0 Ų052.7 Ų52.70%029%0.29CS..G310 helixtrans-59.2-22.6171.1-74.9169.8000113.1L245 N248 E249 A253 L254 F383 L389L245-L251 HydrophobicContact CD1-CB 3.88Å; L245-L251 HydrophobicContact CD1-CD1 4.25Å; L245-L251 HydrophobicContact CG-CB 3.89Å; N248-L251 HydrophobicContact CB-CD1 4.09Å; N248-L251 HydrophobicContact CB-CG 4.31Å; N248-L251 VanDerWaalsContact O-CB 3.27Å; N248-L251 WeakPolarHBondContact O-CB 3.42Å; N248-L251 WeakPolarHBondContact O-CG 3.38Å; N248-L251 PolarHBondContact O-N 3.38Å; E249-L251 PolarHBondContact O-N 3.49Å; L251-A253 PolarHBondContact O-N 3.13Å; L251-A253 VanDerWaalsContact O-N 3.14Å; L251-L254 HydrophobicContact CD2-CD1 3.61Å; L251-L254 VanDerWaalsContact O-CB 3.23Å; L251-L254 WeakPolarHBondContact O-CB 3.43Å; L251-L254 WeakPolarHBondContact O-CG 3.43Å; L251-L254 PolarHBondContact O-N 2.96Å; L251-F383 HydrophobicContact CD1-CZ 4.15Å; L251-F383 HydrophobicContact CD2-CE2 3.58Å; L251-F383 HydrophobicContact CD2-CZ 3.56Å; L251-F383 HydrophobicContact CG-CE2 4.42Å; L251-F383 HydrophobicContact CG-CZ 3.98Å; L251-L389 HydrophobicContact CD2-CD1 4.01Å
252A90.2Very high87.3Confident2 Ų256 Ų562%0.01730%0.3CS..G310 helixtrans-60.1-21.8173.200000112.9E249 A250 L254 L255 L261 P392 I397 W399E249-A252 VanDerWaalsContact O-CB 3.26Å; E249-A252 WeakPolarHBondContact O-CB 3.44Å; E249-A252 PolarHBondContact O-N 3.48Å; A250-A252 PolarHBondContact O-N 3.4Å; A252-L254 PolarHBondContact O-N 2.89Å; A252-L254 VanDerWaalsContact O-N 3.13Å; A252-L255 WeakPolarHBondContact O-CB 3.48Å; A252-L255 WeakPolarHBondContact O-CG 3.4Å; A252-L255 PolarHBondContact O-N 3.18Å; A252-L255 VanDerWaalsContact O-N 3.15Å; A252-L261 HydrophobicContact CB-CD1 4.22Å; A252-P392 HydrophobicContact CB-CG 3.98Å; A252-I397 HydrophobicContact CB-CD1 4.43Å; A252-W399 HydrophobicContact CB-CH2 3.71Å; A252-W399 HydrophobicContact CB-CZ3 3.93Å
253A90.5Very high87.3Confident26 Ų2656.6 Ų56.622%0.21530%0.3CS..G310 helixtrans-62.1-16172.100000113.4A250 L251 L255 L389A250-A253 WeakPolarHBondContact O-CB 3.43Å; A250-A253 PolarHBondContact O-N 2.91Å; L251-A253 PolarHBondContact O-N 3.13Å; L251-A253 VanDerWaalsContact O-N 3.14Å; A253-L255 VanDerWaalsContact C-N 3.3Å; A253-L389 HydrophobicContact CB-CD2 4.4Å
254L91.9Very high87.1Confident6 Ų656.5 Ų56.53%0.03130%0.3CS..G310 helixtrans-81.8-7.2178.5-57.4179.8000113.1L251 A252 R275 W276 F279 L389L251-L254 HydrophobicContact CD2-CD1 3.61Å; L251-L254 VanDerWaalsContact O-CB 3.23Å; L251-L254 WeakPolarHBondContact O-CB 3.43Å; L251-L254 WeakPolarHBondContact O-CG 3.43Å; L251-L254 PolarHBondContact O-N 2.96Å; A252-L254 PolarHBondContact O-N 2.89Å; A252-L254 VanDerWaalsContact O-N 3.13Å; L254-R275 HydrophobicContact CB-CG 4.18Å; L254-R275 HydrophobicContact CD1-CG 4.46Å; L254-R275 PolarHBondContact O-NE 3.04Å; L254-R275 PolarHBondContact O-NH2 3.4Å; L254-W276 HydrophobicContact CD1-CB 3.93Å; L254-W276 HydrophobicContact CD2-CB 4.42Å; L254-F279 HydrophobicContact CD2-CB 3.6Å; L254-F279 HydrophobicContact CD2-CD1 4.17Å; L254-F279 HydrophobicContact CD2-CD2 4.15Å; L254-F279 HydrophobicContact CD2-CG 3.72Å; L254-L389 HydrophobicContact CD1-CD1 4.31Å; L254-L389 HydrophobicContact CD2-CD1 4.11Å; L254-L389 HydrophobicContact CD2-CD2 3.98Å; L254-L389 HydrophobicContact CG-CD1 4.03Å
255L90.3Very high87Confident46 Ų4656.1 Ų56.124%0.24130%0.299CS..PPolyproline II helixtrans-53138.2177.5-79.8168.5000111.5A252 A253 E259 T260 L261 L264 I397A252-L255 WeakPolarHBondContact O-CB 3.48Å; A252-L255 WeakPolarHBondContact O-CG 3.4Å; A252-L255 PolarHBondContact O-N 3.18Å; A252-L255 VanDerWaalsContact O-N 3.15Å; A253-L255 VanDerWaalsContact C-N 3.3Å; L255-E259 HydrophobicContact CD2-CG 4.46Å; L255-T260 WeakPolarHBondContact CD2-O 3.23Å; L255-L261 HydrophobicContact CD1-CD1 4.17Å; L255-L264 HydrophobicContact CD2-CB 3.82Å; L255-L264 HydrophobicContact CD2-CD2 3.83Å; L255-L264 HydrophobicContact CD2-CG 4.43Å; L255-L264 HydrophobicContact CG-CD2 3.77Å; L255-I397 HydrophobicContact CD1-CD1 4.11Å; L255-I397 HydrophobicContact CD1-CG1 4.41Å
256R89.2Confident87Confident141 Ų14161 Ų6153%0.53232%0.32SS..PPolyproline II helixtrans-97.2158.9176.1-82.8162.3-168.1178.85.5109.5G258 E259 R275R256-G258 PolarHBondContact O-N 2.83Å; R256-G258 VanDerWaalsContact O-N 3.15Å; R256-E259 HydrophobicContact CB-CB 4.34Å; R256-E259 PolarHBondContact N-OE2 3.47Å; R256-E259 WeakPolarHBondContact O-CB 3.4Å; R256-E259 PolarHBondContact O-N 2.88Å; R256-R275 VanDerWaalsContact CD-NH2 3.29Å
257D84.5Confident87.2Confident177 Ų17760.9 Ų60.995%0.94732%0.316SS*.THydrogen-bonded Turntrans-54.7121.2175.2-63.1-30.2000111.1E259D257-E259 VanDerWaalsContact C-N 3.35Å
258G84.4Confident87.4Confident86 Ų8654.8 Ų54.889%0.88730%0.296SS*.THydrogen-bonded Turntrans82.51.9178.900000115.9R256R256-G258 PolarHBondContact O-N 2.83Å; R256-G258 VanDerWaalsContact O-N 3.15Å
259E88.9Confident87.5Confident47 Ų4754.2 Ų54.222%0.2229%0.294CS..  trans-93.5143.1174.8-171.1-170.5-134.900111.2L255 R256 D257 E263 R275L255-E259 HydrophobicContact CD2-CG 4.46Å; R256-E259 HydrophobicContact CB-CB 4.34Å; R256-E259 PolarHBondContact N-OE2 3.47Å; R256-E259 WeakPolarHBondContact O-CB 3.4Å; R256-E259 PolarHBondContact O-N 2.88Å; D257-E259 VanDerWaalsContact C-N 3.35Å; E259-E263 WeakPolarHBondContact CA-OE2 3.16Å; E259-E263 HydrophobicContact CG-CB 3.7Å; E259-E263 VanDerWaalsContact CG-OE2 3.3Å; E259-E263 WeakPolarHBondContact CG-OE2 3.19Å; E259-R275 IonicContact OE1-CZ 2.73Å; E259-R275 IonicContact OE1-NH1 3.86Å; E259-R275 PolarHBondContact OE1-NH1 3.47Å; E259-R275 IonicContact OE1-NH2 3.58Å; E259-R275 IonicContact OE2-CZ 3.26Å; E259-R275 IonicContact OE2-NH1 3.97Å; E259-R275 PolarHBondContact OE2-NH1 3.15Å; E259-R275 IonicContact OE2-NH2 3.24Å; E259-R275 PolarHBondContact OE2-NH2 2.91Å
260T87.3Confident87.6Confident69 Ų6952.8 Ų52.842%0.42329%0.287SS..  trans-90.1160.9177.672.60000112.7L255 E262 E263 L264L255-T260 WeakPolarHBondContact CD2-O 3.23Å; T260-E262 VanDerWaalsContact C-N 3.26Å; T260-E262 PolarHBondContact O-N 3.44Å; T260-E263 PolarHBondContact N-OE2 2.91Å; T260-E263 PolarHBondContact O-N 3.23Å; T260-E263 WeakPolarHBondContact OG1-CG 3.11Å; T260-E263 PolarHBondContact OG1-N 2.83Å; T260-L264 PolarHBondContact O-N 3.01Å
261L85.2Confident87.6Confident13 Ų1356.8 Ų56.87%0.06830%0.303CS..Hα-helixtrans-58.4-39.4174.3-167.368.1000111.9L245 A252 L255 E263 L264 M265 I397 L401 L402L245-L261 HydrophobicContact CD2-CD1 3.48Å; L245-L261 VanDerWaalsContact CD2-CD1 3.48Å; L245-L261 HydrophobicContact CD2-CG 4.26Å; A252-L261 HydrophobicContact CB-CD1 4.22Å; L255-L261 HydrophobicContact CD1-CD1 4.17Å; L261-E263 VanDerWaalsContact C-N 3.32Å; L261-E263 PolarHBondContact O-N 3.36Å; L261-L264 PolarHBondContact O-N 3.24Å; L261-M265 HydrophobicContact CG-SD 4.33Å; L261-M265 VanDerWaalsContact O-CG 3.28Å; L261-M265 WeakPolarHBondContact O-CG 3.42Å; L261-M265 PolarHBondContact O-N 2.67Å; L261-I397 HydrophobicContact CD1-CG2 4.34Å; L261-I397 HydrophobicContact CD2-CG2 3.94Å; L261-L401 HydrophobicContact CD2-CB 4.26Å; L261-L402 HydrophobicContact CD1-CD2 4.47Å; L261-L402 HydrophobicContact CD2-CD2 3.76Å; L261-L402 HydrophobicContact CD2-CG 4.1Å; L261-L402 HydrophobicContact CG-CD2 4.27Å
262E83.5Confident87.6Confident101 Ų10157 Ų5747%0.47230%0.304SS..Hα-helixtrans-63.2-36.1177.5-63.6-179.4179.800112.8T260 M265 K266 L401T260-E262 VanDerWaalsContact C-N 3.26Å; T260-E262 PolarHBondContact O-N 3.44Å; E262-M265 PolarHBondContact O-N 3Å; E262-K266 VanDerWaalsContact O-CG 3.31Å; E262-K266 WeakPolarHBondContact O-CG 3.47Å; E262-K266 PolarHBondContact O-N 3.2Å; E262-L401 HydrophobicContact CG-CD1 4.26Å
263E85.3Confident87.7Confident92 Ų9256.9 Ų56.943%0.4330%0.304SS..Hα-helixtrans-67.6-40.7175.8-72.817415100111.1E259 T260 L261 K266E259-E263 WeakPolarHBondContact CA-OE2 3.16Å; E259-E263 HydrophobicContact CG-CB 3.7Å; E259-E263 VanDerWaalsContact CG-OE2 3.3Å; E259-E263 WeakPolarHBondContact CG-OE2 3.19Å; T260-E263 PolarHBondContact N-OE2 2.91Å; T260-E263 PolarHBondContact O-N 3.23Å; T260-E263 WeakPolarHBondContact OG1-CG 3.11Å; T260-E263 PolarHBondContact OG1-N 2.83Å; L261-E263 VanDerWaalsContact C-N 3.32Å; L261-E263 PolarHBondContact O-N 3.36Å; E263-K266 PolarHBondContact O-N 2.75Å
264L87.9Confident87.8Confident0 Ų057.4 Ų57.40%030%0.303CS..Hα-helixtrans-65.5-39.7174.5-177.363.5000112L245 L255 T260 L261 K266 L267 L272L245-L264 HydrophobicContact CD1-CD2 4.29Å; L245-L264 HydrophobicContact CD1-CG 4.09Å; L245-L264 HydrophobicContact CD2-CD2 3.83Å; L245-L264 HydrophobicContact CD2-CG 4.11Å; L255-L264 HydrophobicContact CD2-CB 3.82Å; L255-L264 HydrophobicContact CD2-CD2 3.83Å; L255-L264 HydrophobicContact CD2-CG 4.43Å; L255-L264 HydrophobicContact CG-CD2 3.77Å; T260-L264 PolarHBondContact O-N 3.01Å; L261-L264 PolarHBondContact O-N 3.24Å; L264-K266 PolarHBondContact O-N 2.82Å; L264-L267 HydrophobicContact CD1-CD1 3.88Å; L264-L267 WeakPolarHBondContact O-CB 3.44Å; L264-L267 PolarHBondContact O-N 3.2Å; L264-L272 HydrophobicContact CD1-CD2 3.61Å; L264-L272 HydrophobicContact CG-CD2 4.13Å
265M84.6Confident87.9Confident51 Ų5157.9 Ų57.925%0.25130%0.304SS..Hα-helixtrans-63.2-25.2177-73.7173.570.700113L245 L261 E262 L267 L401 L402 H427L245-M265 HydrophobicContact CB-CG 4.45Å; L245-M265 HydrophobicContact CD2-CG 3.99Å; L261-M265 HydrophobicContact CG-SD 4.33Å; L261-M265 VanDerWaalsContact O-CG 3.28Å; L261-M265 WeakPolarHBondContact O-CG 3.42Å; L261-M265 PolarHBondContact O-N 2.67Å; E262-M265 PolarHBondContact O-N 3Å; M265-L267 PolarHBondContact O-N 2.93Å; M265-L401 WeakPolarHBondContact CE-O 3.45Å; M265-L402 HydrophobicContact SD-CD2 4.08Å; M265-H427 PolarHBondContact O-CD2 3.07Å; M265-H427 PolarHBondContact O-CE1 2.53Å; M265-H427 PolarHBondContact O-NE2 2.79Å
266K84.3Confident88.1Confident107 Ų10755.7 Ų55.747%0.46529%0.292SS..THydrogen-bonded Turntrans-75.3-12.6177.9-71.9164.8-169.4167.80113.6E262 E263 L264 H427 A430E262-K266 VanDerWaalsContact O-CG 3.31Å; E262-K266 WeakPolarHBondContact O-CG 3.47Å; E262-K266 PolarHBondContact O-N 3.2Å; E263-K266 PolarHBondContact O-N 2.75Å; L264-K266 PolarHBondContact O-N 2.82Å; K266-H427 PolarHBondContact O-CD2 3.14Å; K266-A430 HydrophobicContact CG-CB 4.18Å
267L86.7Confident88.4Confident36 Ų3649 Ų4919%0.18827%0.268CS..SBendtrans-67.7140.8178.5-65.3-170.8000110.8L264 M265 E271 L272 H427L264-L267 HydrophobicContact CD1-CD1 3.88Å; L264-L267 WeakPolarHBondContact O-CB 3.44Å; L264-L267 PolarHBondContact O-N 3.2Å; M265-L267 PolarHBondContact O-N 2.93Å; L267-E271 HydrophobicContact CB-CB 3.97Å; L267-E271 HydrophobicContact CD1-CB 4.34Å; L267-E271 HydrophobicContact CD2-CB 4.16Å; L267-E271 HydrophobicContact CG-CB 4.39Å; L267-L272 HydrophobicContact CB-CD2 4.08Å; L267-L272 HydrophobicContact CB-CG 3.84Å; L267-L272 HydrophobicContact CD1-CD2 4.12Å; L267-H427 PolarHBondContact O-NE2 2.89Å
268S87.1Confident88.8Confident17 Ų1741.1 Ų41.112%0.11923%0.225CC..  trans-64.8157.9167.658.90000111E270 E271 L272S268-E270 PolarHBondContact O-N 2.93Å; S268-E271 WeakPolarHBondContact CB-OE2 3.29Å; S268-E271 PolarHBondContact N-OE2 2.9Å; S268-E271 PolarHBondContact O-N 2.84Å; S268-E271 VanDerWaalsContact OG-CG 3.24Å; S268-E271 WeakPolarHBondContact OG-CG 3.47Å; S268-E271 PolarHBondContact OG-N 2.86Å; S268-E271 PolarHBondContact OG-OE2 3.36Å; S268-L272 PolarHBondContact O-N 2.78Å
269P89.4Confident89.3Confident23 Ų2339.8 Ų39.815%0.14920%0.195CC..Hα-helixtrans-53.3-37.2173.7-28.936.9000113.3F240 I243 L272 L273F240-P269 HydrophobicContact CB-CB 3.88Å; F240-P269 HydrophobicContact CB-CG 4.24Å; F240-P269 HydrophobicContact CD1-CB 4.49Å; F240-P269 HydrophobicContact CD2-CB 3.44Å; F240-P269 VanDerWaalsContact CD2-CB 3.44Å; F240-P269 HydrophobicContact CD2-CG 4.04Å; F240-P269 HydrophobicContact CE2-CB 3.96Å; F240-P269 HydrophobicContact CG-CB 3.72Å; F240-P269 HydrophobicContact CG-CG 4.45Å; I243-P269 HydrophobicContact CB-CB 4.32Å; I243-P269 HydrophobicContact CG2-CB 4.42Å; P269-L272 PolarHBondContact O-N 3.07Å; P269-L273 VanDerWaalsContact O-CB 3.25Å; P269-L273 WeakPolarHBondContact O-CB 3.38Å; P269-L273 PolarHBondContact O-N 2.77Å
270E88.1Confident89.6Confident53 Ų5337.9 Ų37.925%0.24819%0.186CC..Hα-helixtrans-63.5-42.2175.5-66.494154.200113K236 F240 S268 L273 L274 L376K236-E270 WeakPolarHBondContact CE-OE1 3.31Å; K236-E270 IonicContact NZ-OE1 3.22Å; K236-E270 PolarHBondContact NZ-OE1 3.2Å; F240-E270 VanDerWaalsContact CE2-CD 3.44Å; F240-E270 HydrophobicContact CE2-CG 3.74Å; F240-E270 HydrophobicContact CZ-CG 3.89Å; S268-E270 PolarHBondContact O-N 2.93Å; E270-L273 PolarHBondContact O-N 2.69Å; E270-L274 WeakPolarHBondContact O-CB 3.49Å; E270-L274 PolarHBondContact O-N 2.94Å; E270-L376 HydrophobicContact CB-CD1 4.47Å; E270-L376 HydrophobicContact CG-CD1 4.04Å; E270-L376 HydrophobicContact CG-CD2 3.92Å
271E89.1Confident89.9Confident99 Ų9934.6 Ų34.646%0.46317%0.166SC..Hα-helixtrans-69.4-40.7178.5-72.7164.6142.100111.4L267 S268 L273 L274 R275L267-E271 HydrophobicContact CB-CB 3.97Å; L267-E271 HydrophobicContact CD1-CB 4.34Å; L267-E271 HydrophobicContact CD2-CB 4.16Å; L267-E271 HydrophobicContact CG-CB 4.39Å; S268-E271 WeakPolarHBondContact CB-OE2 3.29Å; S268-E271 PolarHBondContact N-OE2 2.9Å; S268-E271 PolarHBondContact O-N 2.84Å; S268-E271 VanDerWaalsContact OG-CG 3.24Å; S268-E271 WeakPolarHBondContact OG-CG 3.47Å; S268-E271 PolarHBondContact OG-N 2.86Å; S268-E271 PolarHBondContact OG-OE2 3.36Å; E271-L273 VanDerWaalsContact C-N 3.34Å; E271-L274 PolarHBondContact O-N 2.89Å; E271-R275 VanDerWaalsContact O-CB 3.23Å; E271-R275 WeakPolarHBondContact O-CB 3.28Å; E271-R275 PolarHBondContact O-N 3.44Å
272L91.6Very high90.3Very high5 Ų538.6 Ų38.63%0.02618%0.184CC..Hα-helixtrans-61-43.2172.6-76.5172.9000111.4I243 L245 L264 L267 S268 P269 R275 W276I243-L272 HydrophobicContact CG2-CB 4.02Å; L245-L272 HydrophobicContact CD1-CD1 4.06Å; L245-L272 HydrophobicContact CD1-CD2 3.98Å; L264-L272 HydrophobicContact CD1-CD2 3.61Å; L264-L272 HydrophobicContact CG-CD2 4.13Å; L267-L272 HydrophobicContact CB-CD2 4.08Å; L267-L272 HydrophobicContact CB-CG 3.84Å; L267-L272 HydrophobicContact CD1-CD2 4.12Å; S268-L272 PolarHBondContact O-N 2.78Å; P269-L272 PolarHBondContact O-N 3.07Å; L272-R275 WeakPolarHBondContact O-CB 3.37Å; L272-R275 PolarHBondContact O-N 3.33Å; L272-W276 WeakPolarHBondContact O-CB 3.49Å; L272-W276 PolarHBondContact O-N 3.03Å
273L92.9Very high90.8Very high0 Ų038.2 Ų38.20%019%0.185CC..Hα-helixtrans-66.8-40.6178.8-170.863.4000112.1I243 P269 E270 E271 R275 W276 A277 F292 L376 V379 A380 F383I243-L273 HydrophobicContact CD1-CD1 4.18Å; I243-L273 HydrophobicContact CD1-CD2 4.34Å; P269-L273 VanDerWaalsContact O-CB 3.25Å; P269-L273 WeakPolarHBondContact O-CB 3.38Å; P269-L273 PolarHBondContact O-N 2.77Å; E270-L273 PolarHBondContact O-N 2.69Å; E271-L273 VanDerWaalsContact C-N 3.34Å; L273-R275 VanDerWaalsContact C-N 3.3Å; L273-R275 PolarHBondContact O-N 2.82Å; L273-W276 HydrophobicContact CD1-CD2 4.46Å; L273-W276 HydrophobicContact CD1-CE3 3.7Å; L273-W276 HydrophobicContact CD1-CZ3 4.1Å; L273-W276 PolarHBondContact O-N 2.98Å; L273-A277 WeakPolarHBondContact O-CB 3.39Å; L273-A277 PolarHBondContact O-N 2.71Å; L273-F292 HydrophobicContact CB-CE2 4.38Å; L273-F292 HydrophobicContact CD2-CE2 4.24Å; L273-F292 HydrophobicContact CG-CE2 4.13Å; L273-F292 HydrophobicContact CG-CZ 4.17Å; L273-L376 HydrophobicContact CD2-CD1 3.9Å; L273-V379 HydrophobicContact CD1-CG1 3.85Å; L273-V379 HydrophobicContact CD2-CB 4.1Å; L273-V379 HydrophobicContact CD2-CG1 3.87Å; L273-V379 HydrophobicContact CG-CB 4.45Å; L273-V379 HydrophobicContact CG-CG1 3.68Å; L273-A380 HydrophobicContact CD2-CB 3.87Å; L273-F383 HydrophobicContact CD1-CB 3.53Å; L273-F383 HydrophobicContact CD1-CD2 4.4Å; L273-F383 HydrophobicContact CD1-CG 4Å
274L91.2Very high91.2Very high37 Ų3735.2 Ų35.219%0.19418%0.175CC..Hα-helixtrans-62.7-40.7173-179.362.6000111.5E270 E271 A277 N278 I289 N290 F292E270-L274 WeakPolarHBondContact O-CB 3.49Å; E270-L274 PolarHBondContact O-N 2.94Å; E271-L274 PolarHBondContact O-N 2.89Å; L274-A277 PolarHBondContact O-N 3.42Å; L274-N278 WeakPolarHBondContact O-CB 3.43Å; L274-N278 PolarHBondContact O-N 2.71Å; L274-N278 PolarHBondContact O-ND2 2.66Å; L274-N278 VanDerWaalsContact O-ND2 3.15Å; L274-I289 HydrophobicContact CD1-CD1 4.04Å; L274-I289 HydrophobicContact CD1-CG1 3.81Å; L274-N290 VanDerWaalsContact CD2-O 3.31Å; L274-N290 WeakPolarHBondContact CD2-O 3.37Å; L274-F292 HydrophobicContact CB-CE2 4.03Å; L274-F292 HydrophobicContact CB-CZ 4.18Å; L274-F292 HydrophobicContact CD1-CE1 4.37Å; L274-F292 HydrophobicContact CD1-CE2 4.32Å; L274-F292 HydrophobicContact CD1-CZ 4.08Å
275R93.7Very high91.3Very high16 Ų1638.7 Ų38.76%0.0621%0.21CC..Hα-helixtrans-65.2-43177.2-171.6175.3-174.5143.65.1111.8L254 R256 E259 E271 L272 L273 N278 F279L254-R275 HydrophobicContact CB-CG 4.18Å; L254-R275 HydrophobicContact CD1-CG 4.46Å; L254-R275 PolarHBondContact O-NE 3.04Å; L254-R275 PolarHBondContact O-NH2 3.4Å; R256-R275 VanDerWaalsContact CD-NH2 3.29Å; E259-R275 IonicContact OE1-CZ 2.73Å; E259-R275 IonicContact OE1-NH1 3.86Å; E259-R275 PolarHBondContact OE1-NH1 3.47Å; E259-R275 IonicContact OE1-NH2 3.58Å; E259-R275 IonicContact OE2-CZ 3.26Å; E259-R275 IonicContact OE2-NH1 3.97Å; E259-R275 PolarHBondContact OE2-NH1 3.15Å; E259-R275 IonicContact OE2-NH2 3.24Å; E259-R275 PolarHBondContact OE2-NH2 2.91Å; E271-R275 VanDerWaalsContact O-CB 3.23Å; E271-R275 WeakPolarHBondContact O-CB 3.28Å; E271-R275 PolarHBondContact O-N 3.44Å; L272-R275 WeakPolarHBondContact O-CB 3.37Å; L272-R275 PolarHBondContact O-N 3.33Å; L273-R275 VanDerWaalsContact C-N 3.3Å; L273-R275 PolarHBondContact O-N 2.82Å; R275-N278 PolarHBondContact O-N 3.29Å; R275-F279 WeakPolarHBondContact O-CB 3.34Å; R275-F279 PolarHBondContact O-N 2.93Å
276W95.8Very high91.6Very high0 Ų038.7 Ų38.70%021%0.208CC..Hα-helixtrans-59.8-49.2173.2167.379.5000112.6L254 L272 L273 N278 F279 H280 L314 I318 V379 L382 F383 P387L254-W276 HydrophobicContact CD1-CB 3.93Å; L254-W276 HydrophobicContact CD2-CB 4.42Å; L272-W276 WeakPolarHBondContact O-CB 3.49Å; L272-W276 PolarHBondContact O-N 3.03Å; L273-W276 HydrophobicContact CD1-CD2 4.46Å; L273-W276 HydrophobicContact CD1-CE3 3.7Å; L273-W276 HydrophobicContact CD1-CZ3 4.1Å; L273-W276 PolarHBondContact O-N 2.98Å; W276-N278 VanDerWaalsContact C-N 3.3Å; W276-N278 PolarHBondContact O-N 3.45Å; W276-F279 WeakPolarHBondContact O-CB 3.48Å; W276-F279 PolarHBondContact O-N 3.29Å; W276-H280 AromaticContact CD1-CD2 3.76Å; W276-H280 AromaticContact CD1-NE2 3.77Å; W276-H280 AromaticContact CE2-CD2 3.6Å; W276-H280 AromaticContact CE2-NE2 3.89Å; W276-H280 AromaticContact NE1-CD2 3.31Å; W276-H280 PolarHBondContact NE1-CD2 2.65Å; W276-H280 VanDerWaalsContact NE1-CD2 3.31Å; W276-H280 AromaticContact NE1-NE2 3.2Å; W276-H280 PolarHBondContact NE1-NE2 3.32Å; W276-H280 VanDerWaalsContact NE1-NE2 3.2Å; W276-H280 PolarHBondContact O-CD2 3.29Å; W276-H280 PolarHBondContact O-N 3.3Å; W276-L314 HydrophobicContact CH2-CD1 4.09Å; W276-L314 HydrophobicContact CH2-CD2 4.27Å; W276-L314 HydrophobicContact CH2-CG 4.43Å; W276-L314 HydrophobicContact CZ2-CD1 4.47Å; W276-L314 HydrophobicContact CZ3-CD1 4.22Å; W276-L314 HydrophobicContact CZ3-CD2 4.04Å; W276-I318 HydrophobicContact CH2-CD1 4.27Å; W276-I318 HydrophobicContact CH2-CG2 4.22Å; W276-I318 HydrophobicContact CZ2-CG2 3.68Å; W276-V379 HydrophobicContact CE3-CG1 4.16Å; W276-V379 HydrophobicContact CZ3-CG1 3.65Å; W276-L382 HydrophobicContact CH2-CB 3.98Å; W276-F383 HydrophobicContact CB-CD2 4.38Å; W276-F383 AromaticContact CD1-CD2 3.65Å; W276-F383 AromaticContact CD1-CE2 3.85Å; W276-F383 HydrophobicContact CD2-CB 4.31Å; W276-F383 AromaticContact CD2-CD2 3.64Å; W276-F383 HydrophobicContact CD2-CD2 3.64Å; W276-F383 HydrophobicContact CD2-CG 4.45Å; W276-F383 AromaticContact CE2-CD2 3.63Å; W276-F383 HydrophobicContact CE3-CB 4.21Å; W276-F383 HydrophobicContact CE3-CD2 4.3Å; W276-F383 AromaticContact CG-CD2 3.64Å; W276-F383 HydrophobicContact CG-CD2 3.64Å; W276-F383 HydrophobicContact CG-CE2 4.08Å; W276-F383 HydrophobicContact CH2-CB 4.04Å; W276-F383 HydrophobicContact CZ2-CB 4.14Å; W276-F383 HydrophobicContact CZ2-CD2 4.25Å; W276-F383 HydrophobicContact CZ3-CB 4.07Å; W276-F383 AromaticContact NE1-CD2 3.6Å; W276-P387 PolarHBondContact NE1-O 2.84Å
277A94.9Very high91.7Very high1 Ų137.6 Ų37.61%0.00820%0.204CC..Hα-helixtrans-59.6-45.2178.600000110.5L273 L274 F279 H280 L281 I289 F292 L314L273-A277 WeakPolarHBondContact O-CB 3.39Å; L273-A277 PolarHBondContact O-N 2.71Å; L274-A277 PolarHBondContact O-N 3.42Å; A277-F279 PolarHBondContact O-N 3.32Å; A277-H280 PolarHBondContact O-N 3.14Å; A277-L281 VanDerWaalsContact O-CG 3.29Å; A277-L281 WeakPolarHBondContact O-CG 3.19Å; A277-L281 PolarHBondContact O-N 3.48Å; A277-I289 HydrophobicContact CB-CD1 4.44Å; A277-F292 HydrophobicContact CB-CE1 3.99Å; A277-F292 HydrophobicContact CB-CZ 4.04Å; A277-L314 HydrophobicContact CB-CD2 4.38Å
278N93.5Very high91.7Very high10 Ų1039.8 Ų39.85%0.05321%0.212CC..Hα-helixtrans-65.6-36.6178.5-80.4-38.9000113.7L274 R275 W276 H280 L281 E282 K288 I289L274-N278 WeakPolarHBondContact O-CB 3.43Å; L274-N278 PolarHBondContact O-N 2.71Å; L274-N278 PolarHBondContact O-ND2 2.66Å; L274-N278 VanDerWaalsContact O-ND2 3.15Å; R275-N278 PolarHBondContact O-N 3.29Å; W276-N278 VanDerWaalsContact C-N 3.3Å; W276-N278 PolarHBondContact O-N 3.45Å; N278-H280 VanDerWaalsContact C-N 3.3Å; N278-H280 PolarHBondContact O-N 2.83Å; N278-L281 PolarHBondContact O-N 3.24Å; N278-E282 WeakPolarHBondContact O-CB 3.24Å; N278-E282 WeakPolarHBondContact O-CG 3.13Å; N278-E282 PolarHBondContact O-N 3.41Å; N278-K288 HydrophobicContact CB-CD 4.49Å; N278-K288 HydrophobicContact CB-CG 4.17Å; N278-K288 WeakPolarHBondContact OD1-CA 3.37Å; N278-K288 WeakPolarHBondContact OD1-CB 3.46Å; N278-I289 PolarHBondContact ND2-O 3.17Å; N278-I289 WeakPolarHBondContact OD1-CG1 3.49Å; N278-I289 PolarHBondContact OD1-N 3.27Å; N278-I289 PolarHBondContact OD1-O 3.24Å
279F95.1Very high91.6Very high59 Ų5939.1 Ų39.126%0.25921%0.207SC..Hα-helixtrans-55.7-47.3173.6171-93.9000111.1L254 R275 W276 A277 N283 L389L254-F279 HydrophobicContact CD2-CB 3.6Å; L254-F279 HydrophobicContact CD2-CD1 4.17Å; L254-F279 HydrophobicContact CD2-CD2 4.15Å; L254-F279 HydrophobicContact CD2-CG 3.72Å; R275-F279 WeakPolarHBondContact O-CB 3.34Å; R275-F279 PolarHBondContact O-N 2.93Å; W276-F279 WeakPolarHBondContact O-CB 3.48Å; W276-F279 PolarHBondContact O-N 3.29Å; A277-F279 PolarHBondContact O-N 3.32Å; F279-N283 WeakPolarHBondContact CE1-ND2 3.15Å; F279-N283 VanDerWaalsContact CZ-ND2 3.28Å; F279-N283 WeakPolarHBondContact CZ-ND2 3.15Å; F279-N283 WeakPolarHBondContact O-CB 3.32Å; F279-N283 PolarHBondContact O-N 2.84Å; F279-N283 VanDerWaalsContact O-N 3.09Å; F279-N283 PolarHBondContact O-ND2 3.39Å; F279-L389 HydrophobicContact CD1-CD2 3.7Å; F279-L389 HydrophobicContact CE1-CD2 3.53Å; F279-L389 HydrophobicContact CZ-CD2 4.28Å
280H95.5Very high91.1Very high6 Ų642.5 Ų42.53%0.02822%0.224CC..Hα-helixtrans-70.2-39.4177.6-74.5-57.5000113W276 A277 N278 E282 N283 S284 L314 Q317 P387 A388W276-H280 AromaticContact CD1-CD2 3.76Å; W276-H280 AromaticContact CD1-NE2 3.77Å; W276-H280 AromaticContact CE2-CD2 3.6Å; W276-H280 AromaticContact CE2-NE2 3.89Å; W276-H280 AromaticContact NE1-CD2 3.31Å; W276-H280 PolarHBondContact NE1-CD2 2.65Å; W276-H280 VanDerWaalsContact NE1-CD2 3.31Å; W276-H280 AromaticContact NE1-NE2 3.2Å; W276-H280 PolarHBondContact NE1-NE2 3.32Å; W276-H280 VanDerWaalsContact NE1-NE2 3.2Å; W276-H280 PolarHBondContact O-CD2 3.29Å; W276-H280 PolarHBondContact O-N 3.3Å; A277-H280 PolarHBondContact O-N 3.14Å; N278-H280 VanDerWaalsContact C-N 3.3Å; N278-H280 PolarHBondContact O-N 2.83Å; H280-E282 PolarHBondContact O-N 3.39Å; H280-N283 PolarHBondContact O-N 3.47Å; H280-S284 PolarHBondContact O-N 3.41Å; H280-L314 HydrophobicContact CB-CD1 3.7Å; H280-Q317 HydrophobicContact CB-CB 4Å; H280-Q317 HydrophobicContact CB-CG 4.41Å; H280-Q317 WeakPolarHBondContact O-CG 3.47Å; H280-P387 PolarHBondContact NE2-O 3.25Å; H280-P387 VanDerWaalsContact NE2-O 3.1Å; H280-A388 PolarHBondContact CE1-O 3.49Å; H280-A388 VanDerWaalsContact CE1-O 3.29Å
281L93.5Very high90.5Very high1 Ų141.8 Ų41.81%0.00522%0.222CC..Hα-helixtrans-59.7-47.6175.8-69.3176.3000111.2A277 N278 N283 S284 G285 W286 I289 A310 H313 L314A277-L281 VanDerWaalsContact O-CG 3.29Å; A277-L281 WeakPolarHBondContact O-CG 3.19Å; A277-L281 PolarHBondContact O-N 3.48Å; N278-L281 PolarHBondContact O-N 3.24Å; L281-N283 PolarHBondContact O-N 3.15Å; L281-S284 WeakPolarHBondContact O-CB 3.47Å; L281-S284 PolarHBondContact O-N 3.32Å; L281-S284 VanDerWaalsContact O-N 3.08Å; L281-S284 PolarHBondContact O-OG 3.18Å; L281-G285 PolarHBondContact O-N 3.12Å; L281-W286 CarbonylContact C-O 3.59Å; L281-W286 HydrophobicContact CB-CB 4.36Å; L281-W286 HydrophobicContact CD2-CB 4.34Å; L281-W286 HydrophobicContact CD2-CG 4.38Å; L281-W286 WeakPolarHBondContact O-CA 3.25Å; L281-W286 WeakPolarHBondContact O-CB 3.41Å; L281-W286 PolarHBondContact O-N 3.05Å; L281-I289 HydrophobicContact CD1-CD1 4.39Å; L281-I289 HydrophobicContact CD1-CG1 3.99Å; L281-I289 HydrophobicContact CD1-CG2 4.03Å; L281-A310 HydrophobicContact CD1-CB 4.26Å; L281-A310 HydrophobicContact CD2-CB 4.19Å; L281-A310 WeakPolarHBondContact CD2-O 3.19Å; L281-H313 HydrophobicContact CD2-CB 3.84Å; L281-L314 HydrophobicContact CD2-CB 4.4Å
282E93.4Very high89.7Confident96 Ų9637.8 Ų37.845%0.44920%0.203SC..Hα-helixtrans-59.1-45.4176.4-75.1-174.7122.200112.1N278 H280 S284 G285 K288N278-E282 WeakPolarHBondContact O-CB 3.24Å; N278-E282 WeakPolarHBondContact O-CG 3.13Å; N278-E282 PolarHBondContact O-N 3.41Å; H280-E282 PolarHBondContact O-N 3.39Å; E282-S284 PolarHBondContact O-N 3.2Å; E282-G285 WeakPolarHBondContact O-CA 3.36Å; E282-G285 PolarHBondContact O-N 3.47Å; E282-K288 HydrophobicContact CG-CG 4.13Å; E282-K288 WeakPolarHBondContact OE1-CE 3.29Å; E282-K288 IonicContact OE1-NZ 2.82Å; E282-K288 PolarHBondContact OE1-NZ 2.69Å; E282-K288 WeakPolarHBondContact OE2-CE 3.35Å; E282-K288 IonicContact OE2-NZ 2.81Å; E282-K288 PolarHBondContact OE2-NZ 3.18Å; E282-K288 VanDerWaalsContact OE2-NZ 3.13Å
283N93.4Very high88.5Confident93 Ų9338.8 Ų38.850%0.49721%0.211SC..Hα-helixtrans-62.7-24.7177.5-71-17.7000113F279 H280 L281 G285F279-N283 WeakPolarHBondContact CE1-ND2 3.15Å; F279-N283 VanDerWaalsContact CZ-ND2 3.28Å; F279-N283 WeakPolarHBondContact CZ-ND2 3.15Å; F279-N283 WeakPolarHBondContact O-CB 3.32Å; F279-N283 PolarHBondContact O-N 2.84Å; F279-N283 VanDerWaalsContact O-N 3.09Å; F279-N283 PolarHBondContact O-ND2 3.39Å; H280-N283 PolarHBondContact O-N 3.47Å; L281-N283 PolarHBondContact O-N 3.15Å; N283-G285 VanDerWaalsContact C-N 3.29Å
284S92.8Very high86.4Confident29 Ų2940.9 Ų40.920%0.20323%0.228CC..THydrogen-bonded Turntrans-83.9-0.9172.780.80000114.3H280 L281 E282 W286 H313H280-S284 PolarHBondContact O-N 3.41Å; L281-S284 WeakPolarHBondContact O-CB 3.47Å; L281-S284 PolarHBondContact O-N 3.32Å; L281-S284 VanDerWaalsContact O-N 3.08Å; L281-S284 PolarHBondContact O-OG 3.18Å; E282-S284 PolarHBondContact O-N 3.2Å; S284-W286 PolarHBondContact O-N 2.97Å; S284-W286 WeakPolarHBondContact OG-CB 3.17Å; S284-W286 PolarHBondContact OG-N 3.36Å; S284-H313 PolarHBondContact OG-ND1 3.07Å
285G91.1Very high84Confident73 Ų7342 Ų4275%0.75323%0.234SC*.THydrogen-bonded Turntrans73.213.6-170.800000113.7L281 E282 N283L281-G285 PolarHBondContact O-N 3.12Å; E282-G285 WeakPolarHBondContact O-CA 3.36Å; E282-G285 PolarHBondContact O-N 3.47Å; N283-G285 VanDerWaalsContact C-N 3.29Å
286W90Very high81.3Confident51 Ų5144.9 Ų44.919%0.19325%0.25CS..PPolyproline II helixtrans-92.8151.3176.4-163.6-100.6000111.1L281 S284 K309 H313 F337L281-W286 CarbonylContact C-O 3.59Å; L281-W286 HydrophobicContact CB-CB 4.36Å; L281-W286 HydrophobicContact CD2-CB 4.34Å; L281-W286 HydrophobicContact CD2-CG 4.38Å; L281-W286 WeakPolarHBondContact O-CA 3.25Å; L281-W286 WeakPolarHBondContact O-CB 3.41Å; L281-W286 PolarHBondContact O-N 3.05Å; S284-W286 PolarHBondContact O-N 2.97Å; S284-W286 WeakPolarHBondContact OG-CB 3.17Å; S284-W286 PolarHBondContact OG-N 3.36Å; W286-K309 HydrophobicContact CH2-CB 4.22Å; W286-K309 HydrophobicContact CH2-CD 4.2Å; W286-K309 HydrophobicContact CZ2-CB 3.77Å; W286-K309 HydrophobicContact CZ2-CD 4.32Å; W286-H313 HydrophobicContact CB-CB 4.28Å; W286-H313 AromaticContact CD2-CD2 3.62Å; W286-H313 AromaticContact CD2-NE2 3.78Å; W286-H313 AromaticContact CE3-CD2 3.59Å; W286-H313 AromaticContact CE3-CE1 3.75Å; W286-H313 AromaticContact CE3-NE2 3.22Å; W286-H313 HydrophobicContact CG-CB 4.44Å; W286-H313 AromaticContact CG-CD2 3.95Å; W286-H313 AromaticContact CZ3-NE2 3.63Å; W286-F337 HydrophobicContact CH2-CE2 4.22Å; W286-F337 AromaticContact CH2-CZ 3.65Å; W286-F337 HydrophobicContact CH2-CZ 3.65Å; W286-F337 HydrophobicContact CZ3-CE2 4.33Å; W286-F337 AromaticContact CZ3-CZ 3.69Å; W286-F337 HydrophobicContact CZ3-CZ 3.69Å
287Q87.4Confident78.6Confident85 Ų8553.6 Ų53.640%0.39729%0.288SS..PPolyproline II helixtrans-70.4148.1179.251.3-163.4-17.600113.2N303Q287-N303 HydrophobicContact CG-CB 4.13Å; Q287-N303 VanDerWaalsContact CG-CG 3.44Å; Q287-N303 WeakPolarHBondContact CG-ND2 3.12Å; Q287-N303 PolarHBondContact NE2-ND2 3.32Å; Q287-N303 PolarHBondContact NE2-OD1 3.26Å; Q287-N303 VanDerWaalsContact OE1-CG 3.27Å; Q287-N303 PolarHBondContact OE1-ND2 3Å; Q287-N303 PolarHBondContact OE1-OD1 3.19Å
288K86.3Confident75.7Confident82 Ų8260.5 Ų60.536%0.35732%0.324SS..PPolyproline II helixtrans-63.8151.7178.7-70.3-176.5175.1157.90112.9N278 E282N278-K288 HydrophobicContact CB-CD 4.49Å; N278-K288 HydrophobicContact CB-CG 4.17Å; N278-K288 WeakPolarHBondContact OD1-CA 3.37Å; N278-K288 WeakPolarHBondContact OD1-CB 3.46Å; E282-K288 HydrophobicContact CG-CG 4.13Å; E282-K288 WeakPolarHBondContact OE1-CE 3.29Å; E282-K288 IonicContact OE1-NZ 2.82Å; E282-K288 PolarHBondContact OE1-NZ 2.69Å; E282-K288 WeakPolarHBondContact OE2-CE 3.35Å; E282-K288 IonicContact OE2-NZ 2.81Å; E282-K288 PolarHBondContact OE2-NZ 3.18Å; E282-K288 VanDerWaalsContact OE2-NZ 3.13Å
289I84.3Confident72.7Confident3 Ų367.7 Ų67.72%0.01536%0.361CS..  trans-104.9151.7164.660169.1000109.6L274 A277 N278 L281 F292 V305 A310L274-I289 HydrophobicContact CD1-CD1 4.04Å; L274-I289 HydrophobicContact CD1-CG1 3.81Å; A277-I289 HydrophobicContact CB-CD1 4.44Å; N278-I289 PolarHBondContact ND2-O 3.17Å; N278-I289 WeakPolarHBondContact OD1-CG1 3.49Å; N278-I289 PolarHBondContact OD1-N 3.27Å; N278-I289 PolarHBondContact OD1-O 3.24Å; L281-I289 HydrophobicContact CD1-CD1 4.39Å; L281-I289 HydrophobicContact CD1-CG1 3.99Å; L281-I289 HydrophobicContact CD1-CG2 4.03Å; I289-F292 HydrophobicContact CD1-CD1 3.85Å; I289-F292 HydrophobicContact CD1-CE1 3.58Å; I289-V305 HydrophobicContact CB-CG1 4.5Å; I289-V305 HydrophobicContact CD1-CG1 3.6Å; I289-V305 HydrophobicContact CG2-CG1 4.08Å; I289-A310 HydrophobicContact CG2-CB 4.05Å
290N79.6Confident69.9Low94 Ų9471.7 Ų71.750%0.50339%0.385SS..SBendtrans-104.5-11.5-178.7-63.4-40.5000113.5L274 I296L274-N290 VanDerWaalsContact CD2-O 3.31Å; L274-N290 WeakPolarHBondContact CD2-O 3.37Å; N290-I296 HydrophobicContact CB-CD1 3.24Å
291N75.4Confident67.3Low38 Ų3880.4 Ų80.420%0.20342%0.423CS..  trans-171173.1172.754.582.6000110.2S293 D295N291-S293 VanDerWaalsContact C-N 3.32Å; N291-S293 VanDerWaalsContact OD1-C 3.24Å; N291-S293 VanDerWaalsContact OD1-CA 3.27Å; N291-S293 WeakPolarHBondContact OD1-CA 3.32Å; N291-S293 WeakPolarHBondContact OD1-CB 3.41Å; N291-S293 PolarHBondContact OD1-N 2.67Å; N291-S293 PolarHBondContact OD1-O 3.11Å; N291-S293 PolarHBondContact OD1-OG 3.26Å; N291-D295 PolarHBondContact ND2-O 2.96Å
292F73.4Confident64.7Low14 Ų1482.1 Ų82.16%0.06144%0.435CS..SBendtrans-94.425.5175.5-53.8-64.5000112.9L273 L274 A277 I289 N375 L376 V379L273-F292 HydrophobicContact CB-CE2 4.38Å; L273-F292 HydrophobicContact CD2-CE2 4.24Å; L273-F292 HydrophobicContact CG-CE2 4.13Å; L273-F292 HydrophobicContact CG-CZ 4.17Å; L274-F292 HydrophobicContact CB-CE2 4.03Å; L274-F292 HydrophobicContact CB-CZ 4.18Å; L274-F292 HydrophobicContact CD1-CE1 4.37Å; L274-F292 HydrophobicContact CD1-CE2 4.32Å; L274-F292 HydrophobicContact CD1-CZ 4.08Å; A277-F292 HydrophobicContact CB-CE1 3.99Å; A277-F292 HydrophobicContact CB-CZ 4.04Å; I289-F292 HydrophobicContact CD1-CD1 3.85Å; I289-F292 HydrophobicContact CD1-CE1 3.58Å; F292-N375 HydrophobicContact CB-CB 4.25Å; F292-N375 WeakPolarHBondContact O-CB 3.49Å; F292-L376 HydrophobicContact CD2-CD1 3.65Å; F292-L376 HydrophobicContact CE2-CD1 4.05Å; F292-V379 HydrophobicContact CD1-CB 4.45Å; F292-V379 HydrophobicContact CD1-CG1 4.44Å; F292-V379 HydrophobicContact CD1-CG2 3.84Å; F292-V379 HydrophobicContact CE1-CB 4.18Å; F292-V379 HydrophobicContact CE1-CG1 3.7Å; F292-V379 HydrophobicContact CE1-CG2 3.83Å; F292-V379 HydrophobicContact CE2-CG1 4.41Å; F292-V379 HydrophobicContact CG-CG2 4.49Å; F292-V379 HydrophobicContact CZ-CB 4.35Å; F292-V379 HydrophobicContact CZ-CG1 3.67Å; F292-V379 HydrophobicContact CZ-CG2 4.48Å
293S64.4Low62.7Low27 Ų2779.7 Ų79.719%0.18943%0.425CS..SBendtrans-132-175.2-172.7840000113.1N291 D295N291-S293 VanDerWaalsContact C-N 3.32Å; N291-S293 VanDerWaalsContact OD1-C 3.24Å; N291-S293 VanDerWaalsContact OD1-CA 3.27Å; N291-S293 WeakPolarHBondContact OD1-CA 3.32Å; N291-S293 WeakPolarHBondContact OD1-CB 3.41Å; N291-S293 PolarHBondContact OD1-N 2.67Å; N291-S293 PolarHBondContact OD1-O 3.11Å; N291-S293 PolarHBondContact OD1-OG 3.26Å; S293-D295 PolarHBondContact OG-N 3.48Å
294A49.9Very low60.9Low44 Ų4477 Ų7736%0.36441%0.414SS..SBendtrans-73.9-16.6175.400000115.2I296 K306A294-I296 PolarHBondContact O-N 2.73Å; A294-K306 VanDerWaalsContact CB-CE 3.46Å
295D39.7Very low59.2Low60 Ų6075.7 Ų75.732%0.32140%0.404SS..  trans-99.993.5-165.9-89.9-34.2000113.7K95 R99 N291 S293K95-D295 IonicContact NZ-OD1 2.93Å; K95-D295 PolarHBondContact NZ-OD1 2.8Å; K95-D295 IonicContact NZ-OD2 2.77Å; K95-D295 PolarHBondContact NZ-OD2 2.83Å; R99-D295 IonicContact NH2-OD2 2.65Å; N291-D295 PolarHBondContact ND2-O 2.96Å; S293-D295 PolarHBondContact OG-N 3.48Å
296I37.1Very low58.1Low77 Ų7775.1 Ų75.140%0.39538%0.381SS..  trans-159.4107.5132.6-92.9153.3000106.4N290 A294 S302N290-I296 HydrophobicContact CB-CD1 3.24Å; A294-I296 PolarHBondContact O-N 2.73Å; I296-S302 WeakPolarHBondContact O-CB 3.47Å; I296-S302 PolarHBondContact O-OG 3.12Å
297K38.8Very low57.3Low183 Ų18374.6 Ų74.680%0.79638%0.382SS*.  trans-138.979.8155.3-88.8-166.7179-178.80108.3S302K297-S302 VanDerWaalsContact CG-OG 3.28Å; K297-S302 WeakPolarHBondContact CG-OG 3.37Å
298L34.3Very low57.2Low145 Ų14570.5 Ų70.576%0.75936%0.363SS*.SBendtrans-133.5118.9144-76.7176.7000105.9
299I31.6Very low57.4Low161 Ų16169.6 Ų69.683%0.82636%0.359SS*.SBendtrans86.9107.2178.5-43.5157.7000113.1
300D36.7Very low57.7Low144 Ų14469.7 Ų69.777%0.7736%0.36SS*.SBendtrans21.9127.2161.7-90.9-31000120.6
301F39.3Very low58.3Low188 Ų18865.3 Ų65.383%0.82534%0.337SS*.  trans5952.4169.1-68.2-88.6000117.1N303F301-N303 PolarHBondContact O-N 3.3Å
302S39.6Very low59.2Low38 Ų3863.6 Ų63.627%0.26633%0.327SS..  trans-79.3118.617367.20000113.1I296 K297I296-S302 WeakPolarHBondContact O-CB 3.47Å; I296-S302 PolarHBondContact O-OG 3.12Å; K297-S302 VanDerWaalsContact CG-OG 3.28Å; K297-S302 WeakPolarHBondContact CG-OG 3.37Å
303N51.5Low60.2Low44 Ų4464.3 Ų64.324%0.23533%0.331CS..  trans-83.2113.3173.9-55.4-61.7000109.8Q287 F301Q287-N303 HydrophobicContact CG-CB 4.13Å; Q287-N303 VanDerWaalsContact CG-CG 3.44Å; Q287-N303 WeakPolarHBondContact CG-ND2 3.12Å; Q287-N303 PolarHBondContact NE2-ND2 3.32Å; Q287-N303 PolarHBondContact NE2-OD1 3.26Å; Q287-N303 VanDerWaalsContact OE1-CG 3.27Å; Q287-N303 PolarHBondContact OE1-ND2 3Å; Q287-N303 PolarHBondContact OE1-OD1 3.19Å; F301-N303 PolarHBondContact O-N 3.3Å
304S55.6Low61.6Low37 Ų3763.2 Ų63.226%0.25932%0.323SS..  trans-98.7139.5178.8-174.70000109.5K306 D307S304-K306 PolarHBondContact O-N 3.3Å; S304-K306 VanDerWaalsContact O-N 3.07Å; S304-K306 WeakPolarHBondContact OG-CB 3.49Å; S304-K306 VanDerWaalsContact OG-CG 3.27Å; S304-K306 WeakPolarHBondContact OG-CG 3.28Å; S304-K306 PolarHBondContact OG-N 3.4Å; S304-D307 PolarHBondContact O-N 2.94Å
305V56.7Low63.8Low1 Ų161.1 Ų61.11%0.00631%0.306CS..G310 helixtrans-60-14.5170.8-67.20000113.2I289 D307 S308 A310 Y311I289-V305 HydrophobicContact CB-CG1 4.5Å; I289-V305 HydrophobicContact CD1-CG1 3.6Å; I289-V305 HydrophobicContact CG2-CG1 4.08Å; V305-D307 PolarHBondContact O-N 3Å; V305-S308 PolarHBondContact O-N 3.3Å; V305-A310 HydrophobicContact CG1-CB 4.38Å; V305-Y311 HydrophobicContact CB-CD2 4.47Å; V305-Y311 HydrophobicContact CB-CE2 3.79Å; V305-Y311 HydrophobicContact CG1-CE2 4.47Å; V305-Y311 HydrophobicContact CG2-CE2 4.44Å
306K67.6Low66.5Low62 Ų6260.6 Ų60.627%0.2730%0.303SS..G310 helixtrans-55.2-36178.4-74.9-176.8168.3-147.10114.1A294 S304 S308 V367 V368 S369A294-K306 VanDerWaalsContact CB-CE 3.46Å; S304-K306 PolarHBondContact O-N 3.3Å; S304-K306 VanDerWaalsContact O-N 3.07Å; S304-K306 WeakPolarHBondContact OG-CB 3.49Å; S304-K306 VanDerWaalsContact OG-CG 3.27Å; S304-K306 WeakPolarHBondContact OG-CG 3.28Å; S304-K306 PolarHBondContact OG-N 3.4Å; K306-S308 PolarHBondContact O-N 3.16Å; K306-V367 WeakPolarHBondContact CA-O 3.41Å; K306-V368 WeakPolarHBondContact CD-O 3.45Å; K306-V368 WeakPolarHBondContact CG-O 3.43Å; K306-S369 WeakPolarHBondContact CE-O 3.5Å; K306-S369 PolarHBondContact NZ-O 2.89Å
307D75.1Confident69.3Low39 Ų3959.9 Ų59.921%0.20930%0.298CS..G310 helixtrans-77.71.1-178.879.7-4000112S304 V305 K309 R345S304-D307 PolarHBondContact O-N 2.94Å; V305-D307 PolarHBondContact O-N 3Å; D307-K309 HydrophobicContact CB-CG 4.49Å; D307-K309 PolarHBondContact O-N 2.93Å; D307-K309 VanDerWaalsContact OD1-CB 3.28Å; D307-K309 WeakPolarHBondContact OD1-CB 3.39Å; D307-K309 PolarHBondContact OD1-N 3.23Å; D307-K309 WeakPolarHBondContact OD2-CD 3.33Å; D307-R345 VanDerWaalsContact O-CZ 3.22Å; D307-R345 PolarHBondContact O-NE 2.89Å; D307-R345 PolarHBondContact O-NH2 3.21Å
308S84.9Confident71.9Confident0 Ų051.4 Ų51.40%026%0.261CS..SBendtrans61.1-2-177.6-53.90000115.9V305 K306 Y311 F312 A346 V367V305-S308 PolarHBondContact O-N 3.3Å; K306-S308 PolarHBondContact O-N 3.16Å; S308-Y311 PolarHBondContact O-N 3.1Å; S308-F312 VanDerWaalsContact O-CD2 3.32Å; S308-F312 WeakPolarHBondContact O-CD2 3.11Å; S308-F312 PolarHBondContact O-N 2.89Å; S308-F312 VanDerWaalsContact O-N 3.16Å; S308-A346 VanDerWaalsContact OG-CA 3.3Å; S308-A346 WeakPolarHBondContact OG-CA 3.47Å; S308-A346 WeakPolarHBondContact OG-CB 3.4Å; S308-V367 VanDerWaalsContact OG-CG1 3.28Å; S308-V367 WeakPolarHBondContact OG-CG1 3.41Å
309K89.4Confident74.9Confident63 Ų6344.6 Ų44.627%0.27423%0.226SC..Hα-helixtrans-70.6-44.2-174.9-67.6-174.3-174.1169.40111.7W286 D307 Y311 F312 H313 F337W286-K309 HydrophobicContact CH2-CB 4.22Å; W286-K309 HydrophobicContact CH2-CD 4.2Å; W286-K309 HydrophobicContact CZ2-CB 3.77Å; W286-K309 HydrophobicContact CZ2-CD 4.32Å; D307-K309 HydrophobicContact CB-CG 4.49Å; D307-K309 PolarHBondContact O-N 2.93Å; D307-K309 VanDerWaalsContact OD1-CB 3.28Å; D307-K309 WeakPolarHBondContact OD1-CB 3.39Å; D307-K309 PolarHBondContact OD1-N 3.23Å; D307-K309 WeakPolarHBondContact OD2-CD 3.33Å; K309-Y311 PolarHBondContact O-N 2.87Å; K309-F312 PolarHBondContact O-N 3.44Å; K309-H313 PolarHBondContact O-CD2 2.99Å; K309-H313 PolarHBondContact O-N 2.79Å; K309-F337 HydrophobicContact CB-CD2 4.25Å; K309-F337 HydrophobicContact CB-CE2 3.57Å; K309-F337 HydrophobicContact CB-CZ 4.15Å; K309-F337 HydrophobicContact CD-CE2 4.17Å; K309-F337 HydrophobicContact CD-CZ 3.98Å; K309-F337 HydrophobicContact CG-CD2 4.22Å; K309-F337 HydrophobicContact CG-CE2 3.78Å; K309-F337 HydrophobicContact CG-CZ 4.12Å
310A90.4Very high77.8Confident4 Ų437.4 Ų37.43%0.03319%0.189CC..Hα-helixtrans-57.2-39173.300000111.2L281 I289 V305 H313 L314L281-A310 HydrophobicContact CD1-CB 4.26Å; L281-A310 HydrophobicContact CD2-CB 4.19Å; L281-A310 WeakPolarHBondContact CD2-O 3.19Å; I289-A310 HydrophobicContact CG2-CB 4.05Å; V305-A310 HydrophobicContact CG1-CB 4.38Å; A310-H313 PolarHBondContact O-N 3.43Å; A310-L314 WeakPolarHBondContact O-CB 3.32Å; A310-L314 PolarHBondContact O-N 3.18Å
311Y92.9Very high80.3Confident3 Ų334 Ų341%0.01217%0.168CC..Hα-helixtrans-65.4-38.9177.7-72.4-48.1000113.4V305 S308 K309 H313 L314 L315 M349 V367 N375 F378 V379V305-Y311 HydrophobicContact CB-CD2 4.47Å; V305-Y311 HydrophobicContact CB-CE2 3.79Å; V305-Y311 HydrophobicContact CG1-CE2 4.47Å; V305-Y311 HydrophobicContact CG2-CE2 4.44Å; S308-Y311 PolarHBondContact O-N 3.1Å; K309-Y311 PolarHBondContact O-N 2.87Å; Y311-H313 PolarHBondContact O-N 3.23Å; Y311-L314 HydrophobicContact CD1-CD2 4.4Å; Y311-L314 PolarHBondContact O-N 3.27Å; Y311-L315 VanDerWaalsContact O-CB 3.29Å; Y311-L315 WeakPolarHBondContact O-CB 3.39Å; Y311-L315 WeakPolarHBondContact O-CG 3.34Å; Y311-L315 PolarHBondContact O-N 3.44Å; Y311-M349 HydrophobicContact CD2-CE 3.77Å; Y311-M349 HydrophobicContact CD2-SD 4.42Å; Y311-M349 HydrophobicContact CG-CE 4.17Å; Y311-M349 HydrophobicContact CG-SD 4.22Å; Y311-V367 HydrophobicContact CD2-CG1 4.17Å; Y311-V367 HydrophobicContact CE2-CG1 4.09Å; Y311-N375 PolarHBondContact OH-OD1 2.84Å; Y311-N375 VanDerWaalsContact OH-OD1 3.06Å; Y311-F378 HydrophobicContact CD1-CD1 4.38Å; Y311-F378 AromaticContact CD1-CE1 3.9Å; Y311-F378 HydrophobicContact CD1-CE1 3.9Å; Y311-F378 AromaticContact CE1-CD1 3.98Å; Y311-F378 HydrophobicContact CE1-CD1 3.98Å; Y311-F378 AromaticContact CE1-CE1 3.98Å; Y311-F378 HydrophobicContact CE1-CE1 3.98Å; Y311-F378 HydrophobicContact CG-CE1 4.22Å; Y311-V379 HydrophobicContact CE1-CG2 3.53Å
312F94.1Very high82.5Confident1 Ų126.9 Ų26.90%0.00415%0.147CC..Hα-helixtrans-58.7-46.1173.7-87.6-75000112.4S308 K309 N316 M334 F337 R345 M349 Q352S308-F312 VanDerWaalsContact O-CD2 3.32Å; S308-F312 WeakPolarHBondContact O-CD2 3.11Å; S308-F312 PolarHBondContact O-N 2.89Å; S308-F312 VanDerWaalsContact O-N 3.16Å; K309-F312 PolarHBondContact O-N 3.44Å; F312-N316 WeakPolarHBondContact O-CB 3.45Å; F312-N316 PolarHBondContact O-N 3.28Å; F312-M334 HydrophobicContact CB-CE 3.92Å; F312-M334 HydrophobicContact CB-SD 3.89Å; F312-M334 HydrophobicContact CD1-SD 4.01Å; F312-M334 HydrophobicContact CG-SD 4.39Å; F312-F337 HydrophobicContact CB-CD2 3.85Å; F312-F337 HydrophobicContact CD2-CB 4.37Å; F312-F337 HydrophobicContact CD2-CD2 4.19Å; F312-F337 HydrophobicContact CG-CB 4.38Å; F312-F337 HydrophobicContact CG-CD2 4.19Å; F312-R345 HydrophobicContact CE2-CG 3.87Å; F312-M349 HydrophobicContact CD2-CB 4.16Å; F312-M349 HydrophobicContact CD2-CG 4.37Å; F312-M349 HydrophobicContact CE1-CB 4.44Å; F312-M349 HydrophobicContact CE2-CB 3.66Å; F312-M349 HydrophobicContact CE2-CG 4.36Å; F312-M349 HydrophobicContact CZ-CB 3.82Å; F312-Q352 HydrophobicContact CE1-CG 4.12Å
313H94.1Very high84.4Confident30 Ų3033.1 Ų33.114%0.13917%0.172CC..Hα-helixtrans-63.3-46.3176.6-79.8-86.8000111.8L281 S284 W286 K309 A310 Y311 N316 Q317 F337L281-H313 HydrophobicContact CD2-CB 3.84Å; S284-H313 PolarHBondContact OG-ND1 3.07Å; W286-H313 HydrophobicContact CB-CB 4.28Å; W286-H313 AromaticContact CD2-CD2 3.62Å; W286-H313 AromaticContact CD2-NE2 3.78Å; W286-H313 AromaticContact CE3-CD2 3.59Å; W286-H313 AromaticContact CE3-CE1 3.75Å; W286-H313 AromaticContact CE3-NE2 3.22Å; W286-H313 HydrophobicContact CG-CB 4.44Å; W286-H313 AromaticContact CG-CD2 3.95Å; W286-H313 AromaticContact CZ3-NE2 3.63Å; K309-H313 PolarHBondContact O-CD2 2.99Å; K309-H313 PolarHBondContact O-N 2.79Å; A310-H313 PolarHBondContact O-N 3.43Å; Y311-H313 PolarHBondContact O-N 3.23Å; H313-N316 PolarHBondContact O-N 2.93Å; H313-Q317 WeakPolarHBondContact O-CG 3.23Å; H313-Q317 PolarHBondContact O-N 2.94Å; H313-F337 AromaticContact CD2-CE2 3.63Å; H313-F337 AromaticContact NE2-CE2 3.48Å; H313-F337 WeakPolarHBondContact NE2-CE2 3.18Å; H313-F337 AromaticContact NE2-CZ 3.75Å
314L94.9Very high85.7Confident4 Ų437.5 Ų37.52%0.02119%0.189CC..Hα-helixtrans-60.2-52.1178.4-177.861.9000111.5W276 A277 H280 L281 A310 Y311 N316 Q317 I318 L382W276-L314 HydrophobicContact CH2-CD1 4.09Å; W276-L314 HydrophobicContact CH2-CD2 4.27Å; W276-L314 HydrophobicContact CH2-CG 4.43Å; W276-L314 HydrophobicContact CZ2-CD1 4.47Å; W276-L314 HydrophobicContact CZ3-CD1 4.22Å; W276-L314 HydrophobicContact CZ3-CD2 4.04Å; A277-L314 HydrophobicContact CB-CD2 4.38Å; H280-L314 HydrophobicContact CB-CD1 3.7Å; L281-L314 HydrophobicContact CD2-CB 4.4Å; A310-L314 WeakPolarHBondContact O-CB 3.32Å; A310-L314 PolarHBondContact O-N 3.18Å; Y311-L314 HydrophobicContact CD1-CD2 4.4Å; Y311-L314 PolarHBondContact O-N 3.27Å; L314-N316 VanDerWaalsContact C-N 3.28Å; L314-N316 PolarHBondContact O-N 3.35Å; L314-Q317 PolarHBondContact O-N 3.21Å; L314-I318 HydrophobicContact CD1-CG2 3.97Å; L314-I318 WeakPolarHBondContact O-CG1 3.29Å; L314-I318 WeakPolarHBondContact O-CG2 3.21Å; L314-I318 PolarHBondContact O-N 3.37Å; L314-L382 HydrophobicContact CD2-CD1 4.21Å
315L96.3Very high86.6Confident0 Ų045.6 Ų45.60%022%0.223CC..Hα-helixtrans-55.2-45.3177.2-71.6170.6000111Y311 Q317 A319 I332 M349 Q352 A353 L356 L382Y311-L315 VanDerWaalsContact O-CB 3.29Å; Y311-L315 WeakPolarHBondContact O-CB 3.39Å; Y311-L315 WeakPolarHBondContact O-CG 3.34Å; Y311-L315 PolarHBondContact O-N 3.44Å; L315-Q317 VanDerWaalsContact C-N 3.33Å; L315-Q317 PolarHBondContact O-N 3.09Å; L315-A319 WeakPolarHBondContact O-CB 3.34Å; L315-A319 PolarHBondContact O-N 3.28Å; L315-I332 HydrophobicContact CB-CD1 4.39Å; L315-I332 HydrophobicContact CB-CG1 4.38Å; L315-I332 HydrophobicContact CB-CG2 4.23Å; L315-M349 HydrophobicContact CD1-CG 3.81Å; L315-M349 HydrophobicContact CD1-SD 3.83Å; L315-Q352 HydrophobicContact CD1-CB 4.11Å; L315-A353 HydrophobicContact CD1-CB 4.29Å; L315-A353 HydrophobicContact CD2-CB 4.01Å; L315-L356 HydrophobicContact CD2-CD1 3.76Å; L315-L382 HydrophobicContact CD2-CD1 4.18Å; L315-L382 HydrophobicContact CD2-CD2 3.65Å
316N95.4Very high87.4Confident49 Ų4949.4 Ų49.426%0.26226%0.262SS..Hα-helixtrans-65.2-34.6178.6-175.849.4000112.7F312 H313 L314 K321 I332 M334F312-N316 WeakPolarHBondContact O-CB 3.45Å; F312-N316 PolarHBondContact O-N 3.28Å; H313-N316 PolarHBondContact O-N 2.93Å; L314-N316 VanDerWaalsContact C-N 3.28Å; L314-N316 PolarHBondContact O-N 3.35Å; N316-K321 WeakPolarHBondContact O-CE 3.3Å; N316-K321 PolarHBondContact O-NZ 3.29Å; N316-I332 HydrophobicContact CB-CB 4.17Å; N316-I332 HydrophobicContact CB-CG2 4.21Å; N316-M334 HydrophobicContact CB-SD 4.19Å
317Q95Very high88.1Confident61 Ų6149.5 Ų49.529%0.28526%0.264SS..Hα-helixtrans-71.4-44.6177.6-74.3-68.3-41.500112.4H280 H313 L314 L315H280-Q317 HydrophobicContact CB-CB 4Å; H280-Q317 HydrophobicContact CB-CG 4.41Å; H280-Q317 WeakPolarHBondContact O-CG 3.47Å; H313-Q317 WeakPolarHBondContact O-CG 3.23Å; H313-Q317 PolarHBondContact O-N 2.94Å; L314-Q317 PolarHBondContact O-N 3.21Å; L315-Q317 VanDerWaalsContact C-N 3.33Å; L315-Q317 PolarHBondContact O-N 3.09Å
318I95.5Very high88.5Confident5 Ų552 Ų523%0.02628%0.282CS..Hα-helixtrans-81.5-18.6-17471.6-178000113.1W276 L314 L356 L382 A388W276-I318 HydrophobicContact CH2-CD1 4.27Å; W276-I318 HydrophobicContact CH2-CG2 4.22Å; W276-I318 HydrophobicContact CZ2-CG2 3.68Å; L314-I318 HydrophobicContact CD1-CG2 3.97Å; L314-I318 WeakPolarHBondContact O-CG1 3.29Å; L314-I318 WeakPolarHBondContact O-CG2 3.21Å; L314-I318 PolarHBondContact O-N 3.37Å; I318-L356 HydrophobicContact CD1-CD1 4.47Å; I318-L356 HydrophobicContact CG1-CD1 4.34Å; I318-L382 HydrophobicContact CD1-CB 3.9Å; I318-L382 HydrophobicContact CD1-CD1 4.39Å; I318-L382 HydrophobicContact CD1-CD2 4.06Å; I318-L382 HydrophobicContact CD1-CG 4.35Å; I318-A388 HydrophobicContact CB-CB 4.11Å; I318-A388 HydrophobicContact CG2-CB 4.21Å
319A95.4Very high88.9Confident2 Ų260 Ų602%0.01731%0.312CS..SBendtrans-63130.4-178.700000111.5L315 K321 I330 I332 L356L315-A319 WeakPolarHBondContact O-CB 3.34Å; L315-A319 PolarHBondContact O-N 3.28Å; A319-K321 WeakPolarHBondContact O-CD 3.38Å; A319-K321 WeakPolarHBondContact O-CE 3.38Å; A319-K321 PolarHBondContact O-N 3.03Å; A319-I330 WeakPolarHBondContact CB-O 3.38Å; A319-I332 HydrophobicContact CB-CD1 3.98Å; A319-I332 HydrophobicContact CB-CG1 3.55Å; A319-L356 HydrophobicContact CB-CD2 4.04Å
320P92.6Very high89.1Confident10 Ų1058.3 Ų58.37%0.06531%0.306CS..  trans-49.9128.3178.2-32.137000113.7E327 P328 I330 Y386P320-E327 HydrophobicContact CB-CG 3.68Å; P320-P328 VanDerWaalsContact CB-O 3.23Å; P320-P328 WeakPolarHBondContact CB-O 3.21Å; P320-I330 HydrophobicContact CG-CD1 4.24Å; P320-I330 PolarHBondContact O-N 3.22Å; P320-Y386 HydrophobicContact CG-CD1 3.73Å; P320-Y386 HydrophobicContact CG-CE1 3.39Å
321K89.4Confident89.2Confident74 Ų7462.3 Ų62.332%0.32233%0.327SS..  trans-90.9-7.3-177.9-57.8-55177.9-167.40113.2N316 A319 Q323 E327N316-K321 WeakPolarHBondContact O-CE 3.3Å; N316-K321 PolarHBondContact O-NZ 3.29Å; A319-K321 WeakPolarHBondContact O-CD 3.38Å; A319-K321 WeakPolarHBondContact O-CE 3.38Å; A319-K321 PolarHBondContact O-N 3.03Å; K321-Q323 VanDerWaalsContact C-N 3.31Å; K321-Q323 HydrophobicContact CB-CG 3.92Å; K321-E327 PolarHBondContact N-OE2 3.07Å
322G85.3Confident89.3Confident37 Ų3762.8 Ų62.838%0.38133%0.329SS..SBendtrans70.730.9-177.300000112.3E327G322-E327 WeakPolarHBondContact CA-O 3.35Å; G322-E327 PolarHBondContact N-OE2 2.91Å
323Q80.8Confident89.3Confident169 Ų16966.5 Ų66.579%0.7935%0.349SS*.  trans-92.1-23.4-179.6-67.2176.9400111.8K321 E327K321-Q323 VanDerWaalsContact C-N 3.31Å; K321-Q323 HydrophobicContact CB-CG 3.92Å; Q323-E327 PolarHBondContact N-OE2 3.17Å
324K77.4Confident89.3Confident136 Ų13667.9 Ų67.959%0.59136%0.356SS*.SBendtrans-94.6145.9178.2-64.1178.5-178.4176.40110.4G326 E327K324-G326 PolarHBondContact O-N 3.05Å; K324-E327 HydrophobicContact CB-CB 4Å; K324-E327 WeakPolarHBondContact O-CB 3.24Å; K324-E327 PolarHBondContact O-N 3.3Å
325E74.9Confident89.1Confident208 Ų20872 Ų7297%0.97239%0.385SS*.THydrogen-bonded Turntrans-59.6125.9178.7-168.2172.6-170.900110.5E327E325-E327 VanDerWaalsContact C-N 3.3Å; E325-E327 PolarHBondContact O-N 3.06Å
326G74.4Confident88.9Confident81 Ų8172.4 Ų72.484%0.83539%0.39SS*.THydrogen-bonded Turntrans79.2-0.7-176.900000115.9K324 P328K324-G326 PolarHBondContact O-N 3.05Å; G326-P328 WeakPolarHBondContact O-CD 3.41Å
327E81.7Confident88.6Confident64 Ų6471.5 Ų71.530%0.29938%0.383SS..  trans-83.1115.9177.4-174.8-175.4-109.500110.9P320 K321 G322 Q323 K324 E325 R329P320-E327 HydrophobicContact CB-CG 3.68Å; K321-E327 PolarHBondContact N-OE2 3.07Å; G322-E327 WeakPolarHBondContact CA-O 3.35Å; G322-E327 PolarHBondContact N-OE2 2.91Å; Q323-E327 PolarHBondContact N-OE2 3.17Å; K324-E327 HydrophobicContact CB-CB 4Å; K324-E327 WeakPolarHBondContact O-CB 3.24Å; K324-E327 PolarHBondContact O-N 3.3Å; E325-E327 VanDerWaalsContact C-N 3.3Å; E325-E327 PolarHBondContact O-N 3.06Å; E327-R329 PolarHBondContact O-N 3.4Å
328P84.3Confident88.4Confident92 Ų9275 Ų7560%0.59740%0.404SS*.  trans-69.4128176.128.3-32.7000109.9P320 G326 I330P320-P328 VanDerWaalsContact CB-O 3.23Å; P320-P328 WeakPolarHBondContact CB-O 3.21Å; G326-P328 WeakPolarHBondContact O-CD 3.41Å; P328-I330 PolarHBondContact O-N 3.17Å
329R92Very high88.3Confident167 Ų16777.8 Ų77.863%0.6342%0.417SS*.  trans-67.9129.5173.1179.8173.9171.1167.50.3110.4E327 D331E327-R329 PolarHBondContact O-N 3.4Å; R329-D331 IonicContact CZ-OD1 2.72Å; R329-D331 IonicContact CZ-OD2 3.1Å; R329-D331 IonicContact NE-OD1 2.66Å; R329-D331 PolarHBondContact NE-OD1 3.39Å; R329-D331 IonicContact NE-OD2 2.95Å; R329-D331 PolarHBondContact NE-OD2 2.65Å; R329-D331 IonicContact NH2-OD1 3.13Å; R329-D331 PolarHBondContact NH2-OD1 3.08Å; R329-D331 IonicContact NH2-OD2 3.64Å
330I93.9Very high88.1Confident28 Ų2883.7 Ų83.714%0.14445%0.453CS..  trans-123.8112.3175.9-56.7174.6000108.9A319 P320 P328 K355 L356A319-I330 WeakPolarHBondContact CB-O 3.38Å; P320-I330 HydrophobicContact CG-CD1 4.24Å; P320-I330 PolarHBondContact O-N 3.22Å; P328-I330 PolarHBondContact O-N 3.17Å; I330-K355 HydrophobicContact CG2-CB 4.02Å; I330-L356 HydrophobicContact CB-CD2 4.18Å; I330-L356 HydrophobicContact CD1-CD2 3.84Å; I330-L356 HydrophobicContact CG2-CD2 3.84Å
331D93.4Very high88Confident88 Ų8886.2 Ų86.247%0.47147%0.466SS..  trans-91.9127.1178.7-66-56.2000111.7R329 K355R329-D331 IonicContact CZ-OD1 2.72Å; R329-D331 IonicContact CZ-OD2 3.1Å; R329-D331 IonicContact NE-OD1 2.66Å; R329-D331 PolarHBondContact NE-OD1 3.39Å; R329-D331 IonicContact NE-OD2 2.95Å; R329-D331 PolarHBondContact NE-OD2 2.65Å; R329-D331 IonicContact NH2-OD1 3.13Å; R329-D331 PolarHBondContact NH2-OD1 3.08Å; R329-D331 IonicContact NH2-OD2 3.64Å; D331-K355 PolarHBondContact O-NZ 2.76Å
332I95Very high88Confident13 Ų1386 Ų867%0.06747%0.469CS..  trans-89.2123.2176.7-59.2-58.7000109.2L315 N316 A319 M334 Q352 L356L315-I332 HydrophobicContact CB-CD1 4.39Å; L315-I332 HydrophobicContact CB-CG1 4.38Å; L315-I332 HydrophobicContact CB-CG2 4.23Å; N316-I332 HydrophobicContact CB-CB 4.17Å; N316-I332 HydrophobicContact CB-CG2 4.21Å; A319-I332 HydrophobicContact CB-CD1 3.98Å; A319-I332 HydrophobicContact CB-CG1 3.55Å; I332-M334 HydrophobicContact CG2-SD 4.43Å; I332-M334 PolarHBondContact O-N 3.37Å; I332-Q352 HydrophobicContact CD1-CB 4.12Å; I332-Q352 HydrophobicContact CG2-CB 4Å; I332-Q352 HydrophobicContact CG2-CG 4Å; I332-L356 HydrophobicContact CD1-CD1 4.31Å; I332-L356 HydrophobicContact CD1-CG 4.36Å
333N93.6Very high88.2Confident79 Ų7988.4 Ų88.442%0.42247%0.472SS..  trans-83.8114.4178.7-176-13.9000110.2S335N333-S335 VanDerWaalsContact CG-OG 3.24Å; N333-S335 PolarHBondContact ND2-OG 2.81Å; N333-S335 WeakPolarHBondContact OD1-CB 3.05Å; N333-S335 PolarHBondContact OD1-N 3.37Å; N333-S335 PolarHBondContact OD1-OG 2.95Å
334M93.3Very high88.8Confident58 Ų5886.1 Ų86.129%0.28646%0.46SS..G310 helixtrans-85.20.4-179.8-63.4-68.1-72.800114F312 N316 I332 G336 F337F312-M334 HydrophobicContact CB-CE 3.92Å; F312-M334 HydrophobicContact CB-SD 3.89Å; F312-M334 HydrophobicContact CD1-SD 4.01Å; F312-M334 HydrophobicContact CG-SD 4.39Å; N316-M334 HydrophobicContact CB-SD 4.19Å; I332-M334 HydrophobicContact CG2-SD 4.43Å; I332-M334 PolarHBondContact O-N 3.37Å; M334-G336 PolarHBondContact O-N 3.4Å; M334-F337 HydrophobicContact CE-CB 4.5Å; M334-F337 HydrophobicContact CE-CD2 4.06Å; M334-F337 HydrophobicContact CE-CG 4.38Å; M334-F337 WeakPolarHBondContact O-CB 3.46Å; M334-F337 PolarHBondContact O-N 3.07Å
335S92.1Very high89.6Confident90 Ų9080.2 Ų80.263%0.62943%0.434SS*.G310 helixtrans-59.1-34.4-177.955.30000113.4N333 F337N333-S335 VanDerWaalsContact CG-OG 3.24Å; N333-S335 PolarHBondContact ND2-OG 2.81Å; N333-S335 WeakPolarHBondContact OD1-CB 3.05Å; N333-S335 PolarHBondContact OD1-N 3.37Å; N333-S335 PolarHBondContact OD1-OG 2.95Å; S335-F337 PolarHBondContact O-N 3.32Å
336G90.5Very high90.5Very high9 Ų970.3 Ų70.39%0.09339%0.387CS..G310 helixtrans-68.7-13.6175.500000114.3M334 N338 E339 R345M334-G336 PolarHBondContact O-N 3.4Å; G336-N338 VanDerWaalsContact C-N 3.3Å; G336-N338 PolarHBondContact O-N 3.08Å; G336-E339 VanDerWaalsContact O-CB 3.22Å; G336-E339 WeakPolarHBondContact O-CB 3.46Å; G336-E339 PolarHBondContact O-N 3.1Å; G336-E339 VanDerWaalsContact O-N 3.13Å; G336-R345 WeakPolarHBondContact O-CG 3.41Å
337F90.9Very high91.5Very high30 Ų3069 Ų6913%0.13236%0.359CS..G310 helixtrans-60.7-36-176.9178.5-93.2000113.6W286 K309 F312 H313 M334 S335 R345W286-F337 HydrophobicContact CH2-CE2 4.22Å; W286-F337 AromaticContact CH2-CZ 3.65Å; W286-F337 HydrophobicContact CH2-CZ 3.65Å; W286-F337 HydrophobicContact CZ3-CE2 4.33Å; W286-F337 AromaticContact CZ3-CZ 3.69Å; W286-F337 HydrophobicContact CZ3-CZ 3.69Å; K309-F337 HydrophobicContact CB-CD2 4.25Å; K309-F337 HydrophobicContact CB-CE2 3.57Å; K309-F337 HydrophobicContact CB-CZ 4.15Å; K309-F337 HydrophobicContact CD-CE2 4.17Å; K309-F337 HydrophobicContact CD-CZ 3.98Å; K309-F337 HydrophobicContact CG-CD2 4.22Å; K309-F337 HydrophobicContact CG-CE2 3.78Å; K309-F337 HydrophobicContact CG-CZ 4.12Å; F312-F337 HydrophobicContact CB-CD2 3.85Å; F312-F337 HydrophobicContact CD2-CB 4.37Å; F312-F337 HydrophobicContact CD2-CD2 4.19Å; F312-F337 HydrophobicContact CG-CB 4.38Å; F312-F337 HydrophobicContact CG-CD2 4.19Å; H313-F337 AromaticContact CD2-CE2 3.63Å; H313-F337 AromaticContact NE2-CE2 3.48Å; H313-F337 WeakPolarHBondContact NE2-CE2 3.18Å; H313-F337 AromaticContact NE2-CZ 3.75Å; M334-F337 HydrophobicContact CE-CB 4.5Å; M334-F337 HydrophobicContact CE-CD2 4.06Å; M334-F337 HydrophobicContact CE-CG 4.38Å; M334-F337 WeakPolarHBondContact O-CB 3.46Å; M334-F337 PolarHBondContact O-N 3.07Å; S335-F337 PolarHBondContact O-N 3.32Å; F337-R345 WeakPolarHBondContact O-CD 3.25Å
338N90.6Very high92.2Very high134 Ų13467.4 Ų67.472%0.71736%0.355SS*.G310 helixtrans-92.86.5-179.6-68.9-41.7000113.1G336 T340G336-N338 VanDerWaalsContact C-N 3.3Å; G336-N338 PolarHBondContact O-N 3.08Å; N338-T340 PolarHBondContact O-N 2.92Å
339E93.3Very high92.7Very high64 Ų6463 Ų6330%0.29933%0.327SS..  trans-58134.4173177.653.2-104.100109.4G336 D341 K344 R345G336-E339 VanDerWaalsContact O-CB 3.22Å; G336-E339 WeakPolarHBondContact O-CB 3.46Å; G336-E339 PolarHBondContact O-N 3.1Å; G336-E339 VanDerWaalsContact O-N 3.13Å; E339-D341 HydrophobicContact CG-CB 4.42Å; E339-D341 PolarHBondContact OE1-N 3.49Å; E339-D341 VanDerWaalsContact OE1-N 3.15Å; E339-K344 HydrophobicContact CG-CB 3.71Å; E339-R345 HydrophobicContact CB-CB 3.96Å; E339-R345 HydrophobicContact CB-CG 4.34Å; E339-R345 HydrophobicContact CG-CB 4.17Å; E339-R345 WeakPolarHBondContact O-CD 3.43Å; E339-R345 PolarHBondContact O-NH1 3.37Å
340T89.9Confident92.9Very high127 Ų12755 Ų5578%0.77930%0.297SS*.SBendtrans-80.9-32-176.251.60000112.4N338N338-T340 PolarHBondContact O-N 2.92Å
341D91.1Very high93Very high62 Ų6258.3 Ų58.333%0.33231%0.312SS..SBendtrans-82.3117.2178.1-179.3-50000110.3E339 L343 K344 R345E339-D341 HydrophobicContact CG-CB 4.42Å; E339-D341 PolarHBondContact OE1-N 3.49Å; E339-D341 VanDerWaalsContact OE1-N 3.15Å; D341-L343 VanDerWaalsContact C-N 3.29Å; D341-L343 PolarHBondContact O-N 3.11Å; D341-L343 WeakPolarHBondContact OD1-CA 3.47Å; D341-L343 WeakPolarHBondContact OD1-CB 3.21Å; D341-L343 PolarHBondContact OD1-N 3.43Å; D341-K344 HydrophobicContact CB-CB 4.03Å; D341-K344 HydrophobicContact CB-CD 3.94Å; D341-K344 HydrophobicContact CB-CG 4.03Å; D341-K344 PolarHBondContact O-N 2.81Å; D341-K344 PolarHBondContact OD1-N 3.25Å; D341-R345 VanDerWaalsContact O-CB 3.31Å; D341-R345 WeakPolarHBondContact O-CB 3.48Å; D341-R345 PolarHBondContact O-N 2.92Å
342D88.5Confident93.1Very high70 Ų7054.8 Ų54.837%0.37429%0.292SS..Hα-helixtrans-60.9-35.2-175.6-70.3-4.1000112.9R345 A346 V368D342-R345 IonicContact OD1-CZ 2.74Å; D342-R345 IonicContact OD1-NH1 2.85Å; D342-R345 PolarHBondContact OD1-NH1 2.87Å; D342-R345 IonicContact OD1-NH2 2.61Å; D342-R345 PolarHBondContact OD1-NH2 3.49Å; D342-A346 VanDerWaalsContact O-CB 3.3Å; D342-A346 WeakPolarHBondContact O-CB 3.42Å; D342-A346 PolarHBondContact O-N 2.97Å; D342-V368 HydrophobicContact CB-CG1 4.13Å; D342-V368 HydrophobicContact CB-CG2 3.9Å; D342-V368 WeakPolarHBondContact O-CG2 3.41Å
343L90.1Very high93.2Very high87 Ų8754.2 Ų54.246%0.45529%0.289SS..Hα-helixtrans-71.5-43.7178.3-74.8171000111.2D341 R345 A346 E347 P364 A365 V368D341-L343 VanDerWaalsContact C-N 3.29Å; D341-L343 PolarHBondContact O-N 3.11Å; D341-L343 WeakPolarHBondContact OD1-CA 3.47Å; D341-L343 WeakPolarHBondContact OD1-CB 3.21Å; D341-L343 PolarHBondContact OD1-N 3.43Å; L343-R345 VanDerWaalsContact C-N 3.29Å; L343-R345 PolarHBondContact O-N 3.18Å; L343-A346 PolarHBondContact O-N 3.27Å; L343-E347 PolarHBondContact O-N 2.96Å; L343-P364 HydrophobicContact CD2-CB 4.25Å; L343-A365 HydrophobicContact CD2-CB 4.35Å; L343-V368 HydrophobicContact CD2-CB 4.24Å; L343-V368 HydrophobicContact CD2-CG2 3.95Å; L343-V368 HydrophobicContact CG-CG2 4.37Å
344K94.5Very high93.2Very high121 Ų12154.8 Ų54.853%0.52629%0.292SS..Hα-helixtrans-65.3-36.3175.1-66.8-178.4-169.3168.70111.7E339 D341 E347 S348E339-K344 HydrophobicContact CG-CB 3.71Å; D341-K344 HydrophobicContact CB-CB 4.03Å; D341-K344 HydrophobicContact CB-CD 3.94Å; D341-K344 HydrophobicContact CB-CG 4.03Å; D341-K344 PolarHBondContact O-N 2.81Å; D341-K344 PolarHBondContact OD1-N 3.25Å; K344-E347 PolarHBondContact O-N 3.05Å; K344-S348 WeakPolarHBondContact O-CB 3.33Å; K344-S348 PolarHBondContact O-N 3.29Å; K344-S348 PolarHBondContact O-OG 3.43Å
345R94.4Very high93.3Very high12 Ų1256.9 Ų56.95%0.04530%0.3CS..Hα-helixtrans-65-45175-170.1158.370.5-112-9.2111.3D307 F312 G336 F337 E339 D341 D342 L343 S348 M349D307-R345 VanDerWaalsContact O-CZ 3.22Å; D307-R345 PolarHBondContact O-NE 2.89Å; D307-R345 PolarHBondContact O-NH2 3.21Å; F312-R345 HydrophobicContact CE2-CG 3.87Å; G336-R345 WeakPolarHBondContact O-CG 3.41Å; F337-R345 WeakPolarHBondContact O-CD 3.25Å; E339-R345 HydrophobicContact CB-CB 3.96Å; E339-R345 HydrophobicContact CB-CG 4.34Å; E339-R345 HydrophobicContact CG-CB 4.17Å; E339-R345 WeakPolarHBondContact O-CD 3.43Å; E339-R345 PolarHBondContact O-NH1 3.37Å; D341-R345 VanDerWaalsContact O-CB 3.31Å; D341-R345 WeakPolarHBondContact O-CB 3.48Å; D341-R345 PolarHBondContact O-N 2.92Å; D342-R345 IonicContact OD1-CZ 2.74Å; D342-R345 IonicContact OD1-NH1 2.85Å; D342-R345 PolarHBondContact OD1-NH1 2.87Å; D342-R345 IonicContact OD1-NH2 2.61Å; D342-R345 PolarHBondContact OD1-NH2 3.49Å; L343-R345 VanDerWaalsContact C-N 3.29Å; L343-R345 PolarHBondContact O-N 3.18Å; R345-S348 PolarHBondContact O-N 2.89Å; R345-M349 WeakPolarHBondContact O-CB 3.48Å; R345-M349 PolarHBondContact O-N 3.11Å
346A92.4Very high93.4Very high0 Ų052.8 Ų52.80%027%0.271CS..Hα-helixtrans-62.3-42.917500000112.2S308 D342 L343 S348 M349 L350 P364 V367 V368S308-A346 VanDerWaalsContact OG-CA 3.3Å; S308-A346 WeakPolarHBondContact OG-CA 3.47Å; S308-A346 WeakPolarHBondContact OG-CB 3.4Å; D342-A346 VanDerWaalsContact O-CB 3.3Å; D342-A346 WeakPolarHBondContact O-CB 3.42Å; D342-A346 PolarHBondContact O-N 2.97Å; L343-A346 PolarHBondContact O-N 3.27Å; A346-S348 PolarHBondContact O-N 3.3Å; A346-M349 WeakPolarHBondContact O-CB 3.44Å; A346-M349 PolarHBondContact O-N 3.26Å; A346-L350 WeakPolarHBondContact O-CG 3.49Å; A346-L350 PolarHBondContact O-N 3.41Å; A346-P364 HydrophobicContact CB-CB 3.94Å; A346-V367 HydrophobicContact CB-CB 4.14Å; A346-V367 HydrophobicContact CB-CG1 4.22Å; A346-V368 HydrophobicContact CB-CG2 4.03Å
347E95.5Very high93.4Very high53 Ų5353.5 Ų53.525%0.24828%0.278CS..Hα-helixtrans-62.6-43.3174.9179.651.8-140.600111.8L343 K344 M349 L350 Q351 R359 P364L343-E347 PolarHBondContact O-N 2.96Å; K344-E347 PolarHBondContact O-N 3.05Å; E347-M349 VanDerWaalsContact C-N 3.28Å; E347-M349 PolarHBondContact O-N 3.11Å; E347-L350 PolarHBondContact O-N 3.03Å; E347-Q351 WeakPolarHBondContact O-CG 3.19Å; E347-Q351 PolarHBondContact O-N 3.21Å; E347-Q351 WeakPolarHBondContact OE1-CG 3.47Å; E347-Q351 PolarHBondContact OE1-NE2 3.42Å; E347-R359 IonicContact OE1-CZ 2.73Å; E347-R359 IonicContact OE1-NH1 3.29Å; E347-R359 PolarHBondContact OE1-NH1 3.24Å; E347-R359 IonicContact OE1-NH2 2.8Å; E347-R359 PolarHBondContact OE1-NH2 2.87Å; E347-R359 IonicContact OE2-CZ 3.82Å; E347-R359 IonicContact OE2-NH1 2.84Å; E347-R359 IonicContact OE2-NH2 2.81Å; E347-R359 PolarHBondContact OE2-NH2 3.01Å; E347-P364 HydrophobicContact CB-CB 4.36Å; E347-P364 HydrophobicContact CB-CG 3.78Å; E347-P364 HydrophobicContact CG-CG 4.44Å; E347-P364 WeakPolarHBondContact OE2-CG 3.42Å
348S96.3Very high93.5Very high31 Ų3152.1 Ų52.122%0.21727%0.272CS..Hα-helixtrans-60.3-39175.8-60.40000112K344 R345 A346 Q352K344-S348 WeakPolarHBondContact O-CB 3.33Å; K344-S348 PolarHBondContact O-N 3.29Å; K344-S348 PolarHBondContact O-OG 3.43Å; R345-S348 PolarHBondContact O-N 2.89Å; A346-S348 PolarHBondContact O-N 3.3Å; S348-Q352 WeakPolarHBondContact O-CG 3.47Å; S348-Q352 PolarHBondContact O-N 3.27Å; S348-Q352 PolarHBondContact O-NE2 2.87Å
349M95.9Very high93.5Very high0 Ų049.2 Ų49.20%025%0.251CS..Hα-helixtrans-63.8-46.8174.2-179.7-79.9-67.800111.3Y311 F312 L315 R345 A346 E347 Q351 Q352 A353 V367 F378Y311-M349 HydrophobicContact CD2-CE 3.77Å; Y311-M349 HydrophobicContact CD2-SD 4.42Å; Y311-M349 HydrophobicContact CG-CE 4.17Å; Y311-M349 HydrophobicContact CG-SD 4.22Å; F312-M349 HydrophobicContact CD2-CB 4.16Å; F312-M349 HydrophobicContact CD2-CG 4.37Å; F312-M349 HydrophobicContact CE1-CB 4.44Å; F312-M349 HydrophobicContact CE2-CB 3.66Å; F312-M349 HydrophobicContact CE2-CG 4.36Å; F312-M349 HydrophobicContact CZ-CB 3.82Å; L315-M349 HydrophobicContact CD1-CG 3.81Å; L315-M349 HydrophobicContact CD1-SD 3.83Å; R345-M349 WeakPolarHBondContact O-CB 3.48Å; R345-M349 PolarHBondContact O-N 3.11Å; A346-M349 WeakPolarHBondContact O-CB 3.44Å; A346-M349 PolarHBondContact O-N 3.26Å; E347-M349 VanDerWaalsContact C-N 3.28Å; E347-M349 PolarHBondContact O-N 3.11Å; M349-Q351 VanDerWaalsContact C-N 3.3Å; M349-Q351 PolarHBondContact O-N 3.2Å; M349-Q352 WeakPolarHBondContact O-CA 3.47Å; M349-Q352 WeakPolarHBondContact O-CB 3.23Å; M349-Q352 PolarHBondContact O-N 3.31Å; M349-A353 PolarHBondContact O-N 3.18Å; M349-V367 HydrophobicContact CE-CG1 4.1Å; M349-V367 HydrophobicContact CE-CG2 3.84Å; M349-F378 HydrophobicContact CE-CE1 4.31Å; M349-F378 HydrophobicContact CE-CZ 4.42Å; M349-F378 HydrophobicContact SD-CE1 4.07Å; M349-F378 HydrophobicContact SD-CZ 3.86Å
350L95.3Very high93.2Very high0 Ų048.3 Ų48.30%025%0.247CC..Hα-helixtrans-66.6-30.1179.2-68.3177.9000113.1A346 E347 Q352 A353 D354 R359 V362 P364 F378A346-L350 WeakPolarHBondContact O-CG 3.49Å; A346-L350 PolarHBondContact O-N 3.41Å; E347-L350 PolarHBondContact O-N 3.03Å; L350-Q352 VanDerWaalsContact C-N 3.28Å; L350-Q352 PolarHBondContact O-N 3.11Å; L350-A353 PolarHBondContact O-N 2.83Å; L350-D354 WeakPolarHBondContact O-CB 3.36Å; L350-D354 PolarHBondContact O-N 3.13Å; L350-R359 HydrophobicContact CB-CG 4.46Å; L350-V362 HydrophobicContact CD2-CG2 3.58Å; L350-P364 HydrophobicContact CD1-CG 3.99Å; L350-F378 HydrophobicContact CD2-CE2 3.98Å; L350-F378 HydrophobicContact CD2-CZ 4.05Å
351Q96.3Very high93Very high97 Ų9742.6 Ų42.645%0.45321%0.211SC..Hα-helixtrans-64-33.8169-70.7171.16.400112.1E347 M349E347-Q351 WeakPolarHBondContact O-CG 3.19Å; E347-Q351 PolarHBondContact O-N 3.21Å; E347-Q351 WeakPolarHBondContact OE1-CG 3.47Å; E347-Q351 PolarHBondContact OE1-NE2 3.42Å; M349-Q351 VanDerWaalsContact C-N 3.3Å; M349-Q351 PolarHBondContact O-N 3.2Å
352Q96.5Very high92.8Very high14 Ų1440 Ų407%0.06520%0.198CC..Hα-helixtrans-73.3-38.4173.7-56-37.9-69.100111.5F312 L315 I332 S348 M349 L350 D354 K355F312-Q352 HydrophobicContact CE1-CG 4.12Å; L315-Q352 HydrophobicContact CD1-CB 4.11Å; I332-Q352 HydrophobicContact CD1-CB 4.12Å; I332-Q352 HydrophobicContact CG2-CB 4Å; I332-Q352 HydrophobicContact CG2-CG 4Å; S348-Q352 WeakPolarHBondContact O-CG 3.47Å; S348-Q352 PolarHBondContact O-N 3.27Å; S348-Q352 PolarHBondContact O-NE2 2.87Å; M349-Q352 WeakPolarHBondContact O-CA 3.47Å; M349-Q352 WeakPolarHBondContact O-CB 3.23Å; M349-Q352 PolarHBondContact O-N 3.31Å; L350-Q352 VanDerWaalsContact C-N 3.28Å; L350-Q352 PolarHBondContact O-N 3.11Å; Q352-D354 VanDerWaalsContact C-N 3.26Å; Q352-D354 PolarHBondContact O-N 3.12Å; Q352-K355 WeakPolarHBondContact O-CB 3.26Å; Q352-K355 PolarHBondContact O-N 3.23Å
353A95.8Very high92.8Very high0 Ų038.2 Ų38.20%019%0.19CC..Hα-helixtrans-62.4-33.6172.800000112.3L315 M349 L350 K355 L356 G357 C358 F378L315-A353 HydrophobicContact CD1-CB 4.29Å; L315-A353 HydrophobicContact CD2-CB 4.01Å; M349-A353 PolarHBondContact O-N 3.18Å; L350-A353 PolarHBondContact O-N 2.83Å; A353-K355 VanDerWaalsContact C-N 3.3Å; A353-K355 PolarHBondContact O-N 2.86Å; A353-L356 CarbonylContact O-C 3.51Å; A353-L356 WeakPolarHBondContact O-CA 3.47Å; A353-L356 WeakPolarHBondContact O-CB 3.35Å; A353-L356 PolarHBondContact O-N 3.5Å; A353-L356 VanDerWaalsContact O-N 3.08Å; A353-G357 PolarHBondContact O-N 3.33Å; A353-C358 PolarHBondContact O-N 3.32Å; A353-F378 HydrophobicContact CB-CE2 3.83Å; A353-F378 HydrophobicContact CB-CZ 3.78Å
354D95Very high92.7Very high91 Ų9135.2 Ų35.249%0.48718%0.175SC..Hα-helixtrans-65-31.6177.2-16248.7000113.2L350 Q352 L356 G357 R359L350-D354 WeakPolarHBondContact O-CB 3.36Å; L350-D354 PolarHBondContact O-N 3.13Å; Q352-D354 VanDerWaalsContact C-N 3.26Å; Q352-D354 PolarHBondContact O-N 3.12Å; D354-L356 PolarHBondContact O-N 3.1Å; D354-G357 WeakPolarHBondContact O-CA 3.27Å; D354-G357 PolarHBondContact O-N 2.93Å; D354-R359 HydrophobicContact CB-CB 3.98Å
355K95Very high92.3Very high103 Ų10332 Ų3245%0.44817%0.171SC..Hα-helixtrans-62.8-28.6172-64.1175.1175.1176.10113I330 D331 Q352 A353 G357I330-K355 HydrophobicContact CG2-CB 4.02Å; D331-K355 PolarHBondContact O-NZ 2.76Å; Q352-K355 WeakPolarHBondContact O-CB 3.26Å; Q352-K355 PolarHBondContact O-N 3.23Å; A353-K355 VanDerWaalsContact C-N 3.3Å; A353-K355 PolarHBondContact O-N 2.86Å; K355-G357 VanDerWaalsContact C-N 3.27Å
356L93Very high91.7Very high4 Ų431.5 Ų31.52%0.02117%0.169CC..THydrogen-bonded Turntrans-85.9-2.4172-60.4177.4000111.5L315 I318 A319 I330 I332 A353 D354 C358 Y386L315-L356 HydrophobicContact CD2-CD1 3.76Å; I318-L356 HydrophobicContact CD1-CD1 4.47Å; I318-L356 HydrophobicContact CG1-CD1 4.34Å; A319-L356 HydrophobicContact CB-CD2 4.04Å; I330-L356 HydrophobicContact CB-CD2 4.18Å; I330-L356 HydrophobicContact CD1-CD2 3.84Å; I330-L356 HydrophobicContact CG2-CD2 3.84Å; I332-L356 HydrophobicContact CD1-CD1 4.31Å; I332-L356 HydrophobicContact CD1-CG 4.36Å; A353-L356 CarbonylContact O-C 3.51Å; A353-L356 WeakPolarHBondContact O-CA 3.47Å; A353-L356 WeakPolarHBondContact O-CB 3.35Å; A353-L356 PolarHBondContact O-N 3.5Å; A353-L356 VanDerWaalsContact O-N 3.08Å; D354-L356 PolarHBondContact O-N 3.1Å; L356-C358 HydrophobicContact CB-CB 4.29Å; L356-C358 PolarHBondContact O-N 2.94Å; L356-C358 PolarHBondContact O-SG 3.48Å; L356-Y386 HydrophobicContact CB-CD2 4.18Å; L356-Y386 HydrophobicContact CB-CE2 3.61Å; L356-Y386 HydrophobicContact CD1-CD2 4.47Å; L356-Y386 HydrophobicContact CD2-CD2 4.4Å; L356-Y386 HydrophobicContact CD2-CE1 4.47Å; L356-Y386 HydrophobicContact CD2-CE2 4.01Å; L356-Y386 HydrophobicContact CG-CE2 4.28Å; L356-Y386 WeakPolarHBondContact O-CE2 3.05Å; L356-Y386 PolarHBondContact O-OH 2.88Å
357G91.3Very high91.3Very high24 Ų2431.5 Ų31.525%0.24717%0.169CC..THydrogen-bonded Turntrans66.323.3-171.700000113.2A353 D354 K355 Q360 K385A353-G357 PolarHBondContact O-N 3.33Å; D354-G357 WeakPolarHBondContact O-CA 3.27Å; D354-G357 PolarHBondContact O-N 2.93Å; K355-G357 VanDerWaalsContact C-N 3.27Å; G357-Q360 PolarHBondContact O-NE2 3.02Å; G357-Q360 PolarHBondContact O-OE1 3.04Å; G357-K385 PolarHBondContact O-NZ 3.44Å
358C92.4Very high90.7Very high0 Ų030.8 Ų30.80%017%0.168CC..  trans-108.411.7-171.5-61.40000114.4A353 L356 Q360 F378 N381 L382 K385A353-C358 PolarHBondContact O-N 3.32Å; L356-C358 HydrophobicContact CB-CB 4.29Å; L356-C358 PolarHBondContact O-N 2.94Å; L356-C358 PolarHBondContact O-SG 3.48Å; C358-Q360 VanDerWaalsContact C-OE1 3.29Å; C358-Q360 PolarHBondContact O-N 2.86Å; C358-F378 WeakPolarHBondContact O-CD2 3.35Å; C358-F378 WeakPolarHBondContact O-CE2 3.49Å; C358-N381 WeakPolarHBondContact CA-ND2 3.29Å; C358-N381 PolarHBondContact O-ND2 2.82Å; C358-L382 HydrophobicContact CB-CD2 3.38Å; C358-L382 HydrophobicContact CB-CG 4.43Å; C358-K385 WeakPolarHBondContact SG-CD 3.49Å
359R91.1Very high89.7Confident74 Ų7432.4 Ų32.428%0.27918%0.179SC..  trans-60.9-14.8-175.6-179.7171.1179.41085.8115E347 L350 D354E347-R359 IonicContact OE1-CZ 2.73Å; E347-R359 IonicContact OE1-NH1 3.29Å; E347-R359 PolarHBondContact OE1-NH1 3.24Å; E347-R359 IonicContact OE1-NH2 2.8Å; E347-R359 PolarHBondContact OE1-NH2 2.87Å; E347-R359 IonicContact OE2-CZ 3.82Å; E347-R359 IonicContact OE2-NH1 2.84Å; E347-R359 IonicContact OE2-NH2 2.81Å; E347-R359 PolarHBondContact OE2-NH2 3.01Å; L350-R359 HydrophobicContact CB-CG 4.46Å; D354-R359 HydrophobicContact CB-CB 3.98Å
360Q86.9Confident88.7Confident45 Ų4532.5 Ų32.521%0.2118%0.181CC..THydrogen-bonded Turntrans-62.7164.6-169.8-55.7782800113G357 C358 V362 N381G357-Q360 PolarHBondContact O-NE2 3.02Å; G357-Q360 PolarHBondContact O-OE1 3.04Å; C358-Q360 VanDerWaalsContact C-OE1 3.29Å; C358-Q360 PolarHBondContact O-N 2.86Å; Q360-V362 VanDerWaalsContact C-N 3.3Å; Q360-V362 PolarHBondContact O-N 2.96Å; Q360-N381 PolarHBondContact OE1-ND2 2.72Å
361F85.7Confident87.9Confident6 Ų633.6 Ų33.63%0.02619%0.187CC..THydrogen-bonded Turntrans75.5-29.2177.3-55.5-74.9000118.2A128 W132 I235 L239 A377 N381A128-F361 WeakPolarHBondContact CB-O 3.44Å; W132-F361 HydrophobicContact CB-CE1 4.08Å; W132-F361 AromaticContact CD1-CE1 3.65Å; W132-F361 AromaticContact CD1-CE2 3.85Å; W132-F361 AromaticContact CD1-CZ 3.23Å; W132-F361 HydrophobicContact CD2-CE1 4.09Å; W132-F361 HydrophobicContact CD2-CZ 4.15Å; W132-F361 AromaticContact CE2-CZ 3.96Å; W132-F361 AromaticContact CG-CE1 3.66Å; W132-F361 HydrophobicContact CG-CE1 3.66Å; W132-F361 AromaticContact CG-CZ 3.74Å; W132-F361 HydrophobicContact CG-CZ 3.74Å; W132-F361 AromaticContact NE1-CZ 3.38Å; I235-F361 HydrophobicContact CG2-CE1 3.78Å; I235-F361 HydrophobicContact CG2-CZ 4.23Å; L239-F361 HydrophobicContact CD1-CE1 4.23Å; L239-F361 HydrophobicContact CD1-CE2 4.23Å; L239-F361 HydrophobicContact CD1-CZ 3.84Å; L239-F361 HydrophobicContact CD2-CE2 4.02Å; L239-F361 HydrophobicContact CD2-CZ 3.93Å; L239-F361 HydrophobicContact CG-CZ 4.32Å; F361-A377 HydrophobicContact CB-CB 3.91Å; F361-A377 HydrophobicContact CD1-CB 3.73Å; F361-A377 HydrophobicContact CD2-CB 4.05Å; F361-A377 HydrophobicContact CE1-CB 4.23Å; F361-A377 HydrophobicContact CG-CB 3.62Å; F361-N381 HydrophobicContact CD2-CB 4.14Å; F361-N381 HydrophobicContact CE2-CB 3.96Å
362V86.8Confident87Confident9 Ų932.2 Ų32.26%0.05519%0.186CC..  trans-126.3141.9-176-720000112.4L350 Q360 D366 V367 L374 F378L350-V362 HydrophobicContact CD2-CG2 3.58Å; Q360-V362 VanDerWaalsContact C-N 3.3Å; Q360-V362 PolarHBondContact O-N 2.96Å; V362-D366 HydrophobicContact CB-CB 4.23Å; V362-D366 HydrophobicContact CG1-CB 4.25Å; V362-V367 HydrophobicContact CB-CG2 4.03Å; V362-V367 HydrophobicContact CG2-CG2 4.13Å; V362-L374 VanDerWaalsContact CG1-C 3.45Å; V362-L374 HydrophobicContact CG1-CB 3.69Å; V362-L374 WeakPolarHBondContact CG1-O 3.09Å; V362-F378 HydrophobicContact CG1-CB 3.91Å; V362-F378 HydrophobicContact CG1-CG 4.49Å; V362-F378 HydrophobicContact CG2-CB 3.8Å; V362-F378 HydrophobicContact CG2-CD1 4.16Å; V362-F378 HydrophobicContact CG2-CD2 3.5Å; V362-F378 VanDerWaalsContact CG2-CD2 3.5Å; V362-F378 HydrophobicContact CG2-CE2 4.05Å; V362-F378 HydrophobicContact CG2-CG 3.55Å
363T88.3Confident86.2Confident32 Ų3234.3 Ų34.320%0.19620%0.195CC..  trans-97.4167.4162.670.90000110.3Y127 A365 D366 V367Y127-T363 HydrophobicContact CD1-CG2 3.66Å; Y127-T363 HydrophobicContact CE1-CG2 3.52Å; T363-A365 PolarHBondContact O-N 3.47Å; T363-A365 PolarHBondContact OG1-N 2.96Å; T363-D366 VanDerWaalsContact CB-OD2 3.28Å; T363-D366 WeakPolarHBondContact CB-OD2 3.4Å; T363-D366 WeakPolarHBondContact CG2-OD2 3.47Å; T363-D366 PolarHBondContact N-OD2 2.93Å; T363-D366 PolarHBondContact O-N 3.2Å; T363-D366 VanDerWaalsContact O-N 3.07Å; T363-D366 PolarHBondContact OG1-N 3.27Å; T363-D366 PolarHBondContact OG1-OD2 3.34Å; T363-V367 PolarHBondContact O-N 3.11Å
364P88.6Confident85.8Confident24 Ų2434.3 Ų34.316%0.15620%0.195CC..Hα-helixtrans-54-38.7173-27.435.8000113.1L343 A346 E347 L350 D366 V367 V368L343-P364 HydrophobicContact CD2-CB 4.25Å; A346-P364 HydrophobicContact CB-CB 3.94Å; E347-P364 HydrophobicContact CB-CB 4.36Å; E347-P364 HydrophobicContact CB-CG 3.78Å; E347-P364 HydrophobicContact CG-CG 4.44Å; E347-P364 WeakPolarHBondContact OE2-CG 3.42Å; L350-P364 HydrophobicContact CD1-CG 3.99Å; P364-D366 PolarHBondContact O-N 3.3Å; P364-V367 PolarHBondContact O-N 3.42Å; P364-V368 WeakPolarHBondContact O-CG2 3.36Å; P364-V368 PolarHBondContact O-N 3.18Å; P364-V368 VanDerWaalsContact O-N 3.11Å
365A85.1Confident85.4Confident52 Ų5230 Ų3043%0.4317%0.172SC..Hα-helixtrans-65.8-36.4177.800000112.3L343 T363 V368 S369L343-A365 HydrophobicContact CD2-CB 4.35Å; T363-A365 PolarHBondContact O-N 3.47Å; T363-A365 PolarHBondContact OG1-N 2.96Å; A365-V368 PolarHBondContact O-N 3.49Å; A365-S369 WeakPolarHBondContact O-CB 3.4Å; A365-S369 PolarHBondContact O-N 2.91Å; A365-S369 PolarHBondContact O-OG 2.77Å
366D82.3Confident85Confident2 Ų226 Ų261%0.01116%0.156CC..Hα-helixtrans-68.4-35.9178.6-58.1-39.6000112.7E124 V362 T363 P364 S369 G370 N371 L374 N375E124-D366 WeakPolarHBondContact CB-OD1 3.36Å; E124-D366 WeakPolarHBondContact CG-OD1 3.35Å; V362-D366 HydrophobicContact CB-CB 4.23Å; V362-D366 HydrophobicContact CG1-CB 4.25Å; T363-D366 VanDerWaalsContact CB-OD2 3.28Å; T363-D366 WeakPolarHBondContact CB-OD2 3.4Å; T363-D366 WeakPolarHBondContact CG2-OD2 3.47Å; T363-D366 PolarHBondContact N-OD2 2.93Å; T363-D366 PolarHBondContact O-N 3.2Å; T363-D366 VanDerWaalsContact O-N 3.07Å; T363-D366 PolarHBondContact OG1-N 3.27Å; T363-D366 PolarHBondContact OG1-OD2 3.34Å; P364-D366 PolarHBondContact O-N 3.3Å; D366-S369 WeakPolarHBondContact CA-OG 3.18Å; D366-S369 PolarHBondContact O-OG 2.84Å; D366-G370 PolarHBondContact O-N 3.24Å; D366-G370 VanDerWaalsContact O-N 3.07Å; D366-N371 PolarHBondContact O-N 3.28Å; D366-N371 VanDerWaalsContact O-N 3.07Å; D366-L374 HydrophobicContact CB-CD1 4.03Å; D366-N375 PolarHBondContact O-ND2 3.47Å
367V84.1Confident84.8Confident0 Ų025.9 Ų25.90%016%0.155CC..Hα-helixtrans-66.6-52.4175.31780000109.5K306 S308 Y311 A346 M349 V362 T363 P364 S369 G370K306-V367 WeakPolarHBondContact CA-O 3.41Å; S308-V367 VanDerWaalsContact OG-CG1 3.28Å; S308-V367 WeakPolarHBondContact OG-CG1 3.41Å; Y311-V367 HydrophobicContact CD2-CG1 4.17Å; Y311-V367 HydrophobicContact CE2-CG1 4.09Å; A346-V367 HydrophobicContact CB-CB 4.14Å; A346-V367 HydrophobicContact CB-CG1 4.22Å; M349-V367 HydrophobicContact CE-CG1 4.1Å; M349-V367 HydrophobicContact CE-CG2 3.84Å; V362-V367 HydrophobicContact CB-CG2 4.03Å; V362-V367 HydrophobicContact CG2-CG2 4.13Å; T363-V367 PolarHBondContact O-N 3.11Å; P364-V367 PolarHBondContact O-N 3.42Å; V367-S369 PolarHBondContact O-N 3.07Å; V367-G370 WeakPolarHBondContact O-CA 3.32Å; V367-G370 PolarHBondContact O-N 2.99Å
368V83.4Confident84.9Confident38 Ų3824.7 Ų24.723%0.2314%0.143CC..Hα-helixtrans-66.6-39.2-177.3176.50000112.1K306 D342 L343 A346 P364 A365 G370K306-V368 WeakPolarHBondContact CD-O 3.45Å; K306-V368 WeakPolarHBondContact CG-O 3.43Å; D342-V368 HydrophobicContact CB-CG1 4.13Å; D342-V368 HydrophobicContact CB-CG2 3.9Å; D342-V368 WeakPolarHBondContact O-CG2 3.41Å; L343-V368 HydrophobicContact CD2-CB 4.24Å; L343-V368 HydrophobicContact CD2-CG2 3.95Å; L343-V368 HydrophobicContact CG-CG2 4.37Å; A346-V368 HydrophobicContact CB-CG2 4.03Å; P364-V368 WeakPolarHBondContact O-CG2 3.36Å; P364-V368 PolarHBondContact O-N 3.18Å; P364-V368 VanDerWaalsContact O-N 3.11Å; A365-V368 PolarHBondContact O-N 3.49Å; V368-G370 PolarHBondContact O-N 2.87Å
369S76.1Confident85Confident65 Ų6524.7 Ų24.746%0.45514%0.143SC..Hα-helixtrans-67.7-23.3173.968.10000112.2K306 A365 D366 V367K306-S369 WeakPolarHBondContact CE-O 3.5Å; K306-S369 PolarHBondContact NZ-O 2.89Å; A365-S369 WeakPolarHBondContact O-CB 3.4Å; A365-S369 PolarHBondContact O-N 2.91Å; A365-S369 PolarHBondContact O-OG 2.77Å; D366-S369 WeakPolarHBondContact CA-OG 3.18Å; D366-S369 PolarHBondContact O-OG 2.84Å; V367-S369 PolarHBondContact O-N 3.07Å
370G73.9Confident85.1Confident3 Ų321.2 Ų21.23%0.03113%0.129CC..THydrogen-bonded Turntrans68.346.7-178.700000112.3D366 V367 V368 P372D366-G370 PolarHBondContact O-N 3.24Å; D366-G370 VanDerWaalsContact O-N 3.07Å; V367-G370 WeakPolarHBondContact O-CA 3.32Å; V367-G370 PolarHBondContact O-N 2.99Å; V368-G370 PolarHBondContact O-N 2.87Å; G370-P372 VanDerWaalsContact O-CD 3.32Å; G370-P372 WeakPolarHBondContact O-CD 3.33Å; G370-P372 VanDerWaalsContact O-N 3.17Å
371N77.9Confident85.4Confident23 Ų2319.9 Ų19.912%0.12312%0.124CC..  trans-60.7112.4175.3-177.1-44.3000109.7D366 K373 L374 N375D366-N371 PolarHBondContact O-N 3.28Å; D366-N371 VanDerWaalsContact O-N 3.07Å; N371-K373 PolarHBondContact O-N 2.9Å; N371-K373 PolarHBondContact OD1-N 3.44Å; N371-K373 VanDerWaalsContact OD1-N 3.15Å; N371-L374 HydrophobicContact CB-CB 4.22Å; N371-L374 HydrophobicContact CB-CD1 4.35Å; N371-L374 HydrophobicContact CB-CG 4.35Å; N371-L374 PolarHBondContact O-N 3.06Å; N371-L374 PolarHBondContact OD1-N 3.39Å; N371-N375 PolarHBondContact N-ND2 3.37Å; N371-N375 WeakPolarHBondContact O-CB 3.26Å; N371-N375 PolarHBondContact O-N 3.38Å; N371-N375 PolarHBondContact O-ND2 3.45Å
372P77.4Confident85.9Confident67 Ų6719.6 Ų19.644%0.43512%0.123SC..Hα-helixtrans-62.8-39.7-171.121.8-31.7000113.2G370 L376G370-P372 VanDerWaalsContact O-CD 3.32Å; G370-P372 WeakPolarHBondContact O-CD 3.33Å; G370-P372 VanDerWaalsContact O-N 3.17Å; P372-L376 WeakPolarHBondContact O-CB 3.45Å; P372-L376 PolarHBondContact O-N 3.43Å
373K80.6Confident86.3Confident59 Ų5919.2 Ų19.226%0.25712%0.12SC..Hα-helixtrans-70.2-47.3-176.9-66.5-172.5-160.2153.20110.9E125 W232 N371 L376 A377E125-K373 VanDerWaalsContact OE1-CD 3.28Å; E125-K373 WeakPolarHBondContact OE1-CD 3.34Å; E125-K373 WeakPolarHBondContact OE1-CE 3.41Å; E125-K373 IonicContact OE1-NZ 3.18Å; E125-K373 PolarHBondContact OE1-NZ 3.27Å; E125-K373 IonicContact OE2-NZ 2.81Å; E125-K373 PolarHBondContact OE2-NZ 3.43Å; W232-K373 HydrophobicContact CD2-CB 4.47Å; W232-K373 HydrophobicContact CD2-CD 3.93Å; W232-K373 HydrophobicContact CG-CD 4.09Å; W232-K373 HydrophobicContact CH2-CB 3.83Å; W232-K373 HydrophobicContact CH2-CG 4.46Å; W232-K373 VanDerWaalsContact CH2-O 3.27Å; W232-K373 WeakPolarHBondContact CH2-O 3.08Å; W232-K373 HydrophobicContact CZ2-CB 3.78Å; W232-K373 HydrophobicContact CZ2-CD 4.2Å; W232-K373 HydrophobicContact CZ2-CG 3.89Å; W232-K373 HydrophobicContact CZ3-CB 4.21Å; N371-K373 PolarHBondContact O-N 2.9Å; N371-K373 PolarHBondContact OD1-N 3.44Å; N371-K373 VanDerWaalsContact OD1-N 3.15Å; K373-L376 PolarHBondContact O-N 2.84Å; K373-A377 WeakPolarHBondContact O-CB 3.44Å; K373-A377 PolarHBondContact O-N 3.2Å
374L86.3Confident86.5Confident0 Ų020.1 Ų20.10%012%0.124CC..Hα-helixtrans-68.3-42.1-177.7-60.1-174.8000111.5E124 E125 A128 F129 V362 D366 N371 A377 F378E124-L374 HydrophobicContact CB-CD1 3.94Å; E125-L374 HydrophobicContact CG-CD2 4.39Å; A128-L374 HydrophobicContact CB-CD1 4.16Å; A128-L374 HydrophobicContact CB-CD2 3.59Å; F129-L374 HydrophobicContact CE1-CD2 4.26Å; V362-L374 VanDerWaalsContact CG1-C 3.45Å; V362-L374 HydrophobicContact CG1-CB 3.69Å; V362-L374 WeakPolarHBondContact CG1-O 3.09Å; D366-L374 HydrophobicContact CB-CD1 4.03Å; N371-L374 HydrophobicContact CB-CB 4.22Å; N371-L374 HydrophobicContact CB-CD1 4.35Å; N371-L374 HydrophobicContact CB-CG 4.35Å; N371-L374 PolarHBondContact O-N 3.06Å; N371-L374 PolarHBondContact OD1-N 3.39Å; L374-A377 PolarHBondContact O-N 3.14Å; L374-F378 WeakPolarHBondContact O-CB 3.27Å; L374-F378 PolarHBondContact O-N 3.12Å
375N87.1Confident86.7Confident0 Ų023.7 Ų23.70%014%0.137CC..Hα-helixtrans-64.6-41175-77.8-77.8000111.7F292 Y311 D366 N371 A377 F378 V379F292-N375 HydrophobicContact CB-CB 4.25Å; F292-N375 WeakPolarHBondContact O-CB 3.49Å; Y311-N375 PolarHBondContact OH-OD1 2.84Å; Y311-N375 VanDerWaalsContact OH-OD1 3.06Å; D366-N375 PolarHBondContact O-ND2 3.47Å; N371-N375 PolarHBondContact N-ND2 3.37Å; N371-N375 WeakPolarHBondContact O-CB 3.26Å; N371-N375 PolarHBondContact O-N 3.38Å; N371-N375 PolarHBondContact O-ND2 3.45Å; N375-A377 VanDerWaalsContact C-N 3.34Å; N375-A377 PolarHBondContact O-N 2.86Å; N375-F378 PolarHBondContact O-N 3.34Å; N375-V379 VanDerWaalsContact O-CG2 3.25Å; N375-V379 WeakPolarHBondContact O-CG2 3.15Å; N375-V379 PolarHBondContact O-N 3.16Å
376L86.9Confident87.1Confident20 Ų2023.9 Ų23.911%0.10513%0.127CC..Hα-helixtrans-60.7-43.9174.1-177.768.6000111.6F240 E270 L273 F292 P372 K373 V379 A380F240-L376 HydrophobicContact CE1-CG 4.3Å; F240-L376 HydrophobicContact CZ-CD1 4.03Å; F240-L376 HydrophobicContact CZ-CD2 3.74Å; F240-L376 HydrophobicContact CZ-CG 3.79Å; E270-L376 HydrophobicContact CB-CD1 4.47Å; E270-L376 HydrophobicContact CG-CD1 4.04Å; E270-L376 HydrophobicContact CG-CD2 3.92Å; L273-L376 HydrophobicContact CD2-CD1 3.9Å; F292-L376 HydrophobicContact CD2-CD1 3.65Å; F292-L376 HydrophobicContact CE2-CD1 4.05Å; P372-L376 WeakPolarHBondContact O-CB 3.45Å; P372-L376 PolarHBondContact O-N 3.43Å; K373-L376 PolarHBondContact O-N 2.84Å; L376-V379 PolarHBondContact O-N 2.84Å; L376-A380 WeakPolarHBondContact O-CB 3.29Å; L376-A380 PolarHBondContact O-N 3.48Å
377A89.7Confident87.6Confident0 Ų025.4 Ų25.40%014%0.137CC..Hα-helixtrans-64.8-41.6177.400000112.6W232 L239 F361 K373 L374 N375 A380 N381W232-A377 HydrophobicContact CH2-CB 4.17Å; W232-A377 HydrophobicContact CZ3-CB 3.96Å; L239-A377 HydrophobicContact CD1-CB 3.63Å; F361-A377 HydrophobicContact CB-CB 3.91Å; F361-A377 HydrophobicContact CD1-CB 3.73Å; F361-A377 HydrophobicContact CD2-CB 4.05Å; F361-A377 HydrophobicContact CE1-CB 4.23Å; F361-A377 HydrophobicContact CG-CB 3.62Å; K373-A377 WeakPolarHBondContact O-CB 3.44Å; K373-A377 PolarHBondContact O-N 3.2Å; L374-A377 PolarHBondContact O-N 3.14Å; N375-A377 VanDerWaalsContact C-N 3.34Å; N375-A377 PolarHBondContact O-N 2.86Å; A377-A380 PolarHBondContact O-N 2.79Å; A377-N381 WeakPolarHBondContact O-CB 3.46Å; A377-N381 PolarHBondContact O-N 3.29Å
378F92.7Very high88Confident0 Ų027.8 Ų27.80%016%0.157CC..Hα-helixtrans-59-47.2174175.6-113.7000111.5Y311 M349 L350 A353 C358 V362 L374 N375 N381 L382Y311-F378 HydrophobicContact CD1-CD1 4.38Å; Y311-F378 AromaticContact CD1-CE1 3.9Å; Y311-F378 HydrophobicContact CD1-CE1 3.9Å; Y311-F378 AromaticContact CE1-CD1 3.98Å; Y311-F378 HydrophobicContact CE1-CD1 3.98Å; Y311-F378 AromaticContact CE1-CE1 3.98Å; Y311-F378 HydrophobicContact CE1-CE1 3.98Å; Y311-F378 HydrophobicContact CG-CE1 4.22Å; M349-F378 HydrophobicContact CE-CE1 4.31Å; M349-F378 HydrophobicContact CE-CZ 4.42Å; M349-F378 HydrophobicContact SD-CE1 4.07Å; M349-F378 HydrophobicContact SD-CZ 3.86Å; L350-F378 HydrophobicContact CD2-CE2 3.98Å; L350-F378 HydrophobicContact CD2-CZ 4.05Å; A353-F378 HydrophobicContact CB-CE2 3.83Å; A353-F378 HydrophobicContact CB-CZ 3.78Å; C358-F378 WeakPolarHBondContact O-CD2 3.35Å; C358-F378 WeakPolarHBondContact O-CE2 3.49Å; V362-F378 HydrophobicContact CG1-CB 3.91Å; V362-F378 HydrophobicContact CG1-CG 4.49Å; V362-F378 HydrophobicContact CG2-CB 3.8Å; V362-F378 HydrophobicContact CG2-CD1 4.16Å; V362-F378 HydrophobicContact CG2-CD2 3.5Å; V362-F378 VanDerWaalsContact CG2-CD2 3.5Å; V362-F378 HydrophobicContact CG2-CE2 4.05Å; V362-F378 HydrophobicContact CG2-CG 3.55Å; L374-F378 WeakPolarHBondContact O-CB 3.27Å; L374-F378 PolarHBondContact O-N 3.12Å; N375-F378 PolarHBondContact O-N 3.34Å; F378-N381 WeakPolarHBondContact O-CB 3.5Å; F378-N381 PolarHBondContact O-N 3.04Å; F378-L382 HydrophobicContact CD1-CD1 4.21Å; F378-L382 HydrophobicContact CE1-CD1 3.77Å; F378-L382 HydrophobicContact CZ-CD1 4Å; F378-L382 HydrophobicContact CZ-CD2 4.43Å; F378-L382 HydrophobicContact CZ-CG 4.39Å; F378-L382 WeakPolarHBondContact O-CG 3.34Å; F378-L382 PolarHBondContact O-N 3.07Å
379V93.8Very high88.4Confident0 Ų026.9 Ų26.90%015%0.15CC..Hα-helixtrans-67.7-38.6179.4-179.20000111.9L273 W276 F292 Y311 N375 L376 N381 L382 F383L273-V379 HydrophobicContact CD1-CG1 3.85Å; L273-V379 HydrophobicContact CD2-CB 4.1Å; L273-V379 HydrophobicContact CD2-CG1 3.87Å; L273-V379 HydrophobicContact CG-CB 4.45Å; L273-V379 HydrophobicContact CG-CG1 3.68Å; W276-V379 HydrophobicContact CE3-CG1 4.16Å; W276-V379 HydrophobicContact CZ3-CG1 3.65Å; F292-V379 HydrophobicContact CD1-CB 4.45Å; F292-V379 HydrophobicContact CD1-CG1 4.44Å; F292-V379 HydrophobicContact CD1-CG2 3.84Å; F292-V379 HydrophobicContact CE1-CB 4.18Å; F292-V379 HydrophobicContact CE1-CG1 3.7Å; F292-V379 HydrophobicContact CE1-CG2 3.83Å; F292-V379 HydrophobicContact CE2-CG1 4.41Å; F292-V379 HydrophobicContact CG-CG2 4.49Å; F292-V379 HydrophobicContact CZ-CB 4.35Å; F292-V379 HydrophobicContact CZ-CG1 3.67Å; F292-V379 HydrophobicContact CZ-CG2 4.48Å; Y311-V379 HydrophobicContact CE1-CG2 3.53Å; N375-V379 VanDerWaalsContact O-CG2 3.25Å; N375-V379 WeakPolarHBondContact O-CG2 3.15Å; N375-V379 PolarHBondContact O-N 3.16Å; L376-V379 PolarHBondContact O-N 2.84Å; V379-N381 VanDerWaalsContact C-N 3.32Å; V379-N381 PolarHBondContact O-N 3.19Å; V379-L382 WeakPolarHBondContact O-CB 3.36Å; V379-L382 PolarHBondContact O-N 3.21Å; V379-F383 PolarHBondContact O-N 3.15Å
380A93.4Very high89Confident0 Ų028.9 Ų28.90%016%0.16CC..Hα-helixtrans-63.1-40.917500000111.4L239 F240 I243 L273 L376 A377 L382 F383 N384L239-A380 HydrophobicContact CB-CB 4.06Å; L239-A380 HydrophobicContact CD1-CB 4.48Å; F240-A380 HydrophobicContact CD1-CB 4.17Å; F240-A380 HydrophobicContact CE1-CB 3.85Å; I243-A380 HydrophobicContact CD1-CB 4.04Å; L273-A380 HydrophobicContact CD2-CB 3.87Å; L376-A380 WeakPolarHBondContact O-CB 3.29Å; L376-A380 PolarHBondContact O-N 3.48Å; A377-A380 PolarHBondContact O-N 2.79Å; A380-L382 VanDerWaalsContact C-N 3.33Å; A380-L382 PolarHBondContact O-N 3.39Å; A380-F383 PolarHBondContact O-N 3.48Å; A380-N384 WeakPolarHBondContact O-CB 3.47Å; A380-N384 VanDerWaalsContact O-CG 3.25Å; A380-N384 PolarHBondContact O-N 3.36Å; A380-N384 PolarHBondContact O-ND2 3.07Å
381N93.8Very high89.5Confident17 Ų1732.9 Ų32.99%0.09118%0.177CC..Hα-helixtrans-61.8-39.6173.7-174.444.1000112.2C358 Q360 F361 A377 F378 V379 K385C358-N381 WeakPolarHBondContact CA-ND2 3.29Å; C358-N381 PolarHBondContact O-ND2 2.82Å; Q360-N381 PolarHBondContact OE1-ND2 2.72Å; F361-N381 HydrophobicContact CD2-CB 4.14Å; F361-N381 HydrophobicContact CE2-CB 3.96Å; A377-N381 WeakPolarHBondContact O-CB 3.46Å; A377-N381 PolarHBondContact O-N 3.29Å; F378-N381 WeakPolarHBondContact O-CB 3.5Å; F378-N381 PolarHBondContact O-N 3.04Å; V379-N381 VanDerWaalsContact C-N 3.32Å; V379-N381 PolarHBondContact O-N 3.19Å; N381-K385 PolarHBondContact O-N 2.75Å
382L95.1Very high89.8Confident0 Ų033.3 Ų33.30%018%0.181CC..Hα-helixtrans-62-47.2172.9-66.8175.1000111.5W276 L314 L315 I318 C358 F378 V379 A380 K385 Y386W276-L382 HydrophobicContact CH2-CB 3.98Å; L314-L382 HydrophobicContact CD2-CD1 4.21Å; L315-L382 HydrophobicContact CD2-CD1 4.18Å; L315-L382 HydrophobicContact CD2-CD2 3.65Å; I318-L382 HydrophobicContact CD1-CB 3.9Å; I318-L382 HydrophobicContact CD1-CD1 4.39Å; I318-L382 HydrophobicContact CD1-CD2 4.06Å; I318-L382 HydrophobicContact CD1-CG 4.35Å; C358-L382 HydrophobicContact CB-CD2 3.38Å; C358-L382 HydrophobicContact CB-CG 4.43Å; F378-L382 HydrophobicContact CD1-CD1 4.21Å; F378-L382 HydrophobicContact CE1-CD1 3.77Å; F378-L382 HydrophobicContact CZ-CD1 4Å; F378-L382 HydrophobicContact CZ-CD2 4.43Å; F378-L382 HydrophobicContact CZ-CG 4.39Å; F378-L382 WeakPolarHBondContact O-CG 3.34Å; F378-L382 PolarHBondContact O-N 3.07Å; V379-L382 WeakPolarHBondContact O-CB 3.36Å; V379-L382 PolarHBondContact O-N 3.21Å; A380-L382 VanDerWaalsContact C-N 3.33Å; A380-L382 PolarHBondContact O-N 3.39Å; L382-K385 PolarHBondContact O-N 2.88Å; L382-Y386 CarbonylContact O-C 3.39Å; L382-Y386 WeakPolarHBondContact O-CA 3.42Å; L382-Y386 PolarHBondContact O-N 3.33Å
383F95.4Very high89.8Confident1 Ų139.2 Ų39.20%0.00420%0.203CC..Hα-helixtrans-60.6-50.3177.9174.2-90.8000111.7I243 L251 L273 W276 V379 A380 K385 Y386 P387I243-F383 HydrophobicContact CB-CE1 4.26Å; I243-F383 HydrophobicContact CD1-CD1 4.2Å; I243-F383 HydrophobicContact CG1-CD1 3.67Å; I243-F383 HydrophobicContact CG1-CE1 3.8Å; I243-F383 HydrophobicContact CG2-CE1 4.35Å; L251-F383 HydrophobicContact CD1-CZ 4.15Å; L251-F383 HydrophobicContact CD2-CE2 3.58Å; L251-F383 HydrophobicContact CD2-CZ 3.56Å; L251-F383 HydrophobicContact CG-CE2 4.42Å; L251-F383 HydrophobicContact CG-CZ 3.98Å; L273-F383 HydrophobicContact CD1-CB 3.53Å; L273-F383 HydrophobicContact CD1-CD2 4.4Å; L273-F383 HydrophobicContact CD1-CG 4Å; W276-F383 HydrophobicContact CB-CD2 4.38Å; W276-F383 AromaticContact CD1-CD2 3.65Å; W276-F383 AromaticContact CD1-CE2 3.85Å; W276-F383 HydrophobicContact CD2-CB 4.31Å; W276-F383 AromaticContact CD2-CD2 3.64Å; W276-F383 HydrophobicContact CD2-CD2 3.64Å; W276-F383 HydrophobicContact CD2-CG 4.45Å; W276-F383 AromaticContact CE2-CD2 3.63Å; W276-F383 HydrophobicContact CE3-CB 4.21Å; W276-F383 HydrophobicContact CE3-CD2 4.3Å; W276-F383 AromaticContact CG-CD2 3.64Å; W276-F383 HydrophobicContact CG-CD2 3.64Å; W276-F383 HydrophobicContact CG-CE2 4.08Å; W276-F383 HydrophobicContact CH2-CB 4.04Å; W276-F383 HydrophobicContact CZ2-CB 4.14Å; W276-F383 HydrophobicContact CZ2-CD2 4.25Å; W276-F383 HydrophobicContact CZ3-CB 4.07Å; W276-F383 AromaticContact NE1-CD2 3.6Å; V379-F383 PolarHBondContact O-N 3.15Å; A380-F383 PolarHBondContact O-N 3.48Å; F383-K385 PolarHBondContact O-N 3.24Å; F383-Y386 CarbonylContact O-C 3.36Å; F383-Y386 PolarHBondContact O-N 3.34Å; F383-P387 HydrophobicContact CD2-CB 4.34Å; F383-P387 HydrophobicContact CE2-CB 4.04Å; F383-P387 HydrophobicContact CZ-CB 4.38Å; F383-P387 WeakPolarHBondContact O-CA 3.19Å; F383-P387 WeakPolarHBondContact O-CD 3.34Å; F383-P387 WeakPolarHBondContact O-CG 3.33Å
384N93.2Very high89.3Confident51 Ų5140.5 Ų40.527%0.27321%0.212SC..Hα-helixtrans-61.2-31.9-176.4-69.8-17.2000112.6L239 A380L239-N384 PolarHBondContact O-ND2 3.46Å; A380-N384 WeakPolarHBondContact O-CB 3.47Å; A380-N384 VanDerWaalsContact O-CG 3.25Å; A380-N384 PolarHBondContact O-N 3.36Å; A380-N384 PolarHBondContact O-ND2 3.07Å
385K92.1Very high88.1Confident99 Ų9949.4 Ų49.443%0.4325%0.254SS..Hα-helixtrans-87-38.8177.2-73.7-175.7163.8-159.70113.5G357 C358 N381 L382 F383G357-K385 PolarHBondContact O-NZ 3.44Å; C358-K385 WeakPolarHBondContact SG-CD 3.49Å; N381-K385 PolarHBondContact O-N 2.75Å; L382-K385 PolarHBondContact O-N 2.88Å; F383-K385 PolarHBondContact O-N 3.24Å
386Y93.7Very high87.4Confident56 Ų5656.2 Ų56.222%0.2229%0.29CS..  trans-138.973.9-174.2-58.3-78.6000111P320 L356 L382 F383 A388P320-Y386 HydrophobicContact CG-CD1 3.73Å; P320-Y386 HydrophobicContact CG-CE1 3.39Å; L356-Y386 HydrophobicContact CB-CD2 4.18Å; L356-Y386 HydrophobicContact CB-CE2 3.61Å; L356-Y386 HydrophobicContact CD1-CD2 4.47Å; L356-Y386 HydrophobicContact CD2-CD2 4.4Å; L356-Y386 HydrophobicContact CD2-CE1 4.47Å; L356-Y386 HydrophobicContact CD2-CE2 4.01Å; L356-Y386 HydrophobicContact CG-CE2 4.28Å; L356-Y386 WeakPolarHBondContact O-CE2 3.05Å; L356-Y386 PolarHBondContact O-OH 2.88Å; L382-Y386 CarbonylContact O-C 3.39Å; L382-Y386 WeakPolarHBondContact O-CA 3.42Å; L382-Y386 PolarHBondContact O-N 3.33Å; F383-Y386 CarbonylContact O-C 3.36Å; F383-Y386 PolarHBondContact O-N 3.34Å; Y386-A388 PolarHBondContact O-N 3.46Å
387P93.4Very high86.9Confident35 Ų3556.2 Ų56.223%0.22729%0.29CS..  trans-60.3-34.8175.8-19.628.8000111.5W276 H280 F383 L389W276-P387 PolarHBondContact NE1-O 2.84Å; H280-P387 PolarHBondContact NE2-O 3.25Å; H280-P387 VanDerWaalsContact NE2-O 3.1Å; F383-P387 HydrophobicContact CD2-CB 4.34Å; F383-P387 HydrophobicContact CE2-CB 4.04Å; F383-P387 HydrophobicContact CZ-CB 4.38Å; F383-P387 WeakPolarHBondContact O-CA 3.19Å; F383-P387 WeakPolarHBondContact O-CD 3.34Å; F383-P387 WeakPolarHBondContact O-CG 3.33Å; P387-L389 PolarHBondContact O-N 2.91Å; P387-L389 VanDerWaalsContact O-N 3.07Å
388A93.2Very high86.3Confident50 Ų5060 Ų6041%0.41331%0.31SS..  trans5132-178.800000113.5H280 I318 Y386H280-A388 PolarHBondContact CE1-O 3.49Å; H280-A388 VanDerWaalsContact CE1-O 3.29Å; I318-A388 HydrophobicContact CB-CB 4.11Å; I318-A388 HydrophobicContact CG2-CB 4.21Å; Y386-A388 PolarHBondContact O-N 3.46Å
389L91.6Very high85.7Confident18 Ų1863.2 Ų63.29%0.09432%0.323CS..  trans-105.2147.7173.3-62.3179.6000109.6A250 L251 A253 L254 F279 P387A250-L389 HydrophobicContact CB-CB 3.74Å; A250-L389 WeakPolarHBondContact O-CD1 3.46Å; L251-L389 HydrophobicContact CD2-CD1 4.01Å; A253-L389 HydrophobicContact CB-CD2 4.4Å; L254-L389 HydrophobicContact CD1-CD1 4.31Å; L254-L389 HydrophobicContact CD2-CD1 4.11Å; L254-L389 HydrophobicContact CD2-CD2 3.98Å; L254-L389 HydrophobicContact CG-CD1 4.03Å; F279-L389 HydrophobicContact CD1-CD2 3.7Å; F279-L389 HydrophobicContact CE1-CD2 3.53Å; F279-L389 HydrophobicContact CZ-CD2 4.28Å; P387-L389 PolarHBondContact O-N 2.91Å; P387-L389 VanDerWaalsContact O-N 3.07Å
390T87Confident84.9Confident107 Ų10768 Ų6866%0.65635%0.352SS*.  trans-112.5131.6171.4-57.80000107.7
391K85.6Confident83.9Confident87 Ų8771.2 Ų71.238%0.37837%0.369SS..  trans-54.7125174.8-178.1178.1178.6170.80109E249 E393 W399E249-K391 HydrophobicContact CB-CD 4.37Å; E249-K391 WeakPolarHBondContact OE2-CD 3.45Å; E249-K391 WeakPolarHBondContact OE2-CE 3.48Å; E249-K391 IonicContact OE2-NZ 3.71Å; E249-K391 PolarHBondContact OE2-NZ 2.96Å; K391-E393 PolarHBondContact O-N 2.91Å; K391-W399 HydrophobicContact CD-CH2 4.19Å; K391-W399 HydrophobicContact CD-CZ2 4.37Å; K391-W399 VanDerWaalsContact CE-CH2 3.41Å; K391-W399 HydrophobicContact CG-CH2 3.77Å; K391-W399 HydrophobicContact CG-CZ2 4.08Å; K391-W399 HydrophobicContact CG-CZ3 4.5Å
392P84.4Confident82.8Confident32 Ų3271.3 Ų71.321%0.20837%0.369CS..  trans-64135176.325.1-32.4000109.8A252 N394 I397 W399A252-P392 HydrophobicContact CB-CG 3.98Å; P392-N394 PolarHBondContact O-N 2.92Å; P392-I397 HydrophobicContact CB-CD1 4.17Å; P392-I397 HydrophobicContact CG-CD1 3.55Å; P392-W399 HydrophobicContact CG-CH2 4.1Å; P392-W399 HydrophobicContact CG-CZ2 4.31Å
393E77.5Confident81.7Confident192 Ų19279.6 Ų79.690%0.89741%0.408SS*.  trans-79.68174.5-63.7-176.5175.600112.6K391 Q395K391-E393 PolarHBondContact O-N 2.91Å; E393-Q395 PolarHBondContact O-N 3.23Å
394N70.2Confident80.6Confident85 Ų8581.2 Ų81.246%0.45543%0.425SS..  trans-65125.7-172.3-162.74.1000111.3P392 D396 I397P392-N394 PolarHBondContact O-N 2.92Å; N394-D396 PolarHBondContact O-N 3.42Å; N394-I397 HydrophobicContact CB-CD1 4.3Å; N394-I397 HydrophobicContact CB-CG1 4.42Å
395Q60.4Low80.2Confident188 Ų18881.4 Ų81.488%0.87942%0.424SS*.THydrogen-bonded Turntrans-73.7-15-177.4-67.4-179.25.700112.9E393 I397E393-Q395 PolarHBondContact O-N 3.23Å; Q395-I397 VanDerWaalsContact C-N 3.3Å; Q395-I397 PolarHBondContact O-N 2.94Å
396D72.4Confident80.1Confident143 Ų14379.9 Ų79.977%0.76542%0.423SS*.THydrogen-bonded Turntrans-82.2-5-178.9-62-33.4000113.7N394N394-D396 PolarHBondContact O-N 3.42Å
397I76.9Confident79.8Confident20 Ų2080 Ų8010%0.10342%0.424CS..SBendtrans-86.8114.6176.1-60174.5000108.7A252 L255 L261 P392 N394 Q395 W399A252-I397 HydrophobicContact CB-CD1 4.43Å; L255-I397 HydrophobicContact CD1-CD1 4.11Å; L255-I397 HydrophobicContact CD1-CG1 4.41Å; L261-I397 HydrophobicContact CD1-CG2 4.34Å; L261-I397 HydrophobicContact CD2-CG2 3.94Å; P392-I397 HydrophobicContact CB-CD1 4.17Å; P392-I397 HydrophobicContact CG-CD1 3.55Å; N394-I397 HydrophobicContact CB-CD1 4.3Å; N394-I397 HydrophobicContact CB-CG1 4.42Å; Q395-I397 VanDerWaalsContact C-N 3.3Å; Q395-I397 PolarHBondContact O-N 2.94Å; I397-W399 HydrophobicContact CB-CZ2 4.01Å; I397-W399 HydrophobicContact CD1-CH2 4.22Å; I397-W399 HydrophobicContact CD1-CZ2 3.97Å; I397-W399 HydrophobicContact CG2-CD2 3.89Å; I397-W399 HydrophobicContact CG2-CE3 4.12Å; I397-W399 HydrophobicContact CG2-CG 4.46Å; I397-W399 HydrophobicContact CG2-CH2 4.06Å; I397-W399 HydrophobicContact CG2-CZ2 3.83Å; I397-W399 HydrophobicContact CG2-CZ3 4.21Å; I397-W399 PolarHBondContact O-N 3.3Å; I397-W399 PolarHBondContact O-NE1 3.31Å
398D77.2Confident79.6Confident79 Ų7981.5 Ų81.542%0.42243%0.427SS..  trans-75.892.9171.1-172.7-0.6000110.5T400 L401D398-T400 VanDerWaalsContact CG-OG1 3.24Å; D398-T400 PolarHBondContact O-N 3.28Å; D398-T400 WeakPolarHBondContact OD1-CB 3.33Å; D398-T400 WeakPolarHBondContact OD1-CG2 3.32Å; D398-T400 PolarHBondContact OD1-N 3.46Å; D398-T400 PolarHBondContact OD1-OG1 3Å; D398-T400 PolarHBondContact OD2-OG1 3.12Å; D398-L401 HydrophobicContact CB-CD1 3.96Å; D398-L401 HydrophobicContact CB-CG 4.12Å; D398-L401 WeakPolarHBondContact O-CB 3.36Å; D398-L401 PolarHBondContact O-N 3.12Å
399W80.5Confident79.6Confident68 Ų6880 Ų8026%0.25841%0.412SS..G310 helixtrans-65-16.1177.9-59.7101.1000113.4E249 A252 K391 P392 I397 L401 L402E249-W399 HydrophobicContact CB-CZ3 4.05Å; A252-W399 HydrophobicContact CB-CH2 3.71Å; A252-W399 HydrophobicContact CB-CZ3 3.93Å; K391-W399 HydrophobicContact CD-CH2 4.19Å; K391-W399 HydrophobicContact CD-CZ2 4.37Å; K391-W399 VanDerWaalsContact CE-CH2 3.41Å; K391-W399 HydrophobicContact CG-CH2 3.77Å; K391-W399 HydrophobicContact CG-CZ2 4.08Å; K391-W399 HydrophobicContact CG-CZ3 4.5Å; P392-W399 HydrophobicContact CG-CH2 4.1Å; P392-W399 HydrophobicContact CG-CZ2 4.31Å; I397-W399 HydrophobicContact CB-CZ2 4.01Å; I397-W399 HydrophobicContact CD1-CH2 4.22Å; I397-W399 HydrophobicContact CD1-CZ2 3.97Å; I397-W399 HydrophobicContact CG2-CD2 3.89Å; I397-W399 HydrophobicContact CG2-CE3 4.12Å; I397-W399 HydrophobicContact CG2-CG 4.46Å; I397-W399 HydrophobicContact CG2-CH2 4.06Å; I397-W399 HydrophobicContact CG2-CZ2 3.83Å; I397-W399 HydrophobicContact CG2-CZ3 4.21Å; I397-W399 PolarHBondContact O-N 3.3Å; I397-W399 PolarHBondContact O-NE1 3.31Å; W399-L401 PolarHBondContact O-N 3.02Å; W399-L402 HydrophobicContact CE3-CD1 3.48Å; W399-L402 VanDerWaalsContact CE3-CD1 3.48Å; W399-L402 HydrophobicContact CE3-CG 4.37Å; W399-L402 HydrophobicContact CZ3-CD1 3.82Å; W399-L402 WeakPolarHBondContact O-CB 3.28Å; W399-L402 PolarHBondContact O-N 2.91Å
400T75.1Confident79.6Confident101 Ų10183.4 Ų83.462%0.6242%0.423SS*.G310 helixtrans-68.7-18.217770.70000112.4D398 L402D398-T400 VanDerWaalsContact CG-OG1 3.24Å; D398-T400 PolarHBondContact O-N 3.28Å; D398-T400 WeakPolarHBondContact OD1-CB 3.33Å; D398-T400 WeakPolarHBondContact OD1-CG2 3.32Å; D398-T400 PolarHBondContact OD1-N 3.46Å; D398-T400 PolarHBondContact OD1-OG1 3Å; D398-T400 PolarHBondContact OD2-OG1 3.12Å; T400-L402 PolarHBondContact O-N 2.91Å
401L72.5Confident79.9Confident67 Ų6778.6 Ų78.635%0.35139%0.394SS..G310 helixtrans-72.9-11.8174.3-60.7174.1000113.5L261 E262 M265 D398 W399 E403L261-L401 HydrophobicContact CD2-CB 4.26Å; E262-L401 HydrophobicContact CG-CD1 4.26Å; M265-L401 WeakPolarHBondContact CE-O 3.45Å; D398-L401 HydrophobicContact CB-CD1 3.96Å; D398-L401 HydrophobicContact CB-CG 4.12Å; D398-L401 WeakPolarHBondContact O-CB 3.36Å; D398-L401 PolarHBondContact O-N 3.12Å; W399-L401 PolarHBondContact O-N 3.02Å; L401-E403 PolarHBondContact O-N 2.89Å
402L71.2Confident80.4Confident19 Ų1974.5 Ų74.510%0.09938%0.376CS..G310 helixtrans-82.216.7179.8-65.6-170.8000114.1L245 E249 L261 M265 W399 T400 G404L245-L402 HydrophobicContact CB-CD2 3.83Å; L245-L402 HydrophobicContact CD2-CD2 4.19Å; E249-L402 HydrophobicContact CB-CD1 4.42Å; E249-L402 HydrophobicContact CG-CD1 3.91Å; L261-L402 HydrophobicContact CD1-CD2 4.47Å; L261-L402 HydrophobicContact CD2-CD2 3.76Å; L261-L402 HydrophobicContact CD2-CG 4.1Å; L261-L402 HydrophobicContact CG-CD2 4.27Å; M265-L402 HydrophobicContact SD-CD2 4.08Å; W399-L402 HydrophobicContact CE3-CD1 3.48Å; W399-L402 VanDerWaalsContact CE3-CD1 3.48Å; W399-L402 HydrophobicContact CE3-CG 4.37Å; W399-L402 HydrophobicContact CZ3-CD1 3.82Å; W399-L402 WeakPolarHBondContact O-CB 3.28Å; W399-L402 PolarHBondContact O-N 2.91Å; T400-L402 PolarHBondContact O-N 2.91Å; L402-G404 PolarHBondContact O-N 2.62Å
403E71.7Confident80.9Confident173 Ų17375.3 Ų75.381%0.80838%0.375SS*.  trans-53.2113.3169.4-75.5-170.6173.200109.1L401L401-E403 PolarHBondContact O-N 2.89Å
404G73.3Confident81.8Confident36 Ų3667 Ų6737%0.37134%0.336SS..PPolyproline II helixtrans-67164.9-179.100000111.8L402 T406L402-G404 PolarHBondContact O-N 2.62Å; G404-T406 PolarHBondContact O-N 3.34Å
405E84.9Confident83Confident55 Ų5563 Ų6326%0.25732%0.315SS..PPolyproline II helixtrans-51.7127.4177-173-177.5-138.800111.6E409 R410 R413E405-E409 WeakPolarHBondContact CA-OE2 3.37Å; E405-E409 HydrophobicContact CG-CB 3.45Å; E405-E409 VanDerWaalsContact CG-CB 3.45Å; E405-R410 VanDerWaalsContact CD-N 3.33Å; E405-R410 HydrophobicContact CG-CB 4.11Å; E405-R410 VanDerWaalsContact OE1-CA 3.31Å; E405-R410 WeakPolarHBondContact OE1-CA 3.35Å; E405-R410 PolarHBondContact OE1-N 3.26Å; E405-R410 VanDerWaalsContact OE2-CA 3.27Å; E405-R410 WeakPolarHBondContact OE2-CA 3.43Å; E405-R410 WeakPolarHBondContact OE2-CB 3.46Å; E405-R410 WeakPolarHBondContact OE2-CG 3.39Å; E405-R413 WeakPolarHBondContact OE1-CD 3.44Å; E405-R413 IonicContact OE1-CZ 2.99Å; E405-R413 IonicContact OE1-NE 2.83Å; E405-R413 PolarHBondContact OE1-NE 2.99Å; E405-R413 IonicContact OE1-NH2 2.89Å; E405-R413 IonicContact OE2-CZ 2.8Å; E405-R413 IonicContact OE2-NE 2.86Å; E405-R413 PolarHBondContact OE2-NE 3.04Å; E405-R413 IonicContact OE2-NH2 3.51Å; E405-R413 PolarHBondContact OE2-NH2 3.32Å
406T89Confident84.6Confident67 Ų6754 Ų5441%0.41127%0.273SS..PPolyproline II helixtrans-68.8162.2176.673.20000111.2G404 E408 E409 R410G404-T406 PolarHBondContact O-N 3.34Å; T406-E408 VanDerWaalsContact C-N 3.28Å; T406-E408 PolarHBondContact O-N 3.43Å; T406-E409 PolarHBondContact N-OE2 2.92Å; T406-E409 PolarHBondContact O-N 2.94Å; T406-E409 VanDerWaalsContact OG1-CG 3.23Å; T406-E409 WeakPolarHBondContact OG1-CG 3.28Å; T406-E409 PolarHBondContact OG1-N 2.98Å; T406-E409 PolarHBondContact OG1-OE2 3.5Å; T406-R410 PolarHBondContact O-N 3.02Å
407R87.6Confident85.6Confident59 Ų5947.4 Ų47.422%0.22324%0.238CC..Hα-helixtrans-58.5-39178.4-167.8172.272.7-140.50.3113.1T411 L612 D615 E618R407-T411 WeakPolarHBondContact O-CB 3.26Å; R407-T411 PolarHBondContact O-N 2.74Å; R407-T411 VanDerWaalsContact O-N 3.17Å; R407-T411 PolarHBondContact O-OG1 3.08Å; R407-L612 HydrophobicContact CG-CD1 3.29Å; R407-D615 IonicContact CZ-OD1 3.97Å; R407-D615 IonicContact NE-OD1 3.92Å; R407-D615 PolarHBondContact NE-OD1 3.47Å; R407-D615 IonicContact NH2-OD1 3.14Å; R407-D615 PolarHBondContact NH2-OD1 2.84Å; R407-E618 IonicContact CZ-OE1 3.32Å; R407-E618 IonicContact CZ-OE2 3.71Å; R407-E618 IonicContact NH1-OE1 2.88Å; R407-E618 PolarHBondContact NH1-OE1 2.79Å; R407-E618 IonicContact NH1-OE2 3.59Å; R407-E618 PolarHBondContact NH1-OE2 2.84Å; R407-E618 IonicContact NH2-OE1 2.86Å; R407-E618 IonicContact NH2-OE2 3.71Å; R407-E618 PolarHBondContact NH2-OE2 3.47Å
408E89.9Confident86.3Confident65 Ų6546.5 Ų46.530%0.30423%0.234SC..Hα-helixtrans-68.6-44.3178.7-172.8173.7-151.300110.6T406 T411 F412 K622T406-E408 VanDerWaalsContact C-N 3.28Å; T406-E408 PolarHBondContact O-N 3.43Å; E408-T411 WeakPolarHBondContact O-CB 3.45Å; E408-T411 PolarHBondContact O-N 3.4Å; E408-F412 HydrophobicContact CG-CD2 4.1Å; E408-F412 HydrophobicContact CG-CE1 4.48Å; E408-F412 HydrophobicContact CG-CE2 3.51Å; E408-F412 HydrophobicContact CG-CZ 3.71Å; E408-F412 WeakPolarHBondContact O-CG 3.47Å; E408-F412 PolarHBondContact O-N 3Å; E408-K622 IonicContact OE1-NZ 2.66Å; E408-K622 PolarHBondContact OE1-NZ 3.32Å
409E92.4Very high86.8Confident20 Ų2043 Ų439%0.09322%0.215CC..Hα-helixtrans-58.7-50176.7-71.7162.1-174.500111.8E405 T406 T411 F412 R413 L428 Y429 L504E405-E409 WeakPolarHBondContact CA-OE2 3.37Å; E405-E409 HydrophobicContact CG-CB 3.45Å; E405-E409 VanDerWaalsContact CG-CB 3.45Å; T406-E409 PolarHBondContact N-OE2 2.92Å; T406-E409 PolarHBondContact O-N 2.94Å; T406-E409 VanDerWaalsContact OG1-CG 3.23Å; T406-E409 WeakPolarHBondContact OG1-CG 3.28Å; T406-E409 PolarHBondContact OG1-N 2.98Å; T406-E409 PolarHBondContact OG1-OE2 3.5Å; E409-T411 VanDerWaalsContact C-N 3.28Å; E409-T411 PolarHBondContact O-N 3.03Å; E409-F412 PolarHBondContact O-N 3.4Å; E409-F412 VanDerWaalsContact O-N 3.12Å; E409-R413 WeakPolarHBondContact O-CB 3.18Å; E409-R413 PolarHBondContact O-N 3.29Å; E409-L428 HydrophobicContact CB-CD2 4.12Å; E409-L428 HydrophobicContact CG-CD2 3.91Å; E409-Y429 VanDerWaalsContact CD-OH 3.24Å; E409-Y429 HydrophobicContact CG-CE2 4.25Å; E409-Y429 VanDerWaalsContact CG-OH 3.31Å; E409-Y429 WeakPolarHBondContact CG-OH 3.26Å; E409-Y429 VanDerWaalsContact OE1-CE2 3.26Å; E409-Y429 WeakPolarHBondContact OE1-CE2 3.4Å; E409-Y429 VanDerWaalsContact OE1-CZ 3.29Å; E409-Y429 PolarHBondContact OE1-OH 3.31Å; E409-L504 HydrophobicContact CG-CD2 4.03Å
410R91.7Very high87.1Confident89 Ų8941 Ų4134%0.33622%0.215SC..Hα-helixtrans-56.8-43.7177.5-174.5168.870.7-1623.6112.5E405 T406 F412 R413 N414E405-R410 VanDerWaalsContact CD-N 3.33Å; E405-R410 HydrophobicContact CG-CB 4.11Å; E405-R410 VanDerWaalsContact OE1-CA 3.31Å; E405-R410 WeakPolarHBondContact OE1-CA 3.35Å; E405-R410 PolarHBondContact OE1-N 3.26Å; E405-R410 VanDerWaalsContact OE2-CA 3.27Å; E405-R410 WeakPolarHBondContact OE2-CA 3.43Å; E405-R410 WeakPolarHBondContact OE2-CB 3.46Å; E405-R410 WeakPolarHBondContact OE2-CG 3.39Å; T406-R410 PolarHBondContact O-N 3.02Å; R410-F412 VanDerWaalsContact C-N 3.34Å; R410-R413 PolarHBondContact O-N 3.42Å; R410-N414 WeakPolarHBondContact O-CB 3.26Å; R410-N414 VanDerWaalsContact O-CG 3.23Å; R410-N414 PolarHBondContact O-N 3.39Å
411T93.8Very high87.6Confident6 Ų636.8 Ų36.84%0.03719%0.189CC..Hα-helixtrans-62.2-44.9179.1-61.30000110.8R407 E408 E409 W415 M623R407-T411 WeakPolarHBondContact O-CB 3.26Å; R407-T411 PolarHBondContact O-N 2.74Å; R407-T411 VanDerWaalsContact O-N 3.17Å; R407-T411 PolarHBondContact O-OG1 3.08Å; E408-T411 WeakPolarHBondContact O-CB 3.45Å; E408-T411 PolarHBondContact O-N 3.4Å; E409-T411 VanDerWaalsContact C-N 3.28Å; E409-T411 PolarHBondContact O-N 3.03Å; T411-W415 VanDerWaalsContact O-CB 3.29Å; T411-W415 WeakPolarHBondContact O-CB 3.36Å; T411-W415 PolarHBondContact O-N 3.09Å; T411-M623 HydrophobicContact CG2-CE 3.55Å; T411-M623 HydrophobicContact CG2-SD 4.35Å
412F96.1Very high88.1Confident0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-67.6-43.8177.9-70.6-20.3000112.6E408 E409 R410 W415 M416 L504 V507 W508 M511E408-F412 HydrophobicContact CG-CD2 4.1Å; E408-F412 HydrophobicContact CG-CE1 4.48Å; E408-F412 HydrophobicContact CG-CE2 3.51Å; E408-F412 HydrophobicContact CG-CZ 3.71Å; E408-F412 WeakPolarHBondContact O-CG 3.47Å; E408-F412 PolarHBondContact O-N 3Å; E409-F412 PolarHBondContact O-N 3.4Å; E409-F412 VanDerWaalsContact O-N 3.12Å; R410-F412 VanDerWaalsContact C-N 3.34Å; F412-W415 PolarHBondContact O-N 3.32Å; F412-M416 VanDerWaalsContact C-CE 3.44Å; F412-M416 HydrophobicContact CB-CE 3.87Å; F412-M416 WeakPolarHBondContact O-CE 3.29Å; F412-M416 WeakPolarHBondContact O-CG 3.24Å; F412-M416 PolarHBondContact O-N 2.9Å; F412-L504 HydrophobicContact CD2-CD2 3.56Å; F412-L504 HydrophobicContact CE2-CB 4.5Å; F412-L504 HydrophobicContact CE2-CD2 3.78Å; F412-V507 HydrophobicContact CB-CG1 3.71Å; F412-V507 HydrophobicContact CD1-CG1 4.14Å; F412-V507 HydrophobicContact CD2-CB 4.23Å; F412-V507 HydrophobicContact CD2-CG1 3.66Å; F412-V507 HydrophobicContact CE2-CG1 4.3Å; F412-V507 HydrophobicContact CG-CG1 3.58Å; F412-W508 HydrophobicContact CE1-CE3 4.17Å; F412-W508 HydrophobicContact CE2-CB 4.4Å; F412-W508 HydrophobicContact CZ-CB 3.88Å; F412-W508 HydrophobicContact CZ-CE3 4.13Å; F412-M511 HydrophobicContact CD1-SD 3.68Å; F412-M511 HydrophobicContact CE1-SD 3.58Å; F412-M511 VanDerWaalsContact CE1-SD 3.58Å
413R95.3Very high88.7Confident49 Ų4941.4 Ų41.419%0.18522%0.218CC..Hα-helixtrans-58-50.6175.2179.5177.357.778.7-2111.3E405 E409 R410 W415 M416 N417 V425 N426E405-R413 WeakPolarHBondContact OE1-CD 3.44Å; E405-R413 IonicContact OE1-CZ 2.99Å; E405-R413 IonicContact OE1-NE 2.83Å; E405-R413 PolarHBondContact OE1-NE 2.99Å; E405-R413 IonicContact OE1-NH2 2.89Å; E405-R413 IonicContact OE2-CZ 2.8Å; E405-R413 IonicContact OE2-NE 2.86Å; E405-R413 PolarHBondContact OE2-NE 3.04Å; E405-R413 IonicContact OE2-NH2 3.51Å; E405-R413 PolarHBondContact OE2-NH2 3.32Å; E409-R413 WeakPolarHBondContact O-CB 3.18Å; E409-R413 PolarHBondContact O-N 3.29Å; R410-R413 PolarHBondContact O-N 3.42Å; R413-W415 VanDerWaalsContact C-N 3.33Å; R413-W415 PolarHBondContact O-N 2.84Å; R413-M416 PolarHBondContact O-N 3.47Å; R413-N417 WeakPolarHBondContact O-CB 3.49Å; R413-N417 PolarHBondContact O-N 2.84Å; R413-N417 PolarHBondContact O-ND2 2.85Å; R413-V425 VanDerWaalsContact CD-O 3.31Å; R413-V425 WeakPolarHBondContact CD-O 3.43Å; R413-V425 HydrophobicContact CG-CB 4.19Å; R413-V425 HydrophobicContact CG-CG1 3.97Å; R413-V425 VanDerWaalsContact CG-O 3.29Å; R413-V425 WeakPolarHBondContact CG-O 3.3Å; R413-N426 VanDerWaalsContact CD-O 3.24Å; R413-N426 WeakPolarHBondContact CD-O 3.27Å
414N95.2Very high89.4Confident17 Ų1737.8 Ų37.89%0.09120%0.2CC..Hα-helixtrans-61.6-42.1177.9-71.1-4.8000111.8A206 I207 G208 R410 N417 S418A206-N414 WeakPolarHBondContact O-CB 3.39Å; A206-N414 PolarHBondContact O-ND2 3.16Å; I207-N414 PolarHBondContact O-OD1 3.22Å; G208-N414 WeakPolarHBondContact CA-O 3.49Å; R410-N414 WeakPolarHBondContact O-CB 3.26Å; R410-N414 VanDerWaalsContact O-CG 3.23Å; R410-N414 PolarHBondContact O-N 3.39Å; N414-N417 PolarHBondContact O-N 3.19Å; N414-S418 VanDerWaalsContact O-CB 3.3Å; N414-S418 WeakPolarHBondContact O-CB 3.19Å; N414-S418 PolarHBondContact O-N 3.41Å; N414-S418 PolarHBondContact O-OG 3.12Å
415W95.4Very high90.2Very high1 Ų136 Ų360%0.00418%0.183CC..Hα-helixtrans-58.1-49.5174.1168.163.4000111.6T411 F412 R413 S418 L419 L441 V507 L510 M511 Y514 Y610T411-W415 VanDerWaalsContact O-CB 3.29Å; T411-W415 WeakPolarHBondContact O-CB 3.36Å; T411-W415 PolarHBondContact O-N 3.09Å; F412-W415 PolarHBondContact O-N 3.32Å; R413-W415 VanDerWaalsContact C-N 3.33Å; R413-W415 PolarHBondContact O-N 2.84Å; W415-S418 PolarHBondContact O-N 3.47Å; W415-S418 PolarHBondContact O-OG 2.94Å; W415-L419 HydrophobicContact CZ2-CD1 3.85Å; W415-L419 WeakPolarHBondContact O-CG 3.31Å; W415-L419 PolarHBondContact O-N 3.03Å; W415-L441 HydrophobicContact CH2-CD1 4.36Å; W415-L441 HydrophobicContact CH2-CD2 4.25Å; W415-L441 HydrophobicContact CZ3-CD1 4.25Å; W415-V507 HydrophobicContact CE3-CG1 4.47Å; W415-V507 HydrophobicContact CZ3-CG1 4.1Å; W415-L510 HydrophobicContact CH2-CB 3.83Å; W415-L510 HydrophobicContact CZ3-CB 4.36Å; W415-M511 HydrophobicContact CB-CE 4.48Å; W415-M511 HydrophobicContact CD2-CB 4.08Å; W415-M511 HydrophobicContact CD2-CG 3.87Å; W415-M511 HydrophobicContact CD2-SD 4.37Å; W415-M511 HydrophobicContact CE3-CB 3.9Å; W415-M511 HydrophobicContact CE3-CG 4.15Å; W415-M511 HydrophobicContact CG-CE 4.31Å; W415-M511 HydrophobicContact CG-CG 4.3Å; W415-M511 HydrophobicContact CG-SD 4.43Å; W415-M511 VanDerWaalsContact CH2-CA 3.49Å; W415-M511 HydrophobicContact CH2-CB 3.84Å; W415-M511 HydrophobicContact CZ2-CB 4Å; W415-M511 HydrophobicContact CZ2-CG 4.29Å; W415-M511 HydrophobicContact CZ3-CB 3.77Å; W415-M511 HydrophobicContact CZ3-CG 4.48Å; W415-Y514 HydrophobicContact CZ2-CD1 4.32Å; W415-Y514 AromaticContact CZ2-CG 4Å; W415-Y514 HydrophobicContact CZ2-CG 4Å; W415-Y514 AromaticContact NE1-CD1 3.42Å; W415-Y514 AromaticContact NE1-CE1 3.71Å; W415-Y514 AromaticContact NE1-CG 3.92Å; W415-Y610 HydrophobicContact CB-CD1 4.03Å; W415-Y610 HydrophobicContact CB-CE1 4.1Å; W415-Y610 HydrophobicContact CB-CG 4.36Å; W415-Y610 AromaticContact CD1-CE2 3.84Å; W415-Y610 AromaticContact CD1-CZ 3.97Å
416M95.3Very high90.4Very high0 Ų035.6 Ų35.60%018%0.182CC..Hα-helixtrans-60.7-48.7178.4-71.9-178.8-97.300112.3F412 R413 S418 L419 V421 L428 L432 V437 L441 V507F412-M416 VanDerWaalsContact C-CE 3.44Å; F412-M416 HydrophobicContact CB-CE 3.87Å; F412-M416 WeakPolarHBondContact O-CE 3.29Å; F412-M416 WeakPolarHBondContact O-CG 3.24Å; F412-M416 PolarHBondContact O-N 2.9Å; R413-M416 PolarHBondContact O-N 3.47Å; M416-S418 VanDerWaalsContact C-N 3.3Å; M416-S418 PolarHBondContact O-N 3.25Å; M416-L419 WeakPolarHBondContact O-CB 3.4Å; M416-L419 PolarHBondContact O-N 3.48Å; M416-L419 VanDerWaalsContact O-N 3.08Å; M416-V421 HydrophobicContact CB-CG2 4.28Å; M416-L428 HydrophobicContact CE-CD1 3.23Å; M416-L428 HydrophobicContact SD-CD1 4.47Å; M416-L432 HydrophobicContact CE-CD1 4.49Å; M416-L432 HydrophobicContact SD-CD1 4.42Å; M416-L432 HydrophobicContact SD-CD2 4.28Å; M416-V437 HydrophobicContact SD-CG1 4.09Å; M416-L441 HydrophobicContact CG-CD1 3.64Å; M416-L441 HydrophobicContact CG-CD2 4.09Å; M416-L441 HydrophobicContact CG-CG 4.46Å; M416-L441 HydrophobicContact SD-CD1 3.66Å; M416-V507 HydrophobicContact CE-CG1 3.76Å; M416-V507 HydrophobicContact CE-CG2 4.43Å; M416-V507 HydrophobicContact SD-CG1 4.5Å
417N93.1Very high90.4Very high4 Ų434.8 Ų34.82%0.02117%0.173CC..Hα-helixtrans-63.1-36.8-179.5-72.9-28000112.4R413 N414 L419 G420 H424 V425R413-N417 WeakPolarHBondContact O-CB 3.49Å; R413-N417 PolarHBondContact O-N 2.84Å; R413-N417 PolarHBondContact O-ND2 2.85Å; N414-N417 PolarHBondContact O-N 3.19Å; N417-L419 PolarHBondContact O-N 2.95Å; N417-G420 PolarHBondContact O-N 3.01Å; N417-H424 PolarHBondContact ND2-CE1 3.21Å; N417-H424 PolarHBondContact ND2-NE2 3.34Å; N417-H424 PolarHBondContact OD1-ND1 3.36Å; N417-V425 PolarHBondContact ND2-O 3.4Å; N417-V425 PolarHBondContact OD1-N 2.94Å
418S91.3Very high90.6Very high2 Ų232.3 Ų32.31%0.01417%0.165CC..Hα-helixtrans-62-27.7175.878.30000113.4S205 C209 H210 N414 W415 M416 G420 Y610S205-S418 WeakPolarHBondContact O-CB 3.33Å; S205-S418 WeakPolarHBondContact OG-CB 3.46Å; C209-S418 WeakPolarHBondContact O-CA 3.32Å; H210-S418 PolarHBondContact ND1-O 3.01Å; N414-S418 VanDerWaalsContact O-CB 3.3Å; N414-S418 WeakPolarHBondContact O-CB 3.19Å; N414-S418 PolarHBondContact O-N 3.41Å; N414-S418 PolarHBondContact O-OG 3.12Å; W415-S418 PolarHBondContact O-N 3.47Å; W415-S418 PolarHBondContact O-OG 2.94Å; M416-S418 VanDerWaalsContact C-N 3.3Å; M416-S418 PolarHBondContact O-N 3.25Å; S418-G420 PolarHBondContact O-N 2.88Å; S418-Y610 PolarHBondContact OG-OH 3.18Å
419L88.6Confident90.7Very high6 Ų631 Ų313%0.03116%0.157CC..THydrogen-bonded Turntrans-78.2-5.9175.3-60.9178.4000112.7W415 M416 N417 L441 R444 Y514W415-L419 HydrophobicContact CZ2-CD1 3.85Å; W415-L419 WeakPolarHBondContact O-CG 3.31Å; W415-L419 PolarHBondContact O-N 3.03Å; M416-L419 WeakPolarHBondContact O-CB 3.4Å; M416-L419 PolarHBondContact O-N 3.48Å; M416-L419 VanDerWaalsContact O-N 3.08Å; N417-L419 PolarHBondContact O-N 2.95Å; L419-L441 HydrophobicContact CD1-CD2 3.71Å; L419-R444 HydrophobicContact CB-CG 4.47Å; L419-R444 HydrophobicContact CD1-CB 4.33Å; L419-R444 HydrophobicContact CD1-CG 4.3Å; L419-R444 PolarHBondContact O-NH2 2.86Å; L419-Y514 HydrophobicContact CD1-CD2 4.46Å; L419-Y514 HydrophobicContact CD1-CE2 4.33Å; L419-Y514 HydrophobicContact CD2-CE2 3.77Å
420G85.4Confident90.6Very high26 Ų2631.4 Ų31.427%0.26816%0.164SC..THydrogen-bonded Turntrans73.245.317800000112.7H210 N417 S418H210-G420 WeakPolarHBondContact ND1-CA 3.22Å; H210-G420 PolarHBondContact ND1-N 3.34Å; H210-G420 VanDerWaalsContact ND1-N 3.17Å; N417-G420 PolarHBondContact O-N 3.01Å; S418-G420 PolarHBondContact O-N 2.88Å
421V86.7Confident90.6Very high12 Ų1229 Ų297%0.07316%0.158CC..  trans-69.6150.6171.1-62.50000110.7M416 P423 V425 V437 Q440 L441M416-V421 HydrophobicContact CB-CG2 4.28Å; V421-P423 CarbonylContact C-O 3.54Å; V421-V425 HydrophobicContact CG2-CG2 4.01Å; V421-V437 HydrophobicContact CB-CG1 3.99Å; V421-V437 HydrophobicContact CB-CG2 4.48Å; V421-V437 HydrophobicContact CG1-CG1 4.02Å; V421-V437 HydrophobicContact CG2-CG1 3.99Å; V421-Q440 HydrophobicContact CG1-CB 4.44Å; V421-L441 HydrophobicContact CG1-CD2 3.84Å; V421-L441 HydrophobicContact CG1-CG 4.29Å
422N81.9Confident90.7Very high125 Ų12528.9 Ų28.967%0.66816%0.157SC*.SBendtrans-136.2119.4178.7-178.927.7000110.5Q440N422-Q440 PolarHBondContact O-NE2 3.32Å
423P85Confident90.7Very high58 Ų5831.2 Ų31.238%0.37717%0.168SC..SBendcis-68162.36.229.6-35.8000113.7V421V421-P423 CarbonylContact C-O 3.54Å
424H85.1Confident90.7Very high96 Ų9629.9 Ų29.944%0.44416%0.164SC..  trans-64.8138.5171.1-17283.3000109.5N417 N426N417-H424 PolarHBondContact ND2-CE1 3.21Å; N417-H424 PolarHBondContact ND2-NE2 3.34Å; N417-H424 PolarHBondContact OD1-ND1 3.36Å; H424-N426 PolarHBondContact O-N 3.01Å
425V91.6Very high90.9Very high0 Ų029.1 Ų29.10%016%0.16CC..  trans-88110.9179.4-175.80000108.7R413 N417 V421 D431 V437R413-V425 VanDerWaalsContact CD-O 3.31Å; R413-V425 WeakPolarHBondContact CD-O 3.43Å; R413-V425 HydrophobicContact CG-CB 4.19Å; R413-V425 HydrophobicContact CG-CG1 3.97Å; R413-V425 VanDerWaalsContact CG-O 3.29Å; R413-V425 WeakPolarHBondContact CG-O 3.3Å; N417-V425 PolarHBondContact ND2-O 3.4Å; N417-V425 PolarHBondContact OD1-N 2.94Å; V421-V425 HydrophobicContact CG2-CG2 4.01Å; V425-D431 HydrophobicContact CG1-CB 4.23Å; V425-V437 HydrophobicContact CG2-CG1 3.89Å; V425-V437 HydrophobicContact CG2-CG2 4.08Å
426N88.1Confident90.9Very high46 Ų4629.7 Ų29.725%0.24616%0.163CC..SBendtrans-96.1-46.5170.2-57.4-73.2000109.8R413 H424 D431R413-N426 VanDerWaalsContact CD-O 3.24Å; R413-N426 WeakPolarHBondContact CD-O 3.27Å; H424-N426 PolarHBondContact O-N 3.01Å; N426-D431 PolarHBondContact N-OD2 3.46Å
427H88.6Confident91Very high49 Ų4929.7 Ų29.723%0.22716%0.163CC..SBendtrans-123.6101.5-173.5-62.1-61.9000110M265 K266 L267 Y429 A430 D431M265-H427 PolarHBondContact O-CD2 3.07Å; M265-H427 PolarHBondContact O-CE1 2.53Å; M265-H427 PolarHBondContact O-NE2 2.79Å; K266-H427 PolarHBondContact O-CD2 3.14Å; L267-H427 PolarHBondContact O-NE2 2.89Å; H427-Y429 VanDerWaalsContact C-N 3.28Å; H427-Y429 PolarHBondContact O-N 3.28Å; H427-Y429 VanDerWaalsContact O-N 3.09Å; H427-A430 HydrophobicContact CB-CB 4.06Å; H427-A430 PolarHBondContact O-N 3.26Å; H427-A430 VanDerWaalsContact O-N 3.08Å; H427-D431 PolarHBondContact N-OD2 2.8Å; H427-D431 WeakPolarHBondContact O-CB 3.44Å; H427-D431 PolarHBondContact O-N 2.89Å
428L92.1Very high91.2Very high8 Ų829.5 Ų29.54%0.04216%0.162CC..Hα-helixtrans-48.5-46.5-168.7-17865.3000113.8E409 M416 L432 L504E409-L428 HydrophobicContact CB-CD2 4.12Å; E409-L428 HydrophobicContact CG-CD2 3.91Å; M416-L428 HydrophobicContact CE-CD1 3.23Å; M416-L428 HydrophobicContact SD-CD1 4.47Å; L428-L432 HydrophobicContact CD1-CD1 3.53Å; L428-L432 HydrophobicContact CD1-CG 4.3Å; L428-L432 HydrophobicContact CG-CD1 4.24Å; L428-L432 WeakPolarHBondContact O-CB 3.43Å; L428-L432 WeakPolarHBondContact O-CD1 3.35Å; L428-L432 WeakPolarHBondContact O-CG 3.32Å; L428-L504 HydrophobicContact CD2-CD2 3.62Å
429Y92.1Very high91.6Very high37 Ų3729.4 Ų29.415%0.14516%0.162CC..Hα-helixtrans-84.1-20.9-173.6-53.9-58.7000114.2E409 H427 Q433 Q500 T503 L504E409-Y429 VanDerWaalsContact CD-OH 3.24Å; E409-Y429 HydrophobicContact CG-CE2 4.25Å; E409-Y429 VanDerWaalsContact CG-OH 3.31Å; E409-Y429 WeakPolarHBondContact CG-OH 3.26Å; E409-Y429 VanDerWaalsContact OE1-CE2 3.26Å; E409-Y429 WeakPolarHBondContact OE1-CE2 3.4Å; E409-Y429 VanDerWaalsContact OE1-CZ 3.29Å; E409-Y429 PolarHBondContact OE1-OH 3.31Å; H427-Y429 VanDerWaalsContact C-N 3.28Å; H427-Y429 PolarHBondContact O-N 3.28Å; H427-Y429 VanDerWaalsContact O-N 3.09Å; Y429-Q433 WeakPolarHBondContact O-CG 3.48Å; Y429-Q500 HydrophobicContact CD1-CB 4.36Å; Y429-Q500 HydrophobicContact CD1-CG 4.21Å; Y429-Q500 HydrophobicContact CD2-CG 3.84Å; Y429-Q500 HydrophobicContact CE1-CB 3.81Å; Y429-Q500 HydrophobicContact CE1-CG 4.02Å; Y429-Q500 HydrophobicContact CE2-CB 4.11Å; Y429-Q500 HydrophobicContact CE2-CG 3.6Å; Y429-Q500 HydrophobicContact CG-CG 4.12Å; Y429-T503 HydrophobicContact CD1-CG2 4.11Å; Y429-T503 HydrophobicContact CE1-CG2 4.36Å; Y429-L504 HydrophobicContact CE1-CD2 4.45Å; Y429-L504 HydrophobicContact CE1-CG 4.17Å; Y429-L504 VanDerWaalsContact OH-CD1 3.31Å; Y429-L504 WeakPolarHBondContact OH-CD1 3.4Å; Y429-L504 WeakPolarHBondContact OH-CG 3.43Å
430A90Very high91.9Very high28 Ų2830.6 Ų30.623%0.23117%0.167CC..Hα-helixtrans-87.1-43.3176.700000111K266 H427 L432 Q433K266-A430 HydrophobicContact CG-CB 4.18Å; H427-A430 HydrophobicContact CB-CB 4.06Å; H427-A430 PolarHBondContact O-N 3.26Å; H427-A430 VanDerWaalsContact O-N 3.08Å; A430-L432 VanDerWaalsContact C-N 3.27Å; A430-L432 PolarHBondContact O-N 3.07Å; A430-Q433 WeakPolarHBondContact O-CG 3.43Å; A430-Q433 PolarHBondContact O-N 2.59Å
431D92.3Very high92.4Very high39 Ų3929.4 Ų29.421%0.20916%0.155CC..Hα-helixtrans-77.4-13.5-173.2-65.5-23.1000113.1V425 N426 H427V425-D431 HydrophobicContact CG1-CB 4.23Å; N426-D431 PolarHBondContact N-OD2 3.46Å; H427-D431 PolarHBondContact N-OD2 2.8Å; H427-D431 WeakPolarHBondContact O-CB 3.44Å; H427-D431 PolarHBondContact O-N 2.89Å
432L96.5Very high92.9Very high3 Ų328.9 Ų28.92%0.01615%0.151CC..THydrogen-bonded Turntrans-96-3.4176.2-61.8-174.9000114.1M416 L428 A430 D434 A435 V437 I438 T503 V507M416-L432 HydrophobicContact CE-CD1 4.49Å; M416-L432 HydrophobicContact SD-CD1 4.42Å; M416-L432 HydrophobicContact SD-CD2 4.28Å; L428-L432 HydrophobicContact CD1-CD1 3.53Å; L428-L432 HydrophobicContact CD1-CG 4.3Å; L428-L432 HydrophobicContact CG-CD1 4.24Å; L428-L432 WeakPolarHBondContact O-CB 3.43Å; L428-L432 WeakPolarHBondContact O-CD1 3.35Å; L428-L432 WeakPolarHBondContact O-CG 3.32Å; A430-L432 VanDerWaalsContact C-N 3.27Å; A430-L432 PolarHBondContact O-N 3.07Å; L432-D434 PolarHBondContact O-N 3.42Å; L432-D434 VanDerWaalsContact O-N 3.16Å; L432-A435 PolarHBondContact O-N 3.34Å; L432-V437 HydrophobicContact CD2-CB 3.5Å; L432-V437 VanDerWaalsContact CD2-CB 3.5Å; L432-V437 HydrophobicContact CD2-CG1 3.51Å; L432-V437 HydrophobicContact CD2-CG2 4.27Å; L432-I438 HydrophobicContact CB-CD1 4.29Å; L432-I438 HydrophobicContact CB-CG1 4.5Å; L432-I438 HydrophobicContact CD2-CG1 4.11Å; L432-T503 HydrophobicContact CD1-CG2 3.76Å; L432-V507 HydrophobicContact CD1-CG2 3.9Å
433Q95.7Very high93.3Very high49 Ų4927.2 Ų27.223%0.22914%0.14CC..THydrogen-bonded Turntrans-67.9-14.6-172.6-67.2-173.6-34.200115.1Y429 A430 C472 N496Y429-Q433 WeakPolarHBondContact O-CG 3.48Å; A430-Q433 WeakPolarHBondContact O-CG 3.43Å; A430-Q433 PolarHBondContact O-N 2.59Å; Q433-C472 PolarHBondContact O-SG 3.27Å; Q433-N496 WeakPolarHBondContact CB-O 3.37Å; Q433-N496 WeakPolarHBondContact CG-O 3.2Å; Q433-N496 PolarHBondContact NE2-O 3.09Å; Q433-N496 PolarHBondContact O-ND2 3.27Å
434D95.7Very high93.6Very high22 Ų2229.4 Ų29.412%0.11814%0.14CC..THydrogen-bonded Turntrans-105.43.9173.9729.9000113.4L432 L436 Y459 K468 N471L432-D434 PolarHBondContact O-N 3.42Å; L432-D434 VanDerWaalsContact O-N 3.16Å; D434-L436 PolarHBondContact O-N 3.23Å; D434-L436 WeakPolarHBondContact OD1-CB 3.38Å; D434-L436 WeakPolarHBondContact OD1-CG 3.21Å; D434-L436 PolarHBondContact OD1-N 2.81Å; D434-L436 WeakPolarHBondContact OD2-CD1 3.45Å; D434-Y459 HydrophobicContact CB-CE2 4.31Å; D434-Y459 PolarHBondContact OD2-OH 3.37Å; D434-K468 HydrophobicContact CB-CB 4.11Å; D434-K468 HydrophobicContact CB-CD 4.03Å; D434-K468 HydrophobicContact CB-CG 3.68Å; D434-N471 WeakPolarHBondContact O-CB 3.38Å; D434-N471 PolarHBondContact O-ND2 3.4Å
435A97.9Very high93.8Very high0 Ų025 Ų250%012%0.12CC..  trans559.5-177.800000116.6L432 V437 I438 L439 N471 C472 A475L432-A435 PolarHBondContact O-N 3.34Å; A435-V437 VanDerWaalsContact C-N 3.33Å; A435-V437 PolarHBondContact O-N 3.32Å; A435-I438 HydrophobicContact CB-CB 4.31Å; A435-I438 HydrophobicContact CB-CD1 4.31Å; A435-I438 PolarHBondContact O-N 3.08Å; A435-L439 WeakPolarHBondContact O-CB 3.31Å; A435-L439 WeakPolarHBondContact O-CG 3.37Å; A435-L439 PolarHBondContact O-N 2.86Å; A435-N471 HydrophobicContact CB-CB 4.24Å; A435-C472 HydrophobicContact CB-CB 4.43Å; A435-A475 HydrophobicContact CB-CB 3.8Å
436L96.4Very high93.7Very high13 Ų1331 Ų317%0.06815%0.146CC..Hα-helixtrans-62.5-40.2-178.4-70.5-179000112.7D434 Q440 V454 P457D434-L436 PolarHBondContact O-N 3.23Å; D434-L436 WeakPolarHBondContact OD1-CB 3.38Å; D434-L436 WeakPolarHBondContact OD1-CG 3.21Å; D434-L436 PolarHBondContact OD1-N 2.81Å; D434-L436 WeakPolarHBondContact OD2-CD1 3.45Å; L436-Q440 WeakPolarHBondContact O-CG 3.3Å; L436-Q440 PolarHBondContact O-N 2.94Å; L436-Q440 VanDerWaalsContact O-N 3.12Å; L436-Q440 PolarHBondContact O-NE2 3.49Å; L436-V454 HydrophobicContact CD2-CG1 3.44Å; L436-V454 VanDerWaalsContact CD2-CG1 3.44Å; L436-P457 HydrophobicContact CD1-CG 4.27Å
437V96.6Very high94Very high0 Ų029.3 Ų29.30%014%0.137CC..Hα-helixtrans-67-44.5174.9171.60000110.4M416 V421 V425 L432 A435 L439 Q440 L441M416-V437 HydrophobicContact SD-CG1 4.09Å; V421-V437 HydrophobicContact CB-CG1 3.99Å; V421-V437 HydrophobicContact CB-CG2 4.48Å; V421-V437 HydrophobicContact CG1-CG1 4.02Å; V421-V437 HydrophobicContact CG2-CG1 3.99Å; V425-V437 HydrophobicContact CG2-CG1 3.89Å; V425-V437 HydrophobicContact CG2-CG2 4.08Å; L432-V437 HydrophobicContact CD2-CB 3.5Å; L432-V437 VanDerWaalsContact CD2-CB 3.5Å; L432-V437 HydrophobicContact CD2-CG1 3.51Å; L432-V437 HydrophobicContact CD2-CG2 4.27Å; A435-V437 VanDerWaalsContact C-N 3.33Å; A435-V437 PolarHBondContact O-N 3.32Å; V437-L439 VanDerWaalsContact C-N 3.28Å; V437-L439 PolarHBondContact O-N 3.4Å; V437-Q440 WeakPolarHBondContact O-CB 3.48Å; V437-Q440 PolarHBondContact O-N 3.47Å; V437-Q440 VanDerWaalsContact O-N 3.15Å; V437-L441 HydrophobicContact CG1-CD1 4.27Å; V437-L441 WeakPolarHBondContact O-CG 3.4Å; V437-L441 PolarHBondContact O-N 3.29Å
438I98.4Very high94.2Very high1 Ų131.8 Ų31.81%0.00516%0.158CC..Hα-helixtrans-57.7-43.5177.5-61176.4000110.7L432 A435 L441 Y442 A475 L495 L506 L510L432-I438 HydrophobicContact CB-CD1 4.29Å; L432-I438 HydrophobicContact CB-CG1 4.5Å; L432-I438 HydrophobicContact CD2-CG1 4.11Å; A435-I438 HydrophobicContact CB-CB 4.31Å; A435-I438 HydrophobicContact CB-CD1 4.31Å; A435-I438 PolarHBondContact O-N 3.08Å; I438-L441 WeakPolarHBondContact O-CB 3.3Å; I438-L441 PolarHBondContact O-N 2.96Å; I438-Y442 HydrophobicContact CG2-CD2 4.24Å; I438-Y442 HydrophobicContact CG2-CE2 3.76Å; I438-Y442 WeakPolarHBondContact O-CD2 3.36Å; I438-Y442 PolarHBondContact O-N 3.38Å; I438-Y442 VanDerWaalsContact O-N 3.09Å; I438-A475 HydrophobicContact CG2-CB 3.97Å; I438-L495 HydrophobicContact CD1-CD1 4.17Å; I438-L506 HydrophobicContact CD1-CD2 4.12Å; I438-L506 HydrophobicContact CG2-CD2 4.15Å; I438-L510 HydrophobicContact CG2-CD1 4.09Å
439L98.1Very high94.4Very high0 Ų032.3 Ų32.30%016%0.161CC..Hα-helixtrans-63.3-42.4177.2-68.3166.2000111.9A435 V437 L441 Y442 V449 W451 V454 N471 Y474 A475 L478A435-L439 WeakPolarHBondContact O-CB 3.31Å; A435-L439 WeakPolarHBondContact O-CG 3.37Å; A435-L439 PolarHBondContact O-N 2.86Å; V437-L439 VanDerWaalsContact C-N 3.28Å; V437-L439 PolarHBondContact O-N 3.4Å; L439-L441 VanDerWaalsContact C-N 3.3Å; L439-L441 PolarHBondContact O-N 2.93Å; L439-Y442 HydrophobicContact CD2-CD2 4.44Å; L439-Y442 WeakPolarHBondContact O-CB 3.46Å; L439-Y442 PolarHBondContact O-N 3.33Å; L439-V449 HydrophobicContact CB-CG1 4.31Å; L439-V449 HydrophobicContact CD2-CG1 4.04Å; L439-V449 WeakPolarHBondContact O-CG2 3.4Å; L439-W451 HydrophobicContact CB-CH2 3.95Å; L439-W451 HydrophobicContact CB-CZ3 4.37Å; L439-V454 HydrophobicContact CD1-CB 4.4Å; L439-V454 HydrophobicContact CD1-CG1 3.7Å; L439-V454 HydrophobicContact CD1-CG2 3.76Å; L439-N471 HydrophobicContact CD1-CB 4.45Å; L439-Y474 HydrophobicContact CD2-CD1 3.85Å; L439-Y474 HydrophobicContact CD2-CE1 4.08Å; L439-A475 HydrophobicContact CD2-CB 4.14Å; L439-A475 HydrophobicContact CG-CB 4.43Å; L439-L478 HydrophobicContact CD2-CD1 3.76Å
440Q95.4Very high94.6Very high31 Ų3133.6 Ų33.615%0.14517%0.17CC..Hα-helixtrans-60.6-39.4172.3-73.1165.174.400112.3V421 N422 L436 V437 Y442 E443 R444 W451V421-Q440 HydrophobicContact CG1-CB 4.44Å; N422-Q440 PolarHBondContact O-NE2 3.32Å; L436-Q440 WeakPolarHBondContact O-CG 3.3Å; L436-Q440 PolarHBondContact O-N 2.94Å; L436-Q440 VanDerWaalsContact O-N 3.12Å; L436-Q440 PolarHBondContact O-NE2 3.49Å; V437-Q440 WeakPolarHBondContact O-CB 3.48Å; V437-Q440 PolarHBondContact O-N 3.47Å; V437-Q440 VanDerWaalsContact O-N 3.15Å; Q440-Y442 VanDerWaalsContact C-N 3.29Å; Q440-Y442 PolarHBondContact O-N 3.48Å; Q440-E443 WeakPolarHBondContact O-CB 3.28Å; Q440-E443 PolarHBondContact O-N 3.24Å; Q440-R444 WeakPolarHBondContact O-CG 3.36Å; Q440-R444 PolarHBondContact O-N 3.27Å; Q440-W451 HydrophobicContact CG-CH2 3.86Å; Q440-W451 HydrophobicContact CG-CZ2 4.16Å
441L96.1Very high94.8Very high1 Ų135.8 Ų35.81%0.00517%0.173CC..Hα-helixtrans-64.8-33.1178.3-64.4170.7000112.2W415 M416 L419 V421 V437 I438 L439 E443 R444 I445 L510W415-L441 HydrophobicContact CH2-CD1 4.36Å; W415-L441 HydrophobicContact CH2-CD2 4.25Å; W415-L441 HydrophobicContact CZ3-CD1 4.25Å; M416-L441 HydrophobicContact CG-CD1 3.64Å; M416-L441 HydrophobicContact CG-CD2 4.09Å; M416-L441 HydrophobicContact CG-CG 4.46Å; M416-L441 HydrophobicContact SD-CD1 3.66Å; L419-L441 HydrophobicContact CD1-CD2 3.71Å; V421-L441 HydrophobicContact CG1-CD2 3.84Å; V421-L441 HydrophobicContact CG1-CG 4.29Å; V437-L441 HydrophobicContact CG1-CD1 4.27Å; V437-L441 WeakPolarHBondContact O-CG 3.4Å; V437-L441 PolarHBondContact O-N 3.29Å; I438-L441 WeakPolarHBondContact O-CB 3.3Å; I438-L441 PolarHBondContact O-N 2.96Å; L439-L441 VanDerWaalsContact C-N 3.3Å; L439-L441 PolarHBondContact O-N 2.93Å; L441-E443 VanDerWaalsContact C-N 3.3Å; L441-E443 PolarHBondContact O-N 2.95Å; L441-R444 WeakPolarHBondContact O-CB 3.25Å; L441-R444 PolarHBondContact O-N 2.85Å; L441-R444 VanDerWaalsContact O-N 3.11Å; L441-I445 WeakPolarHBondContact O-CG1 2.87Å; L441-I445 PolarHBondContact O-N 3.15Å; L441-I445 VanDerWaalsContact O-N 3.12Å; L441-L510 HydrophobicContact CB-CD1 4.36Å; L441-L510 HydrophobicContact CD1-CD1 4.17Å
442Y96.6Very high94.9Very high0 Ų038.8 Ų38.80%020%0.197CC..Hα-helixtrans-57.5-43172.8-81.7-60.2000111.9I438 L439 Q440 R444 I445 K446 V447 A475 L478 G479 A483 F485 L510I438-Y442 HydrophobicContact CG2-CD2 4.24Å; I438-Y442 HydrophobicContact CG2-CE2 3.76Å; I438-Y442 WeakPolarHBondContact O-CD2 3.36Å; I438-Y442 PolarHBondContact O-N 3.38Å; I438-Y442 VanDerWaalsContact O-N 3.09Å; L439-Y442 HydrophobicContact CD2-CD2 4.44Å; L439-Y442 WeakPolarHBondContact O-CB 3.46Å; L439-Y442 PolarHBondContact O-N 3.33Å; Q440-Y442 VanDerWaalsContact C-N 3.29Å; Q440-Y442 PolarHBondContact O-N 3.48Å; Y442-R444 VanDerWaalsContact C-N 3.31Å; Y442-R444 PolarHBondContact O-N 3.31Å; Y442-I445 HydrophobicContact CD1-CD1 3.98Å; Y442-I445 HydrophobicContact CD1-CG1 4.4Å; Y442-I445 HydrophobicContact CE1-CD1 4.44Å; Y442-I445 CarbonylContact O-C 3.58Å; Y442-I445 WeakPolarHBondContact O-CG1 2.78Å; Y442-I445 PolarHBondContact O-N 2.89Å; Y442-I445 VanDerWaalsContact O-N 3.11Å; Y442-K446 PolarHBondContact O-N 3Å; Y442-V447 CarbonylContact C-O 3.55Å; Y442-V447 VanDerWaalsContact C-O 3.3Å; Y442-V447 HydrophobicContact CD1-CB 3.8Å; Y442-V447 HydrophobicContact CD1-CG1 3.71Å; Y442-V447 HydrophobicContact CD1-CG2 4.13Å; Y442-V447 HydrophobicContact CG-CB 4.3Å; Y442-V447 HydrophobicContact CG-CG1 4.13Å; Y442-V447 WeakPolarHBondContact O-CB 3.42Å; Y442-V447 PolarHBondContact O-N 3.18Å; Y442-A475 HydrophobicContact CE2-CB 4.25Å; Y442-A475 VanDerWaalsContact CE2-O 3.3Å; Y442-A475 WeakPolarHBondContact CE2-O 3.47Å; Y442-A475 PolarHBondContact OH-O 2.91Å; Y442-L478 HydrophobicContact CD2-CB 4.18Å; Y442-L478 HydrophobicContact CD2-CD1 4.05Å; Y442-L478 HydrophobicContact CE1-CB 4.33Å; Y442-L478 HydrophobicContact CE2-CB 3.93Å; Y442-L478 HydrophobicContact CE2-CD1 4.46Å; Y442-L478 HydrophobicContact CG-CB 4.49Å; Y442-L478 HydrophobicContact CG-CD1 4.46Å; Y442-G479 WeakPolarHBondContact OH-CA 3.45Å; Y442-G479 PolarHBondContact OH-N 3.36Å; Y442-G479 VanDerWaalsContact OH-N 3.07Å; Y442-A483 HydrophobicContact CE1-CB 4.09Å; Y442-F485 HydrophobicContact CE1-CD2 4.41Å; Y442-F485 AromaticContact CE1-CE2 3.79Å; Y442-F485 HydrophobicContact CE1-CE2 3.79Å; Y442-F485 HydrophobicContact CE1-CZ 4.46Å; Y442-L510 HydrophobicContact CD1-CD2 3.85Å; Y442-L510 HydrophobicContact CE1-CD2 3.67Å; Y442-L510 HydrophobicContact CG-CD2 4.37Å
443E91.6Very high94.8Very high91 Ų9144.3 Ų44.343%0.42522%0.221SC..Hα-helixtrans-62.6-39.8175.2-61.1-174.5128.100111.7Q440 L441 I445 K446 V449 W451Q440-E443 WeakPolarHBondContact O-CB 3.28Å; Q440-E443 PolarHBondContact O-N 3.24Å; L441-E443 VanDerWaalsContact C-N 3.3Å; L441-E443 PolarHBondContact O-N 2.95Å; E443-I445 PolarHBondContact O-N 2.9Å; E443-K446 PolarHBondContact O-N 3.32Å; E443-V449 HydrophobicContact CG-CB 4.21Å; E443-V449 HydrophobicContact CG-CG2 3.89Å; E443-W451 VanDerWaalsContact CD-NE1 3.35Å; E443-W451 PolarHBondContact OE1-NE1 2.97Å
444R89.8Confident94.8Very high103 Ų10342.7 Ų42.739%0.38921%0.214SC..Hα-helixtrans-62.6-24.4176.6-56.5-56.8-177.5160.51113L419 Q440 L441 Y442L419-R444 HydrophobicContact CB-CG 4.47Å; L419-R444 HydrophobicContact CD1-CB 4.33Å; L419-R444 HydrophobicContact CD1-CG 4.3Å; L419-R444 PolarHBondContact O-NH2 2.86Å; Q440-R444 WeakPolarHBondContact O-CG 3.36Å; Q440-R444 PolarHBondContact O-N 3.27Å; L441-R444 WeakPolarHBondContact O-CB 3.25Å; L441-R444 PolarHBondContact O-N 2.85Å; L441-R444 VanDerWaalsContact O-N 3.11Å; Y442-R444 VanDerWaalsContact C-N 3.31Å; Y442-R444 PolarHBondContact O-N 3.31Å
445I90.4Very high94.8Very high3 Ų343.3 Ų43.32%0.01522%0.217CC..THydrogen-bonded Turntrans-103.821.8175.766.5164.5000113.3L441 Y442 E443 V447 F485 L510 R513 Y514 N517L441-I445 WeakPolarHBondContact O-CG1 2.87Å; L441-I445 PolarHBondContact O-N 3.15Å; L441-I445 VanDerWaalsContact O-N 3.12Å; Y442-I445 HydrophobicContact CD1-CD1 3.98Å; Y442-I445 HydrophobicContact CD1-CG1 4.4Å; Y442-I445 HydrophobicContact CE1-CD1 4.44Å; Y442-I445 CarbonylContact O-C 3.58Å; Y442-I445 WeakPolarHBondContact O-CG1 2.78Å; Y442-I445 PolarHBondContact O-N 2.89Å; Y442-I445 VanDerWaalsContact O-N 3.11Å; E443-I445 PolarHBondContact O-N 2.9Å; I445-V447 HydrophobicContact CD1-CG2 4.07Å; I445-V447 HydrophobicContact CG1-CB 4.4Å; I445-V447 HydrophobicContact CG1-CG2 4.02Å; I445-V447 PolarHBondContact O-N 3.47Å; I445-F485 HydrophobicContact CD1-CE2 4.4Å; I445-F485 HydrophobicContact CD1-CZ 3.68Å; I445-L510 HydrophobicContact CD1-CD2 3.61Å; I445-L510 HydrophobicContact CG1-CD2 4.5Å; I445-R513 HydrophobicContact CB-CG 4.17Å; I445-R513 HydrophobicContact CD1-CB 4.07Å; I445-R513 HydrophobicContact CD1-CG 3.87Å; I445-Y514 HydrophobicContact CG2-CD2 4.24Å; I445-Y514 HydrophobicContact CG2-CG 4.44Å; I445-N517 VanDerWaalsContact C-ND2 3.35Å; I445-N517 PolarHBondContact O-ND2 2.81Å
446K89.8Confident94.4Very high128 Ų12849.4 Ų49.456%0.55724%0.244SC*.THydrogen-bonded Turntrans60.929.8176-51-179.8-175.91770113.4Y442 E443 D521Y442-K446 PolarHBondContact O-N 3Å; E443-K446 PolarHBondContact O-N 3.32Å; K446-D521 IonicContact NZ-OD1 3.61Å; K446-D521 PolarHBondContact NZ-OD1 3.3Å; K446-D521 IonicContact NZ-OD2 3.95Å; K446-D521 PolarHBondContact NZ-OD2 2.96Å
447V93.3Very high93.8Very high9 Ų952.3 Ų52.36%0.05526%0.264CS..  trans-100.1113.6169.8172.90000108Y442 I445 V449 L478 P482 A483Y442-V447 CarbonylContact C-O 3.55Å; Y442-V447 VanDerWaalsContact C-O 3.3Å; Y442-V447 HydrophobicContact CD1-CB 3.8Å; Y442-V447 HydrophobicContact CD1-CG1 3.71Å; Y442-V447 HydrophobicContact CD1-CG2 4.13Å; Y442-V447 HydrophobicContact CG-CB 4.3Å; Y442-V447 HydrophobicContact CG-CG1 4.13Å; Y442-V447 WeakPolarHBondContact O-CB 3.42Å; Y442-V447 PolarHBondContact O-N 3.18Å; I445-V447 HydrophobicContact CD1-CG2 4.07Å; I445-V447 HydrophobicContact CG1-CB 4.4Å; I445-V447 HydrophobicContact CG1-CG2 4.02Å; I445-V447 PolarHBondContact O-N 3.47Å; V447-V449 PolarHBondContact O-N 3.46Å; V447-L478 HydrophobicContact CG1-CD2 4.48Å; V447-P482 HydrophobicContact CG1-CG 3.94Å; V447-A483 HydrophobicContact CG2-CB 3.86Å
448P93.8Very high93.4Very high102 Ų10258.4 Ų58.466%0.66230%0.303SS*.  trans-62.7136.5-178.3-23.233.8000112.4
449V96Very high92.8Very high18 Ų1860.3 Ų60.311%0.10931%0.311CS..  trans-114.1129175.5-1790000109.4L439 E443 V447 W451 V454 Y474 L478L439-V449 HydrophobicContact CB-CG1 4.31Å; L439-V449 HydrophobicContact CD2-CG1 4.04Å; L439-V449 WeakPolarHBondContact O-CG2 3.4Å; E443-V449 HydrophobicContact CG-CB 4.21Å; E443-V449 HydrophobicContact CG-CG2 3.89Å; V447-V449 PolarHBondContact O-N 3.46Å; V449-W451 HydrophobicContact CG1-CD2 4.17Å; V449-W451 HydrophobicContact CG1-CG 4.46Å; V449-W451 HydrophobicContact CG1-CZ2 4.32Å; V449-W451 PolarHBondContact O-N 3.25Å; V449-V454 HydrophobicContact CG1-CG2 4.29Å; V449-Y474 HydrophobicContact CG1-CE1 4Å; V449-L478 HydrophobicContact CG1-CD1 4.43Å; V449-L478 HydrophobicContact CG2-CD1 3.93Å
450D96.3Very high92.1Very high64 Ų6464.3 Ų64.334%0.34234%0.336SS..  trans-86.792.1171.1-1780.5000109.8S452 K453 Y474D450-S452 VanDerWaalsContact CG-OG 3.29Å; D450-S452 PolarHBondContact O-N 2.87Å; D450-S452 VanDerWaalsContact O-N 3.11Å; D450-S452 VanDerWaalsContact OD1-CB 3.3Å; D450-S452 WeakPolarHBondContact OD1-CB 3.47Å; D450-S452 PolarHBondContact OD1-N 3.48Å; D450-S452 VanDerWaalsContact OD1-N 3.07Å; D450-S452 PolarHBondContact OD1-OG 2.93Å; D450-S452 PolarHBondContact OD2-OG 3.42Å; D450-K453 HydrophobicContact CB-CD 4.32Å; D450-K453 HydrophobicContact CB-CG 4.44Å; D450-K453 PolarHBondContact O-N 2.83Å; D450-K453 VanDerWaalsContact O-N 3.09Å; D450-K453 VanDerWaalsContact OD2-CE 3.31Å; D450-K453 WeakPolarHBondContact OD2-CE 3.47Å; D450-Y474 WeakPolarHBondContact CB-OH 3.44Å; D450-Y474 PolarHBondContact N-OH 3.2Å
451W94.3Very high91.5Very high74 Ų7473.1 Ų73.128%0.2838%0.375SS..G310 helixtrans-63.7-12.8-179.6-70.4102.4000114.5L439 Q440 E443 V449 K453 V454L439-W451 HydrophobicContact CB-CH2 3.95Å; L439-W451 HydrophobicContact CB-CZ3 4.37Å; Q440-W451 HydrophobicContact CG-CH2 3.86Å; Q440-W451 HydrophobicContact CG-CZ2 4.16Å; E443-W451 VanDerWaalsContact CD-NE1 3.35Å; E443-W451 PolarHBondContact OE1-NE1 2.97Å; V449-W451 HydrophobicContact CG1-CD2 4.17Å; V449-W451 HydrophobicContact CG1-CG 4.46Å; V449-W451 HydrophobicContact CG1-CZ2 4.32Å; V449-W451 PolarHBondContact O-N 3.25Å; W451-K453 PolarHBondContact O-N 3.04Å; W451-V454 HydrophobicContact CE3-CB 3.92Å; W451-V454 HydrophobicContact CE3-CG1 3.98Å; W451-V454 HydrophobicContact CE3-CG2 3.89Å; W451-V454 HydrophobicContact CZ3-CB 4.37Å; W451-V454 HydrophobicContact CZ3-CG1 3.94Å; W451-V454 HydrophobicContact CZ3-CG2 4.34Å; W451-V454 PolarHBondContact O-N 2.63Å
452S94.6Very high90.9Very high103 Ų10381 Ų8172%0.7242%0.415SS*.G310 helixtrans-70.9-22.3174760000112.6D450D450-S452 VanDerWaalsContact CG-OG 3.29Å; D450-S452 PolarHBondContact O-N 2.87Å; D450-S452 VanDerWaalsContact O-N 3.11Å; D450-S452 VanDerWaalsContact OD1-CB 3.3Å; D450-S452 WeakPolarHBondContact OD1-CB 3.47Å; D450-S452 PolarHBondContact OD1-N 3.48Å; D450-S452 VanDerWaalsContact OD1-N 3.07Å; D450-S452 PolarHBondContact OD1-OG 2.93Å; D450-S452 PolarHBondContact OD2-OG 3.42Å
453K94.1Very high90.4Very high119 Ų11982.4 Ų82.452%0.51743%0.431SS..G310 helixtrans-88-7.6176.1-62.8-178.5179.3-178.30113.6D450 W451 Y474D450-K453 HydrophobicContact CB-CD 4.32Å; D450-K453 HydrophobicContact CB-CG 4.44Å; D450-K453 PolarHBondContact O-N 2.83Å; D450-K453 VanDerWaalsContact O-N 3.09Å; D450-K453 VanDerWaalsContact OD2-CE 3.31Å; D450-K453 WeakPolarHBondContact OD2-CE 3.47Å; W451-K453 PolarHBondContact O-N 3.04Å; K453-Y474 HydrophobicContact CB-CE1 4.44Å; K453-Y474 HydrophobicContact CD-CE2 4.32Å
454V96.2Very high90.4Very high14 Ų1479.3 Ų79.39%0.08542%0.421CS..  trans-95.9121.8-170.4-177.60000110.6L436 L439 V449 W451 Y474L436-V454 HydrophobicContact CD2-CG1 3.44Å; L436-V454 VanDerWaalsContact CD2-CG1 3.44Å; L439-V454 HydrophobicContact CD1-CB 4.4Å; L439-V454 HydrophobicContact CD1-CG1 3.7Å; L439-V454 HydrophobicContact CD1-CG2 3.76Å; V449-V454 HydrophobicContact CG1-CG2 4.29Å; W451-V454 HydrophobicContact CE3-CB 3.92Å; W451-V454 HydrophobicContact CE3-CG1 3.98Å; W451-V454 HydrophobicContact CE3-CG2 3.89Å; W451-V454 HydrophobicContact CZ3-CB 4.37Å; W451-V454 HydrophobicContact CZ3-CG1 3.94Å; W451-V454 HydrophobicContact CZ3-CG2 4.34Å; W451-V454 PolarHBondContact O-N 2.63Å; V454-Y474 HydrophobicContact CG2-CD1 4.12Å; V454-Y474 HydrophobicContact CG2-CE1 4.08Å
455N94.4Very high90.5Very high35 Ų3578.6 Ų78.619%0.18742%0.424CS..  trans-78129.2174.2-60.1-81.3000110.4Y459 K467 E470 N471N455-Y459 HydrophobicContact CB-CE1 3.98Å; N455-Y459 PolarHBondContact O-OH 3.48Å; N455-K467 HydrophobicContact CB-CB 3.91Å; N455-K467 HydrophobicContact CB-CG 4.49Å; N455-K467 PolarHBondContact ND2-O 3.06Å; N455-K467 WeakPolarHBondContact OD1-CD 3.1Å; N455-K467 PolarHBondContact OD1-NZ 2.79Å; N455-E470 PolarHBondContact ND2-OE2 2.97Å; N455-N471 WeakPolarHBondContact CB-OD1 3.42Å; N455-N471 PolarHBondContact N-OD1 3.22Å; N455-N471 PolarHBondContact ND2-OD1 3.37Å; N455-N471 PolarHBondContact O-ND2 2.78Å
456K89.4Confident90.8Very high128 Ų12884.6 Ų84.656%0.55745%0.454SS*.  trans-113.6150.1-177.5-62.5-179.5-177.2-179.30111.7
457P84.1Confident91.1Very high75 Ų7581.8 Ų81.849%0.48744%0.442SS..SBendtrans-65.6158.3172.627.6-35.7000112L436 Y459L436-P457 HydrophobicContact CD1-CG 4.27Å; P457-Y459 HydrophobicContact CB-CD2 4.14Å; P457-Y459 HydrophobicContact CB-CE2 3.96Å; P457-Y459 HydrophobicContact CG-CE2 4.46Å
458P87.9Confident91.2Very high127 Ų12784 Ų8483%0.82545%0.451SS*.SBendcis-73.1131.3-0.629.9-34.1000111.9
459Y85.7Confident91.4Very high42 Ų4281 Ų8117%0.16543%0.429CS..PPolyproline II helixtrans-76.7142.9177.9-61.7-68.9000110.7D434 N455 P457 K461 K467 K468D434-Y459 HydrophobicContact CB-CE2 4.31Å; D434-Y459 PolarHBondContact OD2-OH 3.37Å; N455-Y459 HydrophobicContact CB-CE1 3.98Å; N455-Y459 PolarHBondContact O-OH 3.48Å; P457-Y459 HydrophobicContact CB-CD2 4.14Å; P457-Y459 HydrophobicContact CB-CE2 3.96Å; P457-Y459 HydrophobicContact CG-CE2 4.46Å; Y459-K461 PolarHBondContact O-N 2.92Å; Y459-K467 HydrophobicContact CD1-CB 3.86Å; Y459-K467 HydrophobicContact CE1-CB 4.15Å; Y459-K468 HydrophobicContact CD2-CG 4.43Å; Y459-K468 HydrophobicContact CE2-CG 4.16Å
460P84.9Confident91.5Very high83 Ų8384.1 Ų84.154%0.53944%0.442SS..PPolyproline II helixtrans-58.6137172.7-22.232.8000111.2L462 A464P460-L462 PolarHBondContact O-N 3.39Å; P460-A464 WeakPolarHBondContact O-CA 3.46Å; P460-A464 VanDerWaalsContact O-CB 3.26Å; P460-A464 WeakPolarHBondContact O-CB 3.33Å; P460-A464 PolarHBondContact O-N 2.9Å; P460-A464 VanDerWaalsContact O-N 3.15Å
461K82.8Confident91.6Very high217 Ų21781 Ų8194%0.94343%0.426SS*.THydrogen-bonded Turntrans-52.3-43.1-179.9-71.4-172.5178.2-176.20112.3Y459Y459-K461 PolarHBondContact O-N 2.92Å
462L82.9Confident91.8Very high165 Ų16577.5 Ų77.586%0.86441%0.412SS*.THydrogen-bonded Turntrans-89.6122172.7-167.172.1000109.2P460P460-L462 PolarHBondContact O-N 3.39Å
463G86.4Confident92Very high31 Ų3176.4 Ų76.432%0.3240%0.398SS..THydrogen-bonded Turntrans87.24.6178.400000115.5N465 M466 K467G463-N465 PolarHBondContact O-N 3.07Å; G463-M466 WeakPolarHBondContact O-CB 3.27Å; G463-M466 PolarHBondContact O-N 3.32Å; G463-M466 VanDerWaalsContact O-N 3.07Å; G463-K467 PolarHBondContact O-N 2.81Å; G463-K467 VanDerWaalsContact O-N 3.14Å
464A90.8Very high92.2Very high26 Ų2671.8 Ų71.822%0.21538%0.378CS..Hα-helixtrans-49.3-46.9172.900000112.2P460 M466 K467 K468P460-A464 WeakPolarHBondContact O-CA 3.46Å; P460-A464 VanDerWaalsContact O-CB 3.26Å; P460-A464 WeakPolarHBondContact O-CB 3.33Å; P460-A464 PolarHBondContact O-N 2.9Å; P460-A464 VanDerWaalsContact O-N 3.15Å; A464-M466 VanDerWaalsContact C-N 3.31Å; A464-M466 PolarHBondContact O-N 3.17Å; A464-K467 PolarHBondContact O-N 3.45Å; A464-K467 VanDerWaalsContact O-N 3.14Å; A464-K468 WeakPolarHBondContact O-CG 3.27Å; A464-K468 PolarHBondContact O-N 3.43Å
465N93.5Very high92.3Very high88 Ų8871.1 Ų71.147%0.47137%0.374SS..Hα-helixtrans-62.7-38.3-179-159.259.6000112.6G463 K467 K468 L469 N496G463-N465 PolarHBondContact O-N 3.07Å; N465-K467 VanDerWaalsContact C-N 3.31Å; N465-K467 PolarHBondContact O-N 2.81Å; N465-K468 PolarHBondContact O-N 3.43Å; N465-L469 VanDerWaalsContact O-CB 3.31Å; N465-L469 WeakPolarHBondContact O-CB 3.32Å; N465-L469 PolarHBondContact O-N 3.42Å; N465-N496 PolarHBondContact ND2-OD1 3.29Å; N465-N496 PolarHBondContact OD1-OD1 3.36Å; N465-N496 VanDerWaalsContact OD1-OD1 3.12Å
466M95.7Very high92.5Very high129 Ų12969.8 Ų69.864%0.63537%0.367SS*.Hα-helixtrans-63.3-39.5176.1-63.1177.668.700111.4G463 A464 L469 E470G463-M466 WeakPolarHBondContact O-CB 3.27Å; G463-M466 PolarHBondContact O-N 3.32Å; G463-M466 VanDerWaalsContact O-N 3.07Å; A464-M466 VanDerWaalsContact C-N 3.31Å; A464-M466 PolarHBondContact O-N 3.17Å; M466-L469 PolarHBondContact O-N 3.25Å; M466-E470 VanDerWaalsContact O-CG 3.32Å; M466-E470 WeakPolarHBondContact O-CG 3.1Å; M466-E470 PolarHBondContact O-N 3.29Å
467K95.9Very high92.9Very high68 Ų6869 Ų6930%0.29637%0.365SS..Hα-helixtrans-66.9-39.2177.5-65.3-41.2-160.6167.90113.2N455 Y459 G463 A464 N465 E470 N471N455-K467 HydrophobicContact CB-CB 3.91Å; N455-K467 HydrophobicContact CB-CG 4.49Å; N455-K467 PolarHBondContact ND2-O 3.06Å; N455-K467 WeakPolarHBondContact OD1-CD 3.1Å; N455-K467 PolarHBondContact OD1-NZ 2.79Å; Y459-K467 HydrophobicContact CD1-CB 3.86Å; Y459-K467 HydrophobicContact CE1-CB 4.15Å; G463-K467 PolarHBondContact O-N 2.81Å; G463-K467 VanDerWaalsContact O-N 3.14Å; A464-K467 PolarHBondContact O-N 3.45Å; A464-K467 VanDerWaalsContact O-N 3.14Å; N465-K467 VanDerWaalsContact C-N 3.31Å; N465-K467 PolarHBondContact O-N 2.81Å; K467-E470 WeakPolarHBondContact CD-OE2 3.41Å; K467-E470 IonicContact NZ-OE1 2.71Å; K467-E470 PolarHBondContact NZ-OE1 2.87Å; K467-E470 IonicContact NZ-OE2 2.57Å; K467-E470 PolarHBondContact NZ-OE2 3.49Å; K467-N471 PolarHBondContact O-N 3.25Å; K467-N471 PolarHBondContact O-OD1 2.84Å
468K96.6Very high93.6Very high57 Ų5765.9 Ų65.925%0.24834%0.344CS..Hα-helixtrans-64-46.1172.2-65.4-173.3177.7-171.90111.3D434 Y459 A464 N465 E470 N471 C472 N496D434-K468 HydrophobicContact CB-CB 4.11Å; D434-K468 HydrophobicContact CB-CD 4.03Å; D434-K468 HydrophobicContact CB-CG 3.68Å; Y459-K468 HydrophobicContact CD2-CG 4.43Å; Y459-K468 HydrophobicContact CE2-CG 4.16Å; A464-K468 WeakPolarHBondContact O-CG 3.27Å; A464-K468 PolarHBondContact O-N 3.43Å; N465-K468 PolarHBondContact O-N 3.43Å; K468-E470 PolarHBondContact O-N 3.01Å; K468-N471 WeakPolarHBondContact O-CB 3.17Å; K468-N471 PolarHBondContact O-N 2.73Å; K468-N471 VanDerWaalsContact O-N 3.12Å; K468-C472 PolarHBondContact O-N 2.99Å; K468-C472 PolarHBondContact O-SG 3.31Å; K468-C472 VanDerWaalsContact O-SG 3.36Å; K468-N496 VanDerWaalsContact CB-ND2 3.33Å; K468-N496 WeakPolarHBondContact CB-ND2 3.44Å
469L97.9Very high93.9Very high38 Ų3859.9 Ų59.920%0.19931%0.305CS..Hα-helixtrans-61.4-40.4177.7-179.460.8000112.9N465 M466 N471 C472 N473 Q493 N496N465-L469 VanDerWaalsContact O-CB 3.31Å; N465-L469 WeakPolarHBondContact O-CB 3.32Å; N465-L469 PolarHBondContact O-N 3.42Å; M466-L469 PolarHBondContact O-N 3.25Å; L469-N471 VanDerWaalsContact C-N 3.31Å; L469-N471 PolarHBondContact O-N 2.68Å; L469-C472 PolarHBondContact O-N 2.85Å; L469-N473 WeakPolarHBondContact O-CB 3.31Å; L469-N473 PolarHBondContact O-N 2.74Å; L469-N473 PolarHBondContact O-ND2 2.89Å; L469-Q493 HydrophobicContact CD1-CB 4.16Å; L469-N496 HydrophobicContact CD1-CB 4.12Å
470E98.1Very high94.3Very high83 Ų8362 Ų6239%0.38832%0.316SS..Hα-helixtrans-55.4-46172.3-77.5169.3-162.900111.2N455 M466 K467 K468 N473 Y474N455-E470 PolarHBondContact ND2-OE2 2.97Å; M466-E470 VanDerWaalsContact O-CG 3.32Å; M466-E470 WeakPolarHBondContact O-CG 3.1Å; M466-E470 PolarHBondContact O-N 3.29Å; K467-E470 WeakPolarHBondContact CD-OE2 3.41Å; K467-E470 IonicContact NZ-OE1 2.71Å; K467-E470 PolarHBondContact NZ-OE1 2.87Å; K467-E470 IonicContact NZ-OE2 2.57Å; K467-E470 PolarHBondContact NZ-OE2 3.49Å; K468-E470 PolarHBondContact O-N 3.01Å; E470-N473 PolarHBondContact O-N 3.18Å; E470-Y474 PolarHBondContact O-N 3.17Å
471N98.4Very high94.6Very high0 Ų064.7 Ų64.70%032%0.32CS..Hα-helixtrans-64-44.5176.1-66.9-6000112.1D434 A435 L439 N455 K467 K468 L469 N473 Y474 A475D434-N471 WeakPolarHBondContact O-CB 3.38Å; D434-N471 PolarHBondContact O-ND2 3.4Å; A435-N471 HydrophobicContact CB-CB 4.24Å; L439-N471 HydrophobicContact CD1-CB 4.45Å; N455-N471 WeakPolarHBondContact CB-OD1 3.42Å; N455-N471 PolarHBondContact N-OD1 3.22Å; N455-N471 PolarHBondContact ND2-OD1 3.37Å; N455-N471 PolarHBondContact O-ND2 2.78Å; K467-N471 PolarHBondContact O-N 3.25Å; K467-N471 PolarHBondContact O-OD1 2.84Å; K468-N471 WeakPolarHBondContact O-CB 3.17Å; K468-N471 PolarHBondContact O-N 2.73Å; K468-N471 VanDerWaalsContact O-N 3.12Å; L469-N471 VanDerWaalsContact C-N 3.31Å; L469-N471 PolarHBondContact O-N 2.68Å; N471-N473 VanDerWaalsContact C-N 3.34Å; N471-N473 PolarHBondContact O-N 2.64Å; N471-Y474 PolarHBondContact O-N 2.74Å; N471-A475 PolarHBondContact O-N 3.48Å
472C98.6Very high95.1Very high0 Ų058 Ų580%030%0.299CS..Hα-helixtrans-62.7-40.7178.5-66.20000112Q433 A435 K468 L469 Y474 A475 V476 G492 L495 N496Q433-C472 PolarHBondContact O-SG 3.27Å; A435-C472 HydrophobicContact CB-CB 4.43Å; K468-C472 PolarHBondContact O-N 2.99Å; K468-C472 PolarHBondContact O-SG 3.31Å; K468-C472 VanDerWaalsContact O-SG 3.36Å; L469-C472 PolarHBondContact O-N 2.85Å; C472-Y474 VanDerWaalsContact C-N 3.33Å; C472-Y474 PolarHBondContact O-N 3.47Å; C472-A475 PolarHBondContact O-N 3.49Å; C472-V476 WeakPolarHBondContact O-CG2 3.38Å; C472-V476 PolarHBondContact O-N 3.01Å; C472-G492 WeakPolarHBondContact CB-O 3.25Å; C472-L495 HydrophobicContact CB-CB 4.1Å; C472-N496 HydrophobicContact CB-CB 4.39Å
473N98.5Very high95.4Very high79 Ų7950.4 Ų50.442%0.42226%0.26SS..Hα-helixtrans-60.5-44.4173.9-76.2-36000111.2L469 E470 N471 V476 E477 G492L469-N473 WeakPolarHBondContact O-CB 3.31Å; L469-N473 PolarHBondContact O-N 2.74Å; L469-N473 PolarHBondContact O-ND2 2.89Å; E470-N473 PolarHBondContact O-N 3.18Å; N471-N473 VanDerWaalsContact C-N 3.34Å; N471-N473 PolarHBondContact O-N 2.64Å; N473-V476 PolarHBondContact O-N 3.18Å; N473-E477 PolarHBondContact O-N 2.61Å; N473-G492 VanDerWaalsContact OD1-CA 3.29Å; N473-G492 WeakPolarHBondContact OD1-CA 3.3Å; N473-G492 PolarHBondContact OD1-N 3.36Å
474Y98.5Very high95.7Very high23 Ų2356.7 Ų56.79%0.0928%0.279CS..Hα-helixtrans-64.2-40176.2-178.9-133.6000112.4L439 V449 D450 K453 V454 E470 N471 C472 V476 E477 L478L439-Y474 HydrophobicContact CD2-CD1 3.85Å; L439-Y474 HydrophobicContact CD2-CE1 4.08Å; V449-Y474 HydrophobicContact CG1-CE1 4Å; D450-Y474 WeakPolarHBondContact CB-OH 3.44Å; D450-Y474 PolarHBondContact N-OH 3.2Å; K453-Y474 HydrophobicContact CB-CE1 4.44Å; K453-Y474 HydrophobicContact CD-CE2 4.32Å; V454-Y474 HydrophobicContact CG2-CD1 4.12Å; V454-Y474 HydrophobicContact CG2-CE1 4.08Å; E470-Y474 PolarHBondContact O-N 3.17Å; N471-Y474 PolarHBondContact O-N 2.74Å; C472-Y474 VanDerWaalsContact C-N 3.33Å; C472-Y474 PolarHBondContact O-N 3.47Å; Y474-V476 VanDerWaalsContact C-N 3.33Å; Y474-V476 PolarHBondContact O-N 3.48Å; Y474-E477 WeakPolarHBondContact O-CB 3.44Å; Y474-E477 PolarHBondContact O-N 3.14Å; Y474-L478 HydrophobicContact CD1-CD1 4.4Å; Y474-L478 HydrophobicContact CD2-CG 4.24Å; Y474-L478 HydrophobicContact CE1-CD1 3.9Å; Y474-L478 HydrophobicContact CE1-CG 4.48Å; Y474-L478 HydrophobicContact CE2-CD1 4.08Å; Y474-L478 HydrophobicContact CE2-CD2 3.9Å; Y474-L478 HydrophobicContact CE2-CG 3.76Å; Y474-L478 WeakPolarHBondContact O-CG 3.31Å; Y474-L478 PolarHBondContact O-N 3.16Å
475A98.4Very high95.8Very high0 Ų056.6 Ų56.60%027%0.273CS..Hα-helixtrans-63-37.5175.300000112.7A435 I438 L439 Y442 N471 C472 G479A435-A475 HydrophobicContact CB-CB 3.8Å; I438-A475 HydrophobicContact CG2-CB 3.97Å; L439-A475 HydrophobicContact CD2-CB 4.14Å; L439-A475 HydrophobicContact CG-CB 4.43Å; Y442-A475 HydrophobicContact CE2-CB 4.25Å; Y442-A475 VanDerWaalsContact CE2-O 3.3Å; Y442-A475 WeakPolarHBondContact CE2-O 3.47Å; Y442-A475 PolarHBondContact OH-O 2.91Å; N471-A475 PolarHBondContact O-N 3.48Å; C472-A475 PolarHBondContact O-N 3.49Å; A475-G479 PolarHBondContact O-N 2.74Å; A475-G479 VanDerWaalsContact O-N 3.1Å
476V98.2Very high95.7Very high7 Ų756.4 Ų56.44%0.04228%0.279CS..Hα-helixtrans-69.7-38.5173.5172.10000111.4C472 N473 Y474 G479 K480 L487 I490 L495C472-V476 WeakPolarHBondContact O-CG2 3.38Å; C472-V476 PolarHBondContact O-N 3.01Å; N473-V476 PolarHBondContact O-N 3.18Å; Y474-V476 VanDerWaalsContact C-N 3.33Å; Y474-V476 PolarHBondContact O-N 3.48Å; V476-G479 PolarHBondContact O-N 2.98Å; V476-K480 HydrophobicContact CG1-CD 4.27Å; V476-K480 PolarHBondContact O-N 3.36Å; V476-L487 HydrophobicContact CG1-CD1 4.3Å; V476-I490 WeakPolarHBondContact CG1-O 3.45Å; V476-I490 HydrophobicContact CG2-CG2 4.33Å; V476-L495 HydrophobicContact CG2-CD1 3.64Å; V476-L495 HydrophobicContact CG2-CG 4.37Å
477E97.6Very high95.5Very high111 Ų11150.5 Ų50.552%0.51925%0.25SS..Hα-helixtrans-57.6-53173.8-172.3-172.216400110.4N473 Y474 G479 K480 H481N473-E477 PolarHBondContact O-N 2.61Å; Y474-E477 WeakPolarHBondContact O-CB 3.44Å; Y474-E477 PolarHBondContact O-N 3.14Å; E477-G479 PolarHBondContact O-N 3.15Å; E477-K480 PolarHBondContact O-N 2.94Å; E477-K480 VanDerWaalsContact O-N 3.09Å; E477-H481 CarbonylContact C-O 3.55Å; E477-H481 CarbonylContact O-C 3.43Å; E477-H481 PolarHBondContact O-N 3.18Å
478L97.6Very high95.2Very high10 Ų1053.7 Ų53.75%0.05228%0.275CS..Hα-helixtrans-56.3-39.4176.7-72.5178.9000112.9L439 Y442 V447 V449 Y474 H481 A483L439-L478 HydrophobicContact CD2-CD1 3.76Å; Y442-L478 HydrophobicContact CD2-CB 4.18Å; Y442-L478 HydrophobicContact CD2-CD1 4.05Å; Y442-L478 HydrophobicContact CE1-CB 4.33Å; Y442-L478 HydrophobicContact CE2-CB 3.93Å; Y442-L478 HydrophobicContact CE2-CD1 4.46Å; Y442-L478 HydrophobicContact CG-CB 4.49Å; Y442-L478 HydrophobicContact CG-CD1 4.46Å; V447-L478 HydrophobicContact CG1-CD2 4.48Å; V449-L478 HydrophobicContact CG1-CD1 4.43Å; V449-L478 HydrophobicContact CG2-CD1 3.93Å; Y474-L478 HydrophobicContact CD1-CD1 4.4Å; Y474-L478 HydrophobicContact CD2-CG 4.24Å; Y474-L478 HydrophobicContact CE1-CD1 3.9Å; Y474-L478 HydrophobicContact CE1-CG 4.48Å; Y474-L478 HydrophobicContact CE2-CD1 4.08Å; Y474-L478 HydrophobicContact CE2-CD2 3.9Å; Y474-L478 HydrophobicContact CE2-CG 3.76Å; Y474-L478 WeakPolarHBondContact O-CG 3.31Å; Y474-L478 PolarHBondContact O-N 3.16Å; L478-H481 CarbonylContact C-O 3.51Å; L478-H481 WeakPolarHBondContact CA-O 3.27Å; L478-H481 CarbonylContact O-C 3.38Å; L478-H481 PolarHBondContact O-N 3.34Å; L478-A483 VanDerWaalsContact O-CB 3.24Å; L478-A483 WeakPolarHBondContact O-CB 3.29Å; L478-A483 PolarHBondContact O-N 3.15Å
479G95.5Very high94.8Very high0 Ų054 Ų540%030%0.295CS..Hα-helixtrans-61.4-46.7175.900000112.2Y442 A475 V476 E477 A483 K484 F485Y442-G479 WeakPolarHBondContact OH-CA 3.45Å; Y442-G479 PolarHBondContact OH-N 3.36Å; Y442-G479 VanDerWaalsContact OH-N 3.07Å; A475-G479 PolarHBondContact O-N 2.74Å; A475-G479 VanDerWaalsContact O-N 3.1Å; V476-G479 PolarHBondContact O-N 2.98Å; E477-G479 PolarHBondContact O-N 3.15Å; G479-A483 CarbonylContact O-C 3.54Å; G479-A483 WeakPolarHBondContact O-CB 3.24Å; G479-K484 PolarHBondContact O-N 2.88Å; G479-K484 VanDerWaalsContact O-N 3.07Å; G479-F485 VanDerWaalsContact O-CB 3.3Å; G479-F485 WeakPolarHBondContact O-CB 3.47Å; G479-F485 PolarHBondContact O-N 3.14Å
480K94.4Very high94.7Very high88 Ų8852.7 Ų52.738%0.38329%0.288SS..Hα-helixtrans-68.6-46.8175.4-68.5174.3-176.5169.90110.9V476 E477 K484 L487V476-K480 HydrophobicContact CG1-CD 4.27Å; V476-K480 PolarHBondContact O-N 3.36Å; E477-K480 PolarHBondContact O-N 2.94Å; E477-K480 VanDerWaalsContact O-N 3.09Å; K480-K484 WeakPolarHBondContact O-CA 3.44Å; K480-K484 PolarHBondContact O-N 2.87Å; K480-L487 HydrophobicContact CG-CB 4.15Å; K480-L487 HydrophobicContact CG-CD1 4.29Å
481H91.4Very high94.7Very high139 Ų13950 Ų5064%0.64428%0.283SS*.THydrogen-bonded Turntrans-145.8121.8-179-60.5-60.8000110.8E477 L478E477-H481 CarbonylContact C-O 3.55Å; E477-H481 CarbonylContact O-C 3.43Å; E477-H481 PolarHBondContact O-N 3.18Å; L478-H481 CarbonylContact C-O 3.51Å; L478-H481 WeakPolarHBondContact CA-O 3.27Å; L478-H481 CarbonylContact O-C 3.38Å; L478-H481 PolarHBondContact O-N 3.34Å
482P91.9Very high94.6Very high75 Ų7550.1 Ų50.149%0.48728%0.283SS..THydrogen-bonded Turncis-94.3-2.713.236.3-36.2000114.8V447 K484V447-P482 HydrophobicContact CG1-CG 3.94Å; P482-K484 VanDerWaalsContact C-N 3.29Å; P482-K484 PolarHBondContact O-N 3.15Å
483A89.9Confident94.6Very high7 Ų753.8 Ų53.86%0.05830%0.301CS..THydrogen-bonded Turntrans-69.2-23.2-170.500000114.2Y442 V447 L478 G479 F485Y442-A483 HydrophobicContact CE1-CB 4.09Å; V447-A483 HydrophobicContact CG2-CB 3.86Å; L478-A483 VanDerWaalsContact O-CB 3.24Å; L478-A483 WeakPolarHBondContact O-CB 3.29Å; L478-A483 PolarHBondContact O-N 3.15Å; G479-A483 CarbonylContact O-C 3.54Å; G479-A483 WeakPolarHBondContact O-CB 3.24Å; A483-F485 VanDerWaalsContact C-N 3.34Å; A483-F485 HydrophobicContact CB-CD1 4.1Å; A483-F485 HydrophobicContact CB-CD2 4.32Å; A483-F485 HydrophobicContact CB-CE1 4Å; A483-F485 HydrophobicContact CB-CE2 4.22Å; A483-F485 HydrophobicContact CB-CG 4.26Å; A483-F485 HydrophobicContact CB-CZ 4.07Å
484K91.4Very high94.6Very high163 Ų16352.1 Ų52.171%0.70929%0.292SS*.  trans61.137.2178.7-59179.4-178.9-174.10113.7G479 K480 P482G479-K484 PolarHBondContact O-N 2.88Å; G479-K484 VanDerWaalsContact O-N 3.07Å; K480-K484 WeakPolarHBondContact O-CA 3.44Å; K480-K484 PolarHBondContact O-N 2.87Å; P482-K484 VanDerWaalsContact C-N 3.29Å; P482-K484 PolarHBondContact O-N 3.15Å
485F93.3Very high94.5Very high23 Ų2351.1 Ų51.110%0.10129%0.288CS..  trans-71.4149.2171.2-67.1-11.1000111.6Y442 I445 G479 A483 L487 L506 Q509 L510 R513Y442-F485 HydrophobicContact CE1-CD2 4.41Å; Y442-F485 AromaticContact CE1-CE2 3.79Å; Y442-F485 HydrophobicContact CE1-CE2 3.79Å; Y442-F485 HydrophobicContact CE1-CZ 4.46Å; I445-F485 HydrophobicContact CD1-CE2 4.4Å; I445-F485 HydrophobicContact CD1-CZ 3.68Å; G479-F485 VanDerWaalsContact O-CB 3.3Å; G479-F485 WeakPolarHBondContact O-CB 3.47Å; G479-F485 PolarHBondContact O-N 3.14Å; A483-F485 VanDerWaalsContact C-N 3.34Å; A483-F485 HydrophobicContact CB-CD1 4.1Å; A483-F485 HydrophobicContact CB-CD2 4.32Å; A483-F485 HydrophobicContact CB-CE1 4Å; A483-F485 HydrophobicContact CB-CE2 4.22Å; A483-F485 HydrophobicContact CB-CG 4.26Å; A483-F485 HydrophobicContact CB-CZ 4.07Å; F485-L487 HydrophobicContact CB-CD1 4.23Å; F485-L487 HydrophobicContact CB-CD2 4.01Å; F485-L487 HydrophobicContact CB-CG 3.78Å; F485-L487 PolarHBondContact O-N 3.44Å; F485-L487 VanDerWaalsContact O-N 3.13Å; F485-L506 HydrophobicContact CD2-CD1 3.93Å; F485-L506 HydrophobicContact CE2-CD1 4.3Å; F485-Q509 VanDerWaalsContact CA-OE1 3.25Å; F485-Q509 HydrophobicContact CD1-CB 4.15Å; F485-Q509 HydrophobicContact CD2-CB 4Å; F485-Q509 HydrophobicContact CE1-CB 4.33Å; F485-Q509 HydrophobicContact CE2-CB 4.18Å; F485-Q509 HydrophobicContact CG-CB 3.98Å; F485-Q509 HydrophobicContact CZ-CB 4.34Å; F485-L510 HydrophobicContact CE2-CD2 3.61Å; F485-L510 HydrophobicContact CE2-CG 3.91Å; F485-L510 HydrophobicContact CZ-CD2 4Å; F485-L510 HydrophobicContact CZ-CG 4.42Å; F485-R513 HydrophobicContact CE1-CB 3.93Å; F485-R513 HydrophobicContact CE1-CG 4.2Å; F485-R513 HydrophobicContact CZ-CB 4.06Å; F485-R513 HydrophobicContact CZ-CG 4.44Å
486S92.3Very high94.4Very high85 Ų8551.3 Ų51.359%0.59429%0.289SS*.  trans-82.487172.3-179.90000109.1Q509S486-Q509 PolarHBondContact O-NE2 2.69Å
487L92.2Very high94.3Very high5 Ų555.7 Ų55.73%0.02631%0.312CS..  trans-108.138-179-57.8-175.4000112.2V476 K480 F485 G489 I490 L506V476-L487 HydrophobicContact CG1-CD1 4.3Å; K480-L487 HydrophobicContact CG-CB 4.15Å; K480-L487 HydrophobicContact CG-CD1 4.29Å; F485-L487 HydrophobicContact CB-CD1 4.23Å; F485-L487 HydrophobicContact CB-CD2 4.01Å; F485-L487 HydrophobicContact CB-CG 3.78Å; F485-L487 PolarHBondContact O-N 3.44Å; F485-L487 VanDerWaalsContact O-N 3.13Å; L487-G489 PolarHBondContact O-N 3.09Å; L487-I490 HydrophobicContact CB-CB 4.2Å; L487-I490 HydrophobicContact CD2-CD1 3.8Å; L487-I490 PolarHBondContact O-N 2.74Å; L487-L506 HydrophobicContact CD1-CD1 4.11Å; L487-L506 HydrophobicContact CD2-CD1 3.81Å
488V88.1Confident94.1Very high134 Ų13450.9 Ų50.981%0.81229%0.293SS*.THydrogen-bonded Turntrans-64.9123.7176.4-177.90000108.6I490V488-I490 VanDerWaalsContact C-N 3.29Å; V488-I490 PolarHBondContact O-N 3.28Å
489G89.6Confident94Very high65 Ų6553.5 Ų53.567%0.6731%0.306SS*.THydrogen-bonded Turntrans77.37.3-177.700000115.2L487L487-G489 PolarHBondContact O-N 3.09Å
490I95.2Very high93.9Very high10 Ų1059 Ų595%0.05133%0.332CS..  trans-105.7118.4173.5-56.8173.6000108.8V476 L487 V488 L502 A505V476-I490 WeakPolarHBondContact CG1-O 3.45Å; V476-I490 HydrophobicContact CG2-CG2 4.33Å; L487-I490 HydrophobicContact CB-CB 4.2Å; L487-I490 HydrophobicContact CD2-CD1 3.8Å; L487-I490 PolarHBondContact O-N 2.74Å; V488-I490 VanDerWaalsContact C-N 3.29Å; V488-I490 PolarHBondContact O-N 3.28Å; I490-L502 HydrophobicContact CG1-CB 4.19Å; I490-L502 HydrophobicContact CG1-CD2 3.92Å; I490-L502 HydrophobicContact CG1-CG 4.44Å; I490-A505 HydrophobicContact CD1-CB 4.12Å
491G97Very high93.9Very high27 Ų2759.8 Ų59.828%0.27835%0.345SS..  trans-111.2170.417200000112.5Q493 D494G491-Q493 PolarHBondContact O-N 3.07Å; G491-D494 WeakPolarHBondContact CA-OD2 3.46Å; G491-D494 PolarHBondContact N-OD2 3.13Å; G491-D494 PolarHBondContact O-N 2.77Å
492G97.6Very high94.1Very high1 Ų155 Ų551%0.0132%0.323CS..Hα-helixtrans-66.1-28.9176.600000112.7C472 N473 D494 L495 N496C472-G492 WeakPolarHBondContact CB-O 3.25Å; N473-G492 VanDerWaalsContact OD1-CA 3.29Å; N473-G492 WeakPolarHBondContact OD1-CA 3.3Å; N473-G492 PolarHBondContact OD1-N 3.36Å; G492-D494 VanDerWaalsContact C-N 3.35Å; G492-D494 PolarHBondContact O-N 2.86Å; G492-L495 PolarHBondContact O-N 3.1Å; G492-N496 WeakPolarHBondContact O-CB 3.44Å; G492-N496 PolarHBondContact O-N 2.92Å
493Q97.8Very high94.4Very high78 Ų7851.5 Ų51.536%0.36430%0.301SS..Hα-helixtrans-61-43.3175.7-171.362.243.800111.5L469 G491 L495 N496 D497L469-Q493 HydrophobicContact CD1-CB 4.16Å; G491-Q493 PolarHBondContact O-N 3.07Å; Q493-L495 VanDerWaalsContact C-N 3.28Å; Q493-L495 PolarHBondContact O-N 3.42Å; Q493-N496 PolarHBondContact O-N 2.75Å; Q493-N496 VanDerWaalsContact O-N 3.13Å; Q493-D497 WeakPolarHBondContact CG-OD2 2.99Å; Q493-D497 PolarHBondContact NE2-OD1 3.09Å; Q493-D497 PolarHBondContact NE2-OD2 3.11Å; Q493-D497 WeakPolarHBondContact O-CB 3.3Å; Q493-D497 PolarHBondContact O-N 3.47Å
494D97.8Very high94.6Very high44 Ų4452.2 Ų52.224%0.23530%0.303CS..Hα-helixtrans-61-37.6179.9-56.9-66.2000112.5G491 G492 G498 N499 L502G491-D494 WeakPolarHBondContact CA-OD2 3.46Å; G491-D494 PolarHBondContact N-OD2 3.13Å; G491-D494 PolarHBondContact O-N 2.77Å; G492-D494 VanDerWaalsContact C-N 3.35Å; G492-D494 PolarHBondContact O-N 2.86Å; D494-G498 PolarHBondContact O-N 3.36Å; D494-N499 HydrophobicContact CB-CB 4.27Å; D494-N499 VanDerWaalsContact O-CB 3.24Å; D494-N499 WeakPolarHBondContact O-CB 3.3Å; D494-N499 PolarHBondContact O-N 2.85Å; D494-L502 HydrophobicContact CB-CB 4.28Å; D494-L502 HydrophobicContact CB-CD1 3.59Å; D494-L502 VanDerWaalsContact CG-CD1 3.41Å; D494-L502 WeakPolarHBondContact OD1-CD1 3.48Å
495L97.3Very high94.8Very high2 Ų246 Ų461%0.0128%0.282CS..Hα-helixtrans-72.2-42.6175.4-58.7-179000111.3I438 C472 V476 G492 Q493 D497 G498 L506I438-L495 HydrophobicContact CD1-CD1 4.17Å; C472-L495 HydrophobicContact CB-CB 4.1Å; V476-L495 HydrophobicContact CG2-CD1 3.64Å; V476-L495 HydrophobicContact CG2-CG 4.37Å; G492-L495 PolarHBondContact O-N 3.1Å; Q493-L495 VanDerWaalsContact C-N 3.28Å; Q493-L495 PolarHBondContact O-N 3.42Å; L495-D497 VanDerWaalsContact C-N 3.31Å; L495-D497 PolarHBondContact O-N 3.2Å; L495-G498 PolarHBondContact O-N 2.65Å; L495-G498 VanDerWaalsContact O-N 3.08Å; L495-L506 HydrophobicContact CD1-CD2 3.63Å; L495-L506 HydrophobicContact CD2-CD2 3.89Å; L495-L506 HydrophobicContact CG-CD2 4.42Å
496N97.4Very high94.9Very high3 Ų344.9 Ų44.92%0.01628%0.277CS..Hα-helixtrans-66.4-33.9-179.3-178.5-131000112.3Q433 N465 K468 L469 C472 G492 Q493 G498Q433-N496 WeakPolarHBondContact CB-O 3.37Å; Q433-N496 WeakPolarHBondContact CG-O 3.2Å; Q433-N496 PolarHBondContact NE2-O 3.09Å; Q433-N496 PolarHBondContact O-ND2 3.27Å; N465-N496 PolarHBondContact ND2-OD1 3.29Å; N465-N496 PolarHBondContact OD1-OD1 3.36Å; N465-N496 VanDerWaalsContact OD1-OD1 3.12Å; K468-N496 VanDerWaalsContact CB-ND2 3.33Å; K468-N496 WeakPolarHBondContact CB-ND2 3.44Å; L469-N496 HydrophobicContact CD1-CB 4.12Å; C472-N496 HydrophobicContact CB-CB 4.39Å; G492-N496 WeakPolarHBondContact O-CB 3.44Å; G492-N496 PolarHBondContact O-N 2.92Å; Q493-N496 PolarHBondContact O-N 2.75Å; Q493-N496 VanDerWaalsContact O-N 3.13Å; N496-G498 PolarHBondContact O-N 2.99Å
497D95.5Very high95.2Very high99 Ų9940.8 Ų40.853%0.52925%0.249SC..THydrogen-bonded Turntrans-77.1-9.3174-67.9-21.8000112.8Q493 L495Q493-D497 WeakPolarHBondContact CG-OD2 2.99Å; Q493-D497 PolarHBondContact NE2-OD1 3.09Å; Q493-D497 PolarHBondContact NE2-OD2 3.11Å; Q493-D497 WeakPolarHBondContact O-CB 3.3Å; Q493-D497 PolarHBondContact O-N 3.47Å; L495-D497 VanDerWaalsContact C-N 3.31Å; L495-D497 PolarHBondContact O-N 3.2Å
498G93.5Very high95.3Very high11 Ų1142.1 Ų42.111%0.11325%0.254CS..THydrogen-bonded Turntrans7233.8-178.200000113.5D494 L495 N496 Q500D494-G498 PolarHBondContact O-N 3.36Å; L495-G498 PolarHBondContact O-N 2.65Å; L495-G498 VanDerWaalsContact O-N 3.08Å; N496-G498 PolarHBondContact O-N 2.99Å; G498-Q500 PolarHBondContact O-N 3.28Å; G498-Q500 VanDerWaalsContact O-N 3.1Å
499N95.4Very high95.6Very high64 Ų6437.5 Ų37.534%0.34222%0.223SC..  trans-59.6116.7178.1-176.3-62.5000110.6D494 T501 L502 T503D494-N499 HydrophobicContact CB-CB 4.27Å; D494-N499 VanDerWaalsContact O-CB 3.24Å; D494-N499 WeakPolarHBondContact O-CB 3.3Å; D494-N499 PolarHBondContact O-N 2.85Å; N499-T501 PolarHBondContact O-N 2.83Å; N499-T501 PolarHBondContact OD1-N 3.29Å; N499-L502 HydrophobicContact CB-CB 4.31Å; N499-L502 HydrophobicContact CB-CD1 4.5Å; N499-L502 PolarHBondContact O-N 3.45Å; N499-L502 WeakPolarHBondContact OD1-CG 3.28Å; N499-L502 PolarHBondContact OD1-N 3.24Å; N499-L502 VanDerWaalsContact OD1-N 3.1Å; N499-T503 WeakPolarHBondContact O-CB 3.39Å; N499-T503 PolarHBondContact O-N 3.37Å; N499-T503 PolarHBondContact O-OG1 3.28Å
500Q93.3Very high95.9Very high116 Ų11634.4 Ų34.454%0.54219%0.192SC..Hα-helixtrans-59.4-53-171.1-60.2-175.9-0.700112.7Y429 G498 L502 T503 L504Y429-Q500 HydrophobicContact CD1-CB 4.36Å; Y429-Q500 HydrophobicContact CD1-CG 4.21Å; Y429-Q500 HydrophobicContact CD2-CG 3.84Å; Y429-Q500 HydrophobicContact CE1-CB 3.81Å; Y429-Q500 HydrophobicContact CE1-CG 4.02Å; Y429-Q500 HydrophobicContact CE2-CB 4.11Å; Y429-Q500 HydrophobicContact CE2-CG 3.6Å; Y429-Q500 HydrophobicContact CG-CG 4.12Å; G498-Q500 PolarHBondContact O-N 3.28Å; G498-Q500 VanDerWaalsContact O-N 3.1Å; Q500-L502 PolarHBondContact O-N 2.97Å; Q500-T503 PolarHBondContact O-N 3.24Å; Q500-L504 WeakPolarHBondContact O-CB 3.18Å; Q500-L504 VanDerWaalsContact O-CG 3.29Å; Q500-L504 WeakPolarHBondContact O-CG 3.21Å; Q500-L504 PolarHBondContact O-N 3.2Å
501T94Very high95.8Very high105 Ų10534.1 Ų34.164%0.64419%0.19SC*.Hα-helixtrans-61.3-46.2-176.4-59.70000111.8N499 A505N499-T501 PolarHBondContact O-N 2.83Å; N499-T501 PolarHBondContact OD1-N 3.29Å; T501-A505 WeakPolarHBondContact O-CB 3.47Å; T501-A505 PolarHBondContact O-N 3.13Å
502L96.5Very high95.5Very high37 Ų3737 Ų3719%0.19419%0.193CC..Hα-helixtrans-75.8-34.2-174.8-58.1-178.8000111.7I490 D494 N499 Q500 A505 L506I490-L502 HydrophobicContact CG1-CB 4.19Å; I490-L502 HydrophobicContact CG1-CD2 3.92Å; I490-L502 HydrophobicContact CG1-CG 4.44Å; D494-L502 HydrophobicContact CB-CB 4.28Å; D494-L502 HydrophobicContact CB-CD1 3.59Å; D494-L502 VanDerWaalsContact CG-CD1 3.41Å; D494-L502 WeakPolarHBondContact OD1-CD1 3.48Å; N499-L502 HydrophobicContact CB-CB 4.31Å; N499-L502 HydrophobicContact CB-CD1 4.5Å; N499-L502 PolarHBondContact O-N 3.45Å; N499-L502 WeakPolarHBondContact OD1-CG 3.28Å; N499-L502 PolarHBondContact OD1-N 3.24Å; N499-L502 VanDerWaalsContact OD1-N 3.1Å; Q500-L502 PolarHBondContact O-N 2.97Å; L502-A505 PolarHBondContact O-N 3.3Å; L502-L506 PolarHBondContact O-N 3.19Å; L502-L506 VanDerWaalsContact O-N 3.15Å
503T96.5Very high95.1Very high3 Ų340.3 Ų40.32%0.01821%0.205CC..Hα-helixtrans-63.9-50172.4-58.70000110.6Y429 L432 N499 Q500 A505 L506 V507Y429-T503 HydrophobicContact CD1-CG2 4.11Å; Y429-T503 HydrophobicContact CE1-CG2 4.36Å; L432-T503 HydrophobicContact CD1-CG2 3.76Å; N499-T503 WeakPolarHBondContact O-CB 3.39Å; N499-T503 PolarHBondContact O-N 3.37Å; N499-T503 PolarHBondContact O-OG1 3.28Å; Q500-T503 PolarHBondContact O-N 3.24Å; T503-A505 VanDerWaalsContact C-N 3.28Å; T503-A505 PolarHBondContact O-N 3.16Å; T503-L506 PolarHBondContact O-N 3.26Å; T503-V507 HydrophobicContact CG2-CG2 4.3Å; T503-V507 VanDerWaalsContact O-CG2 3.3Å; T503-V507 WeakPolarHBondContact O-CG2 3.16Å; T503-V507 PolarHBondContact O-N 2.82Å
504L95.3Very high94.7Very high21 Ų2138.1 Ų38.111%0.1119%0.193CC..Hα-helixtrans-59.5-38176.2-71.1178.1000112.4E409 F412 L428 Y429 Q500 L506 V507 W508E409-L504 HydrophobicContact CG-CD2 4.03Å; F412-L504 HydrophobicContact CD2-CD2 3.56Å; F412-L504 HydrophobicContact CE2-CB 4.5Å; F412-L504 HydrophobicContact CE2-CD2 3.78Å; L428-L504 HydrophobicContact CD2-CD2 3.62Å; Y429-L504 HydrophobicContact CE1-CD2 4.45Å; Y429-L504 HydrophobicContact CE1-CG 4.17Å; Y429-L504 VanDerWaalsContact OH-CD1 3.31Å; Y429-L504 WeakPolarHBondContact OH-CD1 3.4Å; Y429-L504 WeakPolarHBondContact OH-CG 3.43Å; Q500-L504 WeakPolarHBondContact O-CB 3.18Å; Q500-L504 VanDerWaalsContact O-CG 3.29Å; Q500-L504 WeakPolarHBondContact O-CG 3.21Å; Q500-L504 PolarHBondContact O-N 3.2Å; L504-L506 PolarHBondContact O-N 3.4Å; L504-V507 PolarHBondContact O-N 2.7Å; L504-W508 VanDerWaalsContact O-CB 3.25Å; L504-W508 WeakPolarHBondContact O-CB 3.31Å; L504-W508 PolarHBondContact O-N 3.46Å
505A94.9Very high94.1Very high32 Ų3236.4 Ų36.426%0.26419%0.185SC..Hα-helixtrans-62.9-40177.400000112.6I490 T501 L502 T503 Q509I490-A505 HydrophobicContact CD1-CB 4.12Å; T501-A505 WeakPolarHBondContact O-CB 3.47Å; T501-A505 PolarHBondContact O-N 3.13Å; L502-A505 PolarHBondContact O-N 3.3Å; T503-A505 VanDerWaalsContact C-N 3.28Å; T503-A505 PolarHBondContact O-N 3.16Å; A505-Q509 WeakPolarHBondContact O-CG 3.44Å; A505-Q509 PolarHBondContact O-N 2.93Å
506L96.8Very high93.4Very high0 Ų037 Ų370%019%0.188CC..Hα-helixtrans-70.5-48175.1175.460000111.6I438 F485 L487 L495 L502 T503 L504 W508 Q509 L510I438-L506 HydrophobicContact CD1-CD2 4.12Å; I438-L506 HydrophobicContact CG2-CD2 4.15Å; F485-L506 HydrophobicContact CD2-CD1 3.93Å; F485-L506 HydrophobicContact CE2-CD1 4.3Å; L487-L506 HydrophobicContact CD1-CD1 4.11Å; L487-L506 HydrophobicContact CD2-CD1 3.81Å; L495-L506 HydrophobicContact CD1-CD2 3.63Å; L495-L506 HydrophobicContact CD2-CD2 3.89Å; L495-L506 HydrophobicContact CG-CD2 4.42Å; L502-L506 PolarHBondContact O-N 3.19Å; L502-L506 VanDerWaalsContact O-N 3.15Å; T503-L506 PolarHBondContact O-N 3.26Å; L504-L506 PolarHBondContact O-N 3.4Å; L506-W508 VanDerWaalsContact C-N 3.29Å; L506-W508 PolarHBondContact O-N 3.31Å; L506-Q509 PolarHBondContact O-N 2.88Å; L506-L510 HydrophobicContact CG-CD1 4.28Å; L506-L510 PolarHBondContact O-N 2.97Å
507V96.8Very high92.6Very high0 Ų037.5 Ų37.50%019%0.19CC..Hα-helixtrans-59.8-40.6-179.8174.90000111.3F412 W415 M416 L432 T503 L504 Q509 L510 M511F412-V507 HydrophobicContact CB-CG1 3.71Å; F412-V507 HydrophobicContact CD1-CG1 4.14Å; F412-V507 HydrophobicContact CD2-CB 4.23Å; F412-V507 HydrophobicContact CD2-CG1 3.66Å; F412-V507 HydrophobicContact CE2-CG1 4.3Å; F412-V507 HydrophobicContact CG-CG1 3.58Å; W415-V507 HydrophobicContact CE3-CG1 4.47Å; W415-V507 HydrophobicContact CZ3-CG1 4.1Å; M416-V507 HydrophobicContact CE-CG1 3.76Å; M416-V507 HydrophobicContact CE-CG2 4.43Å; M416-V507 HydrophobicContact SD-CG1 4.5Å; L432-V507 HydrophobicContact CD1-CG2 3.9Å; T503-V507 HydrophobicContact CG2-CG2 4.3Å; T503-V507 VanDerWaalsContact O-CG2 3.3Å; T503-V507 WeakPolarHBondContact O-CG2 3.16Å; T503-V507 PolarHBondContact O-N 2.82Å; L504-V507 PolarHBondContact O-N 2.7Å; V507-Q509 VanDerWaalsContact C-N 3.34Å; V507-Q509 PolarHBondContact O-N 3.34Å; V507-L510 WeakPolarHBondContact O-CB 3.22Å; V507-L510 PolarHBondContact O-N 2.88Å; V507-M511 PolarHBondContact O-N 3.24Å
508W94.9Very high91.4Very high32 Ų3235.2 Ų35.212%0.12118%0.18CC..Hα-helixtrans-57.7-44.3172.3166.9-116.3000112.6F412 L504 L506 L510 M511 R512 K622 M625 T626F412-W508 HydrophobicContact CE1-CE3 4.17Å; F412-W508 HydrophobicContact CE2-CB 4.4Å; F412-W508 HydrophobicContact CZ-CB 3.88Å; F412-W508 HydrophobicContact CZ-CE3 4.13Å; L504-W508 VanDerWaalsContact O-CB 3.25Å; L504-W508 WeakPolarHBondContact O-CB 3.31Å; L504-W508 PolarHBondContact O-N 3.46Å; L506-W508 VanDerWaalsContact C-N 3.29Å; L506-W508 PolarHBondContact O-N 3.31Å; W508-L510 VanDerWaalsContact C-N 3.34Å; W508-L510 PolarHBondContact O-N 2.96Å; W508-M511 PolarHBondContact O-N 3.45Å; W508-R512 HydrophobicContact CH2-CB 4.45Å; W508-R512 HydrophobicContact CZ2-CB 4.22Å; W508-R512 HydrophobicContact CZ2-CG 4.49Å; W508-R512 WeakPolarHBondContact O-CB 3.29Å; W508-R512 PolarHBondContact O-N 3.39Å; W508-K622 HydrophobicContact CD2-CB 4.32Å; W508-K622 HydrophobicContact CD2-CD 3.57Å; W508-K622 HydrophobicContact CD2-CG 4Å; W508-K622 HydrophobicContact CE3-CB 4.09Å; W508-K622 HydrophobicContact CE3-CD 3.9Å; W508-K622 HydrophobicContact CE3-CG 4.27Å; W508-K622 HydrophobicContact CG-CD 3.95Å; W508-K622 VanDerWaalsContact CH2-CA 3.49Å; W508-K622 HydrophobicContact CH2-CB 3.41Å; W508-K622 VanDerWaalsContact CH2-CB 3.41Å; W508-K622 HydrophobicContact CH2-CD 4.41Å; W508-K622 HydrophobicContact CH2-CG 3.88Å; W508-K622 VanDerWaalsContact CH2-O 3.24Å; W508-K622 WeakPolarHBondContact CH2-O 3.31Å; W508-K622 HydrophobicContact CZ2-CB 3.65Å; W508-K622 HydrophobicContact CZ2-CD 4.12Å; W508-K622 HydrophobicContact CZ2-CG 3.54Å; W508-K622 HydrophobicContact CZ3-CB 3.64Å; W508-K622 HydrophobicContact CZ3-CD 4.31Å; W508-K622 HydrophobicContact CZ3-CG 4.22Å; W508-M625 HydrophobicContact CH2-CE 3.48Å; W508-M625 VanDerWaalsContact CH2-CE 3.48Å; W508-M625 HydrophobicContact CZ2-CE 3.66Å; W508-T626 HydrophobicContact CH2-CG2 4.02Å; W508-T626 HydrophobicContact CZ3-CG2 3.95Å
509Q94.1Very high90.3Very high38 Ų3835.1 Ų35.118%0.17818%0.176CC..Hα-helixtrans-67.1-36.3179.6-71.1-17264.800112F485 S486 A505 L506 V507 R513F485-Q509 VanDerWaalsContact CA-OE1 3.25Å; F485-Q509 HydrophobicContact CD1-CB 4.15Å; F485-Q509 HydrophobicContact CD2-CB 4Å; F485-Q509 HydrophobicContact CE1-CB 4.33Å; F485-Q509 HydrophobicContact CE2-CB 4.18Å; F485-Q509 HydrophobicContact CG-CB 3.98Å; F485-Q509 HydrophobicContact CZ-CB 4.34Å; S486-Q509 PolarHBondContact O-NE2 2.69Å; A505-Q509 WeakPolarHBondContact O-CG 3.44Å; A505-Q509 PolarHBondContact O-N 2.93Å; L506-Q509 PolarHBondContact O-N 2.88Å; V507-Q509 VanDerWaalsContact C-N 3.34Å; V507-Q509 PolarHBondContact O-N 3.34Å; Q509-R513 WeakPolarHBondContact O-CB 3.49Å; Q509-R513 PolarHBondContact O-N 3.37Å
510L95.7Very high88.7Confident0 Ų035.1 Ų35.10%017%0.174CC..Hα-helixtrans-61-50.2170.9-67.9164.8000111.2W415 I438 L441 Y442 I445 F485 L506 V507 W508 R512 R513 Y514W415-L510 HydrophobicContact CH2-CB 3.83Å; W415-L510 HydrophobicContact CZ3-CB 4.36Å; I438-L510 HydrophobicContact CG2-CD1 4.09Å; L441-L510 HydrophobicContact CB-CD1 4.36Å; L441-L510 HydrophobicContact CD1-CD1 4.17Å; Y442-L510 HydrophobicContact CD1-CD2 3.85Å; Y442-L510 HydrophobicContact CE1-CD2 3.67Å; Y442-L510 HydrophobicContact CG-CD2 4.37Å; I445-L510 HydrophobicContact CD1-CD2 3.61Å; I445-L510 HydrophobicContact CG1-CD2 4.5Å; F485-L510 HydrophobicContact CE2-CD2 3.61Å; F485-L510 HydrophobicContact CE2-CG 3.91Å; F485-L510 HydrophobicContact CZ-CD2 4Å; F485-L510 HydrophobicContact CZ-CG 4.42Å; L506-L510 HydrophobicContact CG-CD1 4.28Å; L506-L510 PolarHBondContact O-N 2.97Å; V507-L510 WeakPolarHBondContact O-CB 3.22Å; V507-L510 PolarHBondContact O-N 2.88Å; W508-L510 VanDerWaalsContact C-N 3.34Å; W508-L510 PolarHBondContact O-N 2.96Å; L510-R512 PolarHBondContact O-N 3.07Å; L510-R513 PolarHBondContact O-N 3.03Å; L510-Y514 WeakPolarHBondContact O-CB 3.32Å; L510-Y514 PolarHBondContact O-N 3.44Å
511M93.9Very high87.1Confident3 Ų334.9 Ų34.92%0.01518%0.177CC..Hα-helixtrans-63.5-41.1179.4-173.4-177.8-174.300112.3F412 W415 V507 W508 Y514 T515 Y610F412-M511 HydrophobicContact CD1-SD 3.68Å; F412-M511 HydrophobicContact CE1-SD 3.58Å; F412-M511 VanDerWaalsContact CE1-SD 3.58Å; W415-M511 HydrophobicContact CB-CE 4.48Å; W415-M511 HydrophobicContact CD2-CB 4.08Å; W415-M511 HydrophobicContact CD2-CG 3.87Å; W415-M511 HydrophobicContact CD2-SD 4.37Å; W415-M511 HydrophobicContact CE3-CB 3.9Å; W415-M511 HydrophobicContact CE3-CG 4.15Å; W415-M511 HydrophobicContact CG-CE 4.31Å; W415-M511 HydrophobicContact CG-CG 4.3Å; W415-M511 HydrophobicContact CG-SD 4.43Å; W415-M511 VanDerWaalsContact CH2-CA 3.49Å; W415-M511 HydrophobicContact CH2-CB 3.84Å; W415-M511 HydrophobicContact CZ2-CB 4Å; W415-M511 HydrophobicContact CZ2-CG 4.29Å; W415-M511 HydrophobicContact CZ3-CB 3.77Å; W415-M511 HydrophobicContact CZ3-CG 4.48Å; V507-M511 PolarHBondContact O-N 3.24Å; W508-M511 PolarHBondContact O-N 3.45Å; M511-Y514 WeakPolarHBondContact O-CB 3.22Å; M511-Y514 PolarHBondContact O-N 3.12Å; M511-T515 WeakPolarHBondContact O-CB 3.41Å; M511-T515 PolarHBondContact O-N 2.66Å; M511-T515 PolarHBondContact O-OG1 2.78Å; M511-Y610 HydrophobicContact CE-CD2 4.12Å; M511-Y610 HydrophobicContact CE-CG 4.18Å
512R90.9Very high85.3Confident89 Ų8932.4 Ų32.434%0.33616%0.159SC..Hα-helixtrans-60.1-48.8174.7179174-172.7-1478110.6W508 L510 Y514 T515 L516 D530 M625W508-R512 HydrophobicContact CH2-CB 4.45Å; W508-R512 HydrophobicContact CZ2-CB 4.22Å; W508-R512 HydrophobicContact CZ2-CG 4.49Å; W508-R512 WeakPolarHBondContact O-CB 3.29Å; W508-R512 PolarHBondContact O-N 3.39Å; L510-R512 PolarHBondContact O-N 3.07Å; R512-Y514 PolarHBondContact O-N 3.2Å; R512-T515 PolarHBondContact O-N 2.91Å; R512-L516 HydrophobicContact CG-CD1 4Å; R512-L516 HydrophobicContact CG-CG 4.48Å; R512-L516 WeakPolarHBondContact O-CG 3.48Å; R512-L516 PolarHBondContact O-N 3.38Å; R512-D530 IonicContact CZ-OD1 3.73Å; R512-D530 IonicContact NH2-OD1 3.39Å; R512-D530 PolarHBondContact NH2-OD1 3.4Å; R512-D530 IonicContact NH2-OD2 2.79Å; R512-M625 HydrophobicContact CB-CE 4.4Å; R512-M625 HydrophobicContact CG-CE 3.72Å
513R89.3Confident83.1Confident70 Ų7032.6 Ų32.626%0.26417%0.17SC..Hα-helixtrans-62.7-42.8178.6-17257.2149.7147-5.5111.8I445 F485 Q509 L510 T515 L516 N517 E520I445-R513 HydrophobicContact CB-CG 4.17Å; I445-R513 HydrophobicContact CD1-CB 4.07Å; I445-R513 HydrophobicContact CD1-CG 3.87Å; F485-R513 HydrophobicContact CE1-CB 3.93Å; F485-R513 HydrophobicContact CE1-CG 4.2Å; F485-R513 HydrophobicContact CZ-CB 4.06Å; F485-R513 HydrophobicContact CZ-CG 4.44Å; Q509-R513 WeakPolarHBondContact O-CB 3.49Å; Q509-R513 PolarHBondContact O-N 3.37Å; L510-R513 PolarHBondContact O-N 3.03Å; R513-T515 VanDerWaalsContact C-N 3.32Å; R513-T515 PolarHBondContact O-N 2.93Å; R513-L516 PolarHBondContact O-N 3.26Å; R513-N517 WeakPolarHBondContact CD-OD1 3.36Å; R513-N517 PolarHBondContact NH1-OD1 2.96Å; R513-N517 WeakPolarHBondContact O-CB 3.34Å; R513-N517 PolarHBondContact O-N 3.34Å; R513-N517 PolarHBondContact O-OD1 2.94Å; R513-E520 IonicContact NH1-OE1 3.43Å; R513-E520 PolarHBondContact NH1-OE1 3.09Å; R513-E520 IonicContact NH1-OE2 2.81Å
514Y89.4Confident80.8Confident31 Ų3140.9 Ų40.912%0.12222%0.215CC..Hα-helixtrans-54.1-49.6173.4176.1-99.1000111.6W415 L419 I445 L510 M511 R512 L516 N517 V518W415-Y514 HydrophobicContact CZ2-CD1 4.32Å; W415-Y514 AromaticContact CZ2-CG 4Å; W415-Y514 HydrophobicContact CZ2-CG 4Å; W415-Y514 AromaticContact NE1-CD1 3.42Å; W415-Y514 AromaticContact NE1-CE1 3.71Å; W415-Y514 AromaticContact NE1-CG 3.92Å; L419-Y514 HydrophobicContact CD1-CD2 4.46Å; L419-Y514 HydrophobicContact CD1-CE2 4.33Å; L419-Y514 HydrophobicContact CD2-CE2 3.77Å; I445-Y514 HydrophobicContact CG2-CD2 4.24Å; I445-Y514 HydrophobicContact CG2-CG 4.44Å; L510-Y514 WeakPolarHBondContact O-CB 3.32Å; L510-Y514 PolarHBondContact O-N 3.44Å; M511-Y514 WeakPolarHBondContact O-CB 3.22Å; M511-Y514 PolarHBondContact O-N 3.12Å; R512-Y514 PolarHBondContact O-N 3.2Å; Y514-L516 PolarHBondContact O-N 3.49Å; Y514-N517 PolarHBondContact O-N 3Å; Y514-V518 PolarHBondContact O-N 2.82Å
515T85.8Confident78.6Confident9 Ų943.1 Ų43.16%0.05524%0.243CC..Hα-helixtrans-63.2-41.9-179.6-53.40000111.8M511 R512 R513 V518 A629M511-T515 WeakPolarHBondContact O-CB 3.41Å; M511-T515 PolarHBondContact O-N 2.66Å; M511-T515 PolarHBondContact O-OG1 2.78Å; R512-T515 PolarHBondContact O-N 2.91Å; R513-T515 VanDerWaalsContact C-N 3.32Å; R513-T515 PolarHBondContact O-N 2.93Å; T515-V518 WeakPolarHBondContact O-CB 3.28Å; T515-V518 PolarHBondContact O-N 2.91Å; T515-A629 HydrophobicContact CG2-CB 3.58Å
516L82.2Confident76.6Confident15 Ų1548.7 Ų48.78%0.07926%0.263CS..Hα-helixtrans-74.1-32.2179.9-65.1176.1000113R512 R513 Y514 V518 L519 E520 A528 I533R512-L516 HydrophobicContact CG-CD1 4Å; R512-L516 HydrophobicContact CG-CG 4.48Å; R512-L516 WeakPolarHBondContact O-CG 3.48Å; R512-L516 PolarHBondContact O-N 3.38Å; R513-L516 PolarHBondContact O-N 3.26Å; Y514-L516 PolarHBondContact O-N 3.49Å; L516-V518 PolarHBondContact O-N 3.4Å; L516-L519 HydrophobicContact CD2-CD1 4.07Å; L516-L519 WeakPolarHBondContact O-CA 3.25Å; L516-L519 VanDerWaalsContact O-CB 3.3Å; L516-L519 WeakPolarHBondContact O-CB 3.43Å; L516-L519 PolarHBondContact O-N 3.41Å; L516-E520 PolarHBondContact O-N 3.08Å; L516-A528 HydrophobicContact CD2-CB 3.98Å; L516-I533 HydrophobicContact CD2-CD1 4.04Å
517N79.9Confident74.9Confident13 Ų1355.6 Ų55.67%0.0729%0.293CS..Hα-helixtrans-62.8-31175.3-74.54.6000111.8I445 R513 Y514 L519 E520 D521I445-N517 VanDerWaalsContact C-ND2 3.35Å; I445-N517 PolarHBondContact O-ND2 2.81Å; R513-N517 WeakPolarHBondContact CD-OD1 3.36Å; R513-N517 PolarHBondContact NH1-OD1 2.96Å; R513-N517 WeakPolarHBondContact O-CB 3.34Å; R513-N517 PolarHBondContact O-N 3.34Å; R513-N517 PolarHBondContact O-OD1 2.94Å; Y514-N517 PolarHBondContact O-N 3Å; N517-L519 PolarHBondContact O-N 2.83Å; N517-E520 PolarHBondContact O-N 2.68Å; N517-D521 PolarHBondContact O-N 2.72Å
518V70.9Confident73.3Confident51 Ų5156.3 Ų56.331%0.30930%0.299SS..Hα-helixtrans-62-28.1171.91770000111.5Y514 T515 L516 L522Y514-V518 PolarHBondContact O-N 2.82Å; T515-V518 WeakPolarHBondContact O-CB 3.28Å; T515-V518 PolarHBondContact O-N 2.91Å; L516-V518 PolarHBondContact O-N 3.4Å; V518-L522 VanDerWaalsContact O-CD1 3.25Å; V518-L522 WeakPolarHBondContact O-CD1 3.24Å; V518-L522 WeakPolarHBondContact O-CG 3.23Å
519L69.8Low72.4Confident8 Ų858.3 Ų58.34%0.04231%0.312CS..Hα-helixtrans-84.6-35.6175.5-58.6178.6000112.9L516 N517 D521 L522 G523 A528 I533 A629 M632 G633L516-L519 HydrophobicContact CD2-CD1 4.07Å; L516-L519 WeakPolarHBondContact O-CA 3.25Å; L516-L519 VanDerWaalsContact O-CB 3.3Å; L516-L519 WeakPolarHBondContact O-CB 3.43Å; L516-L519 PolarHBondContact O-N 3.41Å; N517-L519 PolarHBondContact O-N 2.83Å; L519-D521 PolarHBondContact O-N 2.55Å; L519-L522 WeakPolarHBondContact O-CB 3.42Å; L519-L522 PolarHBondContact O-N 3.41Å; L519-G523 PolarHBondContact O-N 2.88Å; L519-A528 HydrophobicContact CB-CB 4.06Å; L519-A528 HydrophobicContact CD1-CB 3.82Å; L519-I533 HydrophobicContact CD1-CD1 4.33Å; L519-I533 HydrophobicContact CD1-CG1 4.28Å; L519-A629 HydrophobicContact CD1-CB 4.19Å; L519-A629 WeakPolarHBondContact CD2-O 3.37Å; L519-M632 HydrophobicContact CD1-SD 4.23Å; L519-M632 HydrophobicContact CD2-CB 4.13Å; L519-M632 HydrophobicContact CD2-CG 3.98Å; L519-M632 HydrophobicContact CD2-SD 4.43Å; L519-G633 VanDerWaalsContact CD2-CA 3.43Å; L519-G633 VanDerWaalsContact CD2-N 3.31Å
520E62.9Low71.9Confident64 Ų6459.3 Ų59.330%0.29932%0.319SS..Hα-helixtrans-61.1-33.9178-72.5-177.217400111.8R513 L516 N517 L522R513-E520 IonicContact NH1-OE1 3.43Å; R513-E520 PolarHBondContact NH1-OE1 3.09Å; R513-E520 IonicContact NH1-OE2 2.81Å; L516-E520 PolarHBondContact O-N 3.08Å; N517-E520 PolarHBondContact O-N 2.68Å; E520-L522 PolarHBondContact O-N 3.44Å
521D59.1Low71.5Confident111 Ų11164.6 Ų64.659%0.59435%0.347SS*.THydrogen-bonded Turntrans-70-5.8175-69.3-19.7000113.4K446 N517 L519K446-D521 IonicContact NZ-OD1 3.61Å; K446-D521 PolarHBondContact NZ-OD1 3.3Å; K446-D521 IonicContact NZ-OD2 3.95Å; K446-D521 PolarHBondContact NZ-OD2 2.96Å; N517-D521 PolarHBondContact O-N 2.72Å; L519-D521 PolarHBondContact O-N 2.55Å
522L55.3Low71.3Confident53 Ų5366.9 Ų66.928%0.27736%0.359SS..THydrogen-bonded Turntrans-118.9-3.7-173-61.4172.5000114.5V518 L519 E520 G633 M636 K637V518-L522 VanDerWaalsContact O-CD1 3.25Å; V518-L522 WeakPolarHBondContact O-CD1 3.24Å; V518-L522 WeakPolarHBondContact O-CG 3.23Å; L519-L522 WeakPolarHBondContact O-CB 3.42Å; L519-L522 PolarHBondContact O-N 3.41Å; E520-L522 PolarHBondContact O-N 3.44Å; L522-G633 WeakPolarHBondContact CD1-O 3.3Å; L522-M636 HydrophobicContact CB-CB 4.33Å; L522-M636 HydrophobicContact CD1-CB 4.39Å; L522-K637 HydrophobicContact CD1-CD 4.48Å; L522-K637 HydrophobicContact CD1-CG 3.89Å; L522-K637 HydrophobicContact CD2-CD 4.26Å; L522-K637 HydrophobicContact CD2-CG 3.39Å; L522-K637 HydrophobicContact CG-CG 4.3Å
523G51.6Low71.3Confident41 Ų4162.6 Ų62.642%0.42334%0.343SS..SBendtrans-122.3164.9-177.700000113.6L519 G525L519-G523 PolarHBondContact O-N 2.88Å; G523-G525 PolarHBondContact O-N 3.01Å
524D47Very low71.6Confident178 Ų17860 Ų6095%0.95233%0.334SS*.SBendtrans-69.839176.6-74.5-32.7000113.8
525G49.8Very low71.8Confident68 Ų6863.5 Ų63.570%0.70136%0.355SS*.SBendtrans81.410175.600000116.3G523G523-G525 PolarHBondContact O-N 3.01Å
526Q52.8Low72.2Confident149 Ų14964.1 Ų64.170%0.69636%0.357SS*.  trans-76.8126.9169.8-69.7-170-2.300111A528Q526-A528 PolarHBondContact O-N 3.33Å; Q526-A528 VanDerWaalsContact O-N 3.13Å
527K60.1Low72.9Confident145 Ų14563.4 Ų63.463%0.6335%0.353SS*.  trans-66.5111.2172.8-69.9-176.5179.2177.90109.4N529 I532K527-N529 PolarHBondContact O-N 3.41Å; K527-I532 WeakPolarHBondContact O-CD1 3.31Å
528A64.2Low73.8Confident15 Ų1564.8 Ų64.812%0.12436%0.36CS..  trans-58.2123.3176.400000110.4L516 L519 Q526L516-A528 HydrophobicContact CD2-CB 3.98Å; L519-A528 HydrophobicContact CB-CB 4.06Å; L519-A528 HydrophobicContact CD1-CB 3.82Å; Q526-A528 PolarHBondContact O-N 3.33Å; Q526-A528 VanDerWaalsContact O-N 3.13Å
529N75.7Confident75Confident73 Ų7369 Ų6939%0.3937%0.371SS..  trans-121.8172.2171.669.510.9000109.5K527 D531 I532 I533K527-N529 PolarHBondContact O-N 3.41Å; N529-D531 VanDerWaalsContact C-N 3.26Å; N529-D531 PolarHBondContact O-N 3.16Å; N529-D531 PolarHBondContact OD1-N 3.01Å; N529-I532 PolarHBondContact O-N 2.99Å; N529-I532 VanDerWaalsContact O-N 3.16Å; N529-I532 WeakPolarHBondContact OD1-CB 3.44Å; N529-I532 WeakPolarHBondContact OD1-CD1 3.39Å; N529-I532 WeakPolarHBondContact OD1-CG1 3.31Å; N529-I532 PolarHBondContact OD1-N 2.94Å; N529-I533 PolarHBondContact O-N 3.03Å
530D84.6Confident76.3Confident60 Ų6069.6 Ų69.632%0.32138%0.375SS..Hα-helixtrans-56.1-40.3-175.1-65.823.3000112.1R512 I533 V534 F553R512-D530 IonicContact CZ-OD1 3.73Å; R512-D530 IonicContact NH2-OD1 3.39Å; R512-D530 PolarHBondContact NH2-OD1 3.4Å; R512-D530 IonicContact NH2-OD2 2.79Å; D530-I533 PolarHBondContact O-N 3Å; D530-V534 WeakPolarHBondContact O-CG2 3.26Å; D530-V534 PolarHBondContact O-N 2.82Å; D530-F553 HydrophobicContact CB-CD2 4.33Å; D530-F553 HydrophobicContact CB-CE2 3.66Å
531D87.4Confident77.9Confident111 Ų11166.6 Ų66.659%0.59436%0.361SS*.Hα-helixtrans-66.4-39.9179.3-62.8-33.9000112.5N529 I533 V534 N535N529-D531 VanDerWaalsContact C-N 3.26Å; N529-D531 PolarHBondContact O-N 3.16Å; N529-D531 PolarHBondContact OD1-N 3.01Å; D531-I533 VanDerWaalsContact C-N 3.3Å; D531-I533 PolarHBondContact O-N 3.19Å; D531-V534 PolarHBondContact O-N 2.81Å; D531-N535 VanDerWaalsContact O-CB 3.28Å; D531-N535 WeakPolarHBondContact O-CB 3.38Å; D531-N535 PolarHBondContact O-N 2.82Å; D531-N535 PolarHBondContact O-ND2 3.25Å
532I88.2Confident79.8Confident50 Ų5065.6 Ų65.626%0.25636%0.362SS..Hα-helixtrans-60.2-43.2176.3-73.6164.6000110.3K527 N529 W536 M632K527-I532 WeakPolarHBondContact O-CD1 3.31Å; N529-I532 PolarHBondContact O-N 2.99Å; N529-I532 VanDerWaalsContact O-N 3.16Å; N529-I532 WeakPolarHBondContact OD1-CB 3.44Å; N529-I532 WeakPolarHBondContact OD1-CD1 3.39Å; N529-I532 WeakPolarHBondContact OD1-CG1 3.31Å; N529-I532 PolarHBondContact OD1-N 2.94Å; I532-W536 VanDerWaalsContact O-CB 3.31Å; I532-W536 WeakPolarHBondContact O-CB 3.11Å; I532-W536 PolarHBondContact O-N 3.5Å; I532-M632 HydrophobicContact CG2-CE 4.02Å
533I91.5Very high81.7Confident0 Ų070 Ų700%038%0.381CS..Hα-helixtrans-66.4-48.9179.7-62162.5000110.2L516 L519 N529 D530 D531 N535 W536 V537 F553 M625 F628 A629 M632L516-I533 HydrophobicContact CD2-CD1 4.04Å; L519-I533 HydrophobicContact CD1-CD1 4.33Å; L519-I533 HydrophobicContact CD1-CG1 4.28Å; N529-I533 PolarHBondContact O-N 3.03Å; D530-I533 PolarHBondContact O-N 3Å; D531-I533 VanDerWaalsContact C-N 3.3Å; D531-I533 PolarHBondContact O-N 3.19Å; I533-N535 VanDerWaalsContact C-N 3.35Å; I533-N535 PolarHBondContact O-N 3.31Å; I533-W536 PolarHBondContact O-N 3.47Å; I533-V537 HydrophobicContact CG2-CG2 4.4Å; I533-V537 VanDerWaalsContact O-CG2 3.3Å; I533-V537 WeakPolarHBondContact O-CG2 3.4Å; I533-V537 PolarHBondContact O-N 2.86Å; I533-F553 HydrophobicContact CB-CZ 3.92Å; I533-F553 HydrophobicContact CD1-CZ 4.37Å; I533-F553 HydrophobicContact CG2-CE1 4.05Å; I533-F553 HydrophobicContact CG2-CZ 3.74Å; I533-M625 HydrophobicContact CD1-CG 4.49Å; I533-M625 HydrophobicContact CD1-SD 4.49Å; I533-F628 HydrophobicContact CG2-CB 3.87Å; I533-A629 HydrophobicContact CD1-CB 3.98Å; I533-M632 HydrophobicContact CB-SD 4.29Å; I533-M632 HydrophobicContact CG1-SD 3.91Å; I533-M632 HydrophobicContact CG2-SD 4.44Å
534V95Very high83.9Confident14 Ų1470.3 Ų70.39%0.08538%0.38CS..Hα-helixtrans-60.1-44.7179.7170.10000111.4D530 D531 W536 V537 N538 I550 F553D530-V534 WeakPolarHBondContact O-CG2 3.26Å; D530-V534 PolarHBondContact O-N 2.82Å; D531-V534 PolarHBondContact O-N 2.81Å; V534-W536 PolarHBondContact O-N 3.33Å; V534-V537 PolarHBondContact O-N 3.21Å; V534-N538 PolarHBondContact O-N 3.48Å; V534-N538 PolarHBondContact O-ND2 3.29Å; V534-I550 HydrophobicContact CG1-CG1 4.34Å; V534-I550 HydrophobicContact CG2-CD1 4.35Å; V534-F553 HydrophobicContact CG2-CD1 4.35Å; V534-F553 HydrophobicContact CG2-CE1 3.83Å; V534-F553 HydrophobicContact CG2-CE2 4.4Å; V534-F553 HydrophobicContact CG2-CZ 3.87Å
535N94.5Very high86.2Confident106 Ų10665.2 Ų65.257%0.56737%0.37SS*.Hα-helixtrans-63-42.4176.9-73-33000111.9D531 I533 N538 R539D531-N535 VanDerWaalsContact O-CB 3.28Å; D531-N535 WeakPolarHBondContact O-CB 3.38Å; D531-N535 PolarHBondContact O-N 2.82Å; D531-N535 PolarHBondContact O-ND2 3.25Å; I533-N535 VanDerWaalsContact C-N 3.35Å; I533-N535 PolarHBondContact O-N 3.31Å; N535-N538 PolarHBondContact O-N 3.31Å; N535-R539 VanDerWaalsContact O-CB 3.3Å; N535-R539 WeakPolarHBondContact O-CB 3.29Å; N535-R539 PolarHBondContact O-N 3.45Å
536W94.1Very high88.5Confident21 Ų2164.2 Ų64.28%0.0835%0.346CS..Hα-helixtrans-62.2-43.9175.817787.8000111.9I532 I533 V534 R539 T540 L567 I571 M632I532-W536 VanDerWaalsContact O-CB 3.31Å; I532-W536 WeakPolarHBondContact O-CB 3.11Å; I532-W536 PolarHBondContact O-N 3.5Å; I533-W536 PolarHBondContact O-N 3.47Å; V534-W536 PolarHBondContact O-N 3.33Å; W536-R539 PolarHBondContact O-N 3.29Å; W536-T540 VanDerWaalsContact CE2-OG1 3.28Å; W536-T540 HydrophobicContact CH2-CG2 4.33Å; W536-T540 HydrophobicContact CZ2-CG2 4.25Å; W536-T540 WeakPolarHBondContact CZ2-OG1 3.18Å; W536-T540 WeakPolarHBondContact O-CB 3.43Å; W536-T540 PolarHBondContact O-N 3.29Å; W536-T540 PolarHBondContact O-OG1 2.91Å; W536-L567 HydrophobicContact CH2-CD1 4.06Å; W536-L567 HydrophobicContact CZ3-CD1 3.88Å; W536-L567 HydrophobicContact CZ3-CD2 4.14Å; W536-L567 HydrophobicContact CZ3-CG 4.46Å; W536-I571 HydrophobicContact CH2-CD1 4.01Å; W536-I571 HydrophobicContact CH2-CG1 4.08Å; W536-M632 HydrophobicContact CB-CE 3.77Å; W536-M632 HydrophobicContact CB-SD 3.98Å; W536-M632 HydrophobicContact CD2-CB 3.99Å; W536-M632 HydrophobicContact CD2-CE 4.32Å; W536-M632 HydrophobicContact CD2-CG 3.54Å; W536-M632 HydrophobicContact CD2-SD 4.04Å; W536-M632 HydrophobicContact CE3-CB 3.54Å; W536-M632 HydrophobicContact CE3-CG 3.64Å; W536-M632 HydrophobicContact CE3-SD 4.17Å; W536-M632 HydrophobicContact CG-CE 3.71Å; W536-M632 HydrophobicContact CG-CG 3.96Å; W536-M632 HydrophobicContact CG-SD 3.94Å; W536-M632 VanDerWaalsContact CH2-CA 3.43Å; W536-M632 HydrophobicContact CH2-CB 4.09Å; W536-M632 HydrophobicContact CH2-CG 4.47Å; W536-M632 HydrophobicContact CZ2-CB 4.44Å; W536-M632 HydrophobicContact CZ2-CG 4.35Å; W536-M632 VanDerWaalsContact CZ3-CA 3.4Å; W536-M632 HydrophobicContact CZ3-CB 3.6Å; W536-M632 HydrophobicContact CZ3-CG 4.11Å
537V96.6Very high90.4Very high0 Ų062.9 Ų62.90%035%0.353CS..Hα-helixtrans-57.9-53.4177.3168.50000110.4I533 V534 R539 T540 L541 I550 L567 F628I533-V537 HydrophobicContact CG2-CG2 4.4Å; I533-V537 VanDerWaalsContact O-CG2 3.3Å; I533-V537 WeakPolarHBondContact O-CG2 3.4Å; I533-V537 PolarHBondContact O-N 2.86Å; V534-V537 PolarHBondContact O-N 3.21Å; V537-R539 PolarHBondContact O-N 2.98Å; V537-T540 PolarHBondContact O-N 3.49Å; V537-L541 HydrophobicContact CG1-CD1 3.68Å; V537-L541 HydrophobicContact CG1-CG 4.44Å; V537-L541 WeakPolarHBondContact O-CG 3.38Å; V537-L541 PolarHBondContact O-N 2.86Å; V537-I550 HydrophobicContact CB-CD1 4.22Å; V537-I550 HydrophobicContact CB-CG1 4.49Å; V537-I550 HydrophobicContact CG1-CD1 3.86Å; V537-I550 HydrophobicContact CG1-CG1 3.95Å; V537-I550 HydrophobicContact CG2-CD1 4.4Å; V537-L567 HydrophobicContact CG1-CD1 4.49Å; V537-L567 HydrophobicContact CG1-CD2 4.1Å; V537-L567 HydrophobicContact CG2-CD2 3.91Å; V537-F628 HydrophobicContact CB-CD1 4.48Å; V537-F628 HydrophobicContact CG1-CD1 4.1Å; V537-F628 HydrophobicContact CG1-CE1 3.97Å; V537-F628 HydrophobicContact CG2-CB 4.13Å; V537-F628 HydrophobicContact CG2-CD1 3.52Å; V537-F628 HydrophobicContact CG2-CE1 4.24Å; V537-F628 HydrophobicContact CG2-CG 4.09Å
538N97.9Very high92.2Very high43 Ų4357.3 Ų57.323%0.2333%0.331CS..Hα-helixtrans-65.6-37.6-177.2-70.4-33.9000112.5V534 N535 S542 S549 I550V534-N538 PolarHBondContact O-N 3.48Å; V534-N538 PolarHBondContact O-ND2 3.29Å; N535-N538 PolarHBondContact O-N 3.31Å; N538-S542 VanDerWaalsContact O-CB 3.28Å; N538-S542 WeakPolarHBondContact O-CB 3.45Å; N538-S542 PolarHBondContact O-N 3.17Å; N538-S549 WeakPolarHBondContact OD1-CA 3.23Å; N538-S549 WeakPolarHBondContact OD1-CB 3.43Å; N538-I550 PolarHBondContact ND2-O 3.44Å; N538-I550 PolarHBondContact OD1-N 3.35Å; N538-I550 PolarHBondContact OD1-O 3.06Å
539R96.9Very high93.7Very high139 Ų13960 Ų6053%0.52535%0.35SS..Hα-helixtrans-62.3-48.4173.7-176.4178.667.9-176.82.7111.1N535 W536 V537 L541 S542 E543N535-R539 VanDerWaalsContact O-CB 3.3Å; N535-R539 WeakPolarHBondContact O-CB 3.29Å; N535-R539 PolarHBondContact O-N 3.45Å; W536-R539 PolarHBondContact O-N 3.29Å; V537-R539 PolarHBondContact O-N 2.98Å; R539-L541 VanDerWaalsContact C-N 3.35Å; R539-L541 PolarHBondContact O-N 3.29Å; R539-S542 PolarHBondContact O-N 2.86Å; R539-E543 WeakPolarHBondContact CD-OE1 3.41Å; R539-E543 HydrophobicContact CG-CG 4.28Å; R539-E543 VanDerWaalsContact CG-OE1 3.23Å; R539-E543 WeakPolarHBondContact CG-OE1 3.04Å; R539-E543 WeakPolarHBondContact O-CB 3.45Å; R539-E543 WeakPolarHBondContact O-CG 3.41Å; R539-E543 PolarHBondContact O-N 2.88Å
540T96.9Very high94.7Very high20 Ų2056.7 Ų56.712%0.12333%0.331CS..Hα-helixtrans-61.8-42.3-179.1-55.30000111.6W536 V537 A544 L567 A570W536-T540 VanDerWaalsContact CE2-OG1 3.28Å; W536-T540 HydrophobicContact CH2-CG2 4.33Å; W536-T540 HydrophobicContact CZ2-CG2 4.25Å; W536-T540 WeakPolarHBondContact CZ2-OG1 3.18Å; W536-T540 WeakPolarHBondContact O-CB 3.43Å; W536-T540 PolarHBondContact O-N 3.29Å; W536-T540 PolarHBondContact O-OG1 2.91Å; V537-T540 PolarHBondContact O-N 3.49Å; T540-A544 WeakPolarHBondContact O-CB 3.45Å; T540-A544 PolarHBondContact O-N 3.46Å; T540-A544 VanDerWaalsContact O-N 3.16Å; T540-L567 HydrophobicContact CG2-CD1 3.87Å; T540-A570 HydrophobicContact CG2-CB 4.05Å
541L97.8Very high95.3Very high1 Ų162 Ų621%0.00535%0.354CS..Hα-helixtrans-63.3-46.2175.3-71.4168000111.7V537 R539 A544 G545 K546 T548 D566 L567V537-L541 HydrophobicContact CG1-CD1 3.68Å; V537-L541 HydrophobicContact CG1-CG 4.44Å; V537-L541 WeakPolarHBondContact O-CG 3.38Å; V537-L541 PolarHBondContact O-N 2.86Å; R539-L541 VanDerWaalsContact C-N 3.35Å; R539-L541 PolarHBondContact O-N 3.29Å; L541-A544 CarbonylContact O-C 3.15Å; L541-A544 PolarHBondContact O-N 2.97Å; L541-G545 PolarHBondContact O-N 3.47Å; L541-K546 HydrophobicContact CB-CB 4.23Å; L541-K546 HydrophobicContact CD2-CB 3.96Å; L541-K546 HydrophobicContact CD2-CG 4.14Å; L541-K546 WeakPolarHBondContact O-CB 3.49Å; L541-K546 PolarHBondContact O-N 3.05Å; L541-T548 WeakPolarHBondContact CD1-O 3.39Å; L541-D566 HydrophobicContact CD2-CB 3.71Å; L541-L567 HydrophobicContact CD2-CB 4.01Å; L541-L567 HydrophobicContact CD2-CD1 4.49Å; L541-L567 HydrophobicContact CG-CD1 4.35Å
542S97.5Very high95.7Very high90 Ų9059 Ų5963%0.62934%0.342SS*.Hα-helixtrans-63.5-45.9179.5-176.40000112.5N538 R539 A544 G545N538-S542 VanDerWaalsContact O-CB 3.28Å; N538-S542 WeakPolarHBondContact O-CB 3.45Å; N538-S542 PolarHBondContact O-N 3.17Å; R539-S542 PolarHBondContact O-N 2.86Å; S542-A544 PolarHBondContact O-N 3.39Å; S542-G545 PolarHBondContact O-N 3.04Å
543E96.8Very high96.1Very high145 Ų14557.1 Ų57.168%0.67833%0.332SS*.Hα-helixtrans-62.3-31.6177.1-73.9172178.800112.3R539 G545R539-E543 WeakPolarHBondContact CD-OE1 3.41Å; R539-E543 HydrophobicContact CG-CG 4.28Å; R539-E543 VanDerWaalsContact CG-OE1 3.23Å; R539-E543 WeakPolarHBondContact CG-OE1 3.04Å; R539-E543 WeakPolarHBondContact O-CB 3.45Å; R539-E543 WeakPolarHBondContact O-CG 3.41Å; R539-E543 PolarHBondContact O-N 2.88Å; E543-G545 VanDerWaalsContact C-N 3.28Å; E543-G545 PolarHBondContact O-N 3.45Å
544A96.5Very high96.3Very high49 Ų4964.5 Ų64.541%0.40536%0.364SS..THydrogen-bonded Turntrans-83.32.6173.700000113.9T540 L541 S542 K546 A570T540-A544 WeakPolarHBondContact O-CB 3.45Å; T540-A544 PolarHBondContact O-N 3.46Å; T540-A544 VanDerWaalsContact O-N 3.16Å; L541-A544 CarbonylContact O-C 3.15Å; L541-A544 PolarHBondContact O-N 2.97Å; S542-A544 PolarHBondContact O-N 3.39Å; A544-K546 VanDerWaalsContact C-N 3.29Å; A544-K546 HydrophobicContact CB-CG 4.17Å; A544-K546 PolarHBondContact O-N 3.41Å; A544-A570 HydrophobicContact CB-CB 3.51Å
545G96.6Very high96.4Very high70 Ų7065 Ų6572%0.72237%0.366SS*.THydrogen-bonded Turntrans69.821.3-179.900000114.5L541 S542 E543L541-G545 PolarHBondContact O-N 3.47Å; S542-G545 PolarHBondContact O-N 3.04Å; E543-G545 VanDerWaalsContact C-N 3.28Å; E543-G545 PolarHBondContact O-N 3.45Å
546K96.4Very high96.5Very high47 Ų4766.9 Ų66.920%0.20437%0.37CS..  trans-82.2143.8176.7-56.6-65.5-176.71740110.3L541 A544 D566 D569 Y578L541-K546 HydrophobicContact CB-CB 4.23Å; L541-K546 HydrophobicContact CD2-CB 3.96Å; L541-K546 HydrophobicContact CD2-CG 4.14Å; L541-K546 WeakPolarHBondContact O-CB 3.49Å; L541-K546 PolarHBondContact O-N 3.05Å; A544-K546 VanDerWaalsContact C-N 3.29Å; A544-K546 HydrophobicContact CB-CG 4.17Å; A544-K546 PolarHBondContact O-N 3.41Å; K546-D566 HydrophobicContact CB-CB 4.24Å; K546-D566 HydrophobicContact CD-CB 4.09Å; K546-D566 HydrophobicContact CG-CB 4.06Å; K546-D569 WeakPolarHBondContact CE-OD2 3.45Å; K546-D569 IonicContact NZ-OD2 3.67Å; K546-D569 PolarHBondContact NZ-OD2 3.5Å; K546-Y578 PolarHBondContact NZ-OH 3.46Å
547S93.8Very high96.5Very high121 Ų12169.6 Ų69.685%0.84639%0.388SS*.  trans-88.4-14.1-179.456.30000114
548T96.6Very high96.6Very high29 Ų2969.6 Ų69.618%0.17839%0.388CS..  trans-74.7146.817857.40000111.5L541 L562 D566L541-T548 WeakPolarHBondContact CD1-O 3.39Å; T548-L562 HydrophobicContact CG2-CB 4.17Å; T548-D566 WeakPolarHBondContact CG2-OD2 3.27Å; T548-D566 WeakPolarHBondContact OG1-CB 3.45Å; T548-D566 PolarHBondContact OG1-OD2 3.3Å
549S96.8Very high96.6Very high72 Ų7268.4 Ų68.450%0.50338%0.384SS..  trans-149.7160.4173.462.20000109.9N538N538-S549 WeakPolarHBondContact OD1-CA 3.23Å; N538-S549 WeakPolarHBondContact OD1-CB 3.43Å
550I97.4Very high96.6Very high2 Ų262.8 Ų62.81%0.0137%0.365CS..  trans-122.8140.8173.960.9170.6000110.9V534 V537 N538 I558 A563 F628V534-I550 HydrophobicContact CG1-CG1 4.34Å; V534-I550 HydrophobicContact CG2-CD1 4.35Å; V537-I550 HydrophobicContact CB-CD1 4.22Å; V537-I550 HydrophobicContact CB-CG1 4.49Å; V537-I550 HydrophobicContact CG1-CD1 3.86Å; V537-I550 HydrophobicContact CG1-CG1 3.95Å; V537-I550 HydrophobicContact CG2-CD1 4.4Å; N538-I550 PolarHBondContact ND2-O 3.44Å; N538-I550 PolarHBondContact OD1-N 3.35Å; N538-I550 PolarHBondContact OD1-O 3.06Å; I550-I558 HydrophobicContact CB-CD1 4.45Å; I550-I558 HydrophobicContact CG2-CD1 4.02Å; I550-I558 HydrophobicContact CG2-CG1 3.76Å; I550-A563 HydrophobicContact CG2-CB 3.9Å; I550-F628 HydrophobicContact CD1-CD1 4.34Å; I550-F628 HydrophobicContact CD1-CD2 4.1Å; I550-F628 HydrophobicContact CD1-CE1 4.13Å; I550-F628 HydrophobicContact CD1-CE2 3.88Å; I550-F628 HydrophobicContact CD1-CG 4.34Å; I550-F628 HydrophobicContact CD1-CZ 3.89Å; I550-F628 HydrophobicContact CG2-CZ 4.21Å
551Q95.7Very high96.7Very high171 Ų17161.8 Ų61.880%0.79936%0.36SS*.SBendtrans-89.2-31.6175.6-62.7-178.95.200112.8D555Q551-D555 PolarHBondContact N-OD2 3Å
552S96.3Very high96.7Very high48 Ų4863.5 Ų63.534%0.33637%0.369SS..SBendtrans-165.6173.9177.368.90000109.5K554 D555 I558S552-K554 PolarHBondContact O-N 3.44Å; S552-K554 VanDerWaalsContact O-N 3.07Å; S552-K554 PolarHBondContact OG-N 2.96Å; S552-D555 WeakPolarHBondContact O-CB 3.33Å; S552-D555 PolarHBondContact O-N 3.06Å; S552-D555 VanDerWaalsContact O-N 3.1Å; S552-I558 WeakPolarHBondContact O-CD1 3.03Å
553F95.9Very high96.7Very high12 Ų1259.4 Ų59.45%0.05334%0.34CS..THydrogen-bonded Turntrans-69.80.1172.3-51.8-50.4000114.5D530 I533 V534 P621 V624 M625 F628D530-F553 HydrophobicContact CB-CD2 4.33Å; D530-F553 HydrophobicContact CB-CE2 3.66Å; I533-F553 HydrophobicContact CB-CZ 3.92Å; I533-F553 HydrophobicContact CD1-CZ 4.37Å; I533-F553 HydrophobicContact CG2-CE1 4.05Å; I533-F553 HydrophobicContact CG2-CZ 3.74Å; V534-F553 HydrophobicContact CG2-CD1 4.35Å; V534-F553 HydrophobicContact CG2-CE1 3.83Å; V534-F553 HydrophobicContact CG2-CE2 4.4Å; V534-F553 HydrophobicContact CG2-CZ 3.87Å; F553-P621 HydrophobicContact CB-CB 4.41Å; F553-V624 HydrophobicContact CB-CB 4.39Å; F553-V624 HydrophobicContact CB-CG1 4.02Å; F553-V624 HydrophobicContact CD1-CG1 4.15Å; F553-M625 HydrophobicContact CB-CB 4.44Å; F553-M625 HydrophobicContact CD1-CB 4.23Å; F553-M625 HydrophobicContact CD2-CB 3.5Å; F553-M625 HydrophobicContact CD2-CG 3.68Å; F553-M625 HydrophobicContact CE1-CB 4.36Å; F553-M625 HydrophobicContact CE1-CG 4.42Å; F553-M625 HydrophobicContact CE2-CB 3.64Å; F553-M625 HydrophobicContact CE2-CG 3.27Å; F553-M625 HydrophobicContact CG-CB 3.8Å; F553-M625 HydrophobicContact CG-CG 4.39Å; F553-M625 HydrophobicContact CZ-CB 4.07Å; F553-M625 HydrophobicContact CZ-CG 3.7Å; F553-F628 HydrophobicContact CD1-CD2 4.03Å; F553-F628 HydrophobicContact CE1-CB 4.08Å; F553-F628 HydrophobicContact CE1-CD2 4.06Å; F553-F628 HydrophobicContact CE1-CG 4.38Å
554K96.6Very high96.8Very high154 Ų15452.6 Ų52.667%0.6731%0.308SS*.THydrogen-bonded Turntrans-101.9-1.2173.6-61179.4-178.5177.60112.6S552 K556 P621S552-K554 PolarHBondContact O-N 3.44Å; S552-K554 VanDerWaalsContact O-N 3.07Å; S552-K554 PolarHBondContact OG-N 2.96Å; K554-K556 PolarHBondContact O-N 3.33Å; K554-P621 HydrophobicContact CG-CB 3.99Å; K554-P621 HydrophobicContact CG-CG 3.68Å
555D96.4Very high96.8Very high24 Ų2450.2 Ų50.213%0.12829%0.289CS..  trans-62.2121.9-176.6-170.5-28.9000110.9Q551 S552 T557 I558 V619Q551-D555 PolarHBondContact N-OD2 3Å; S552-D555 WeakPolarHBondContact O-CB 3.33Å; S552-D555 PolarHBondContact O-N 3.06Å; S552-D555 VanDerWaalsContact O-N 3.1Å; D555-T557 PolarHBondContact O-N 3.32Å; D555-T557 WeakPolarHBondContact OD1-CB 3.48Å; D555-T557 WeakPolarHBondContact OD1-CG2 3.33Å; D555-T557 PolarHBondContact OD1-N 3.01Å; D555-T557 PolarHBondContact OD1-OG1 3.4Å; D555-I558 HydrophobicContact CB-CD1 3.93Å; D555-I558 HydrophobicContact CB-CG1 4.16Å; D555-I558 VanDerWaalsContact O-CB 3.29Å; D555-I558 WeakPolarHBondContact O-CB 3.43Å; D555-I558 VanDerWaalsContact O-CG1 3.31Å; D555-I558 WeakPolarHBondContact O-CG1 3.2Å; D555-I558 PolarHBondContact O-N 3.29Å; D555-V619 WeakPolarHBondContact O-CG1 3.26Å
556K96.2Very high96.9Very high147 Ų14747.7 Ų47.764%0.63926%0.259SS*.G310 helixtrans-67.8-19.8-175.5-67.4-59.6-173.2-179.30113.4K554 I558 S559 V619K554-K556 PolarHBondContact O-N 3.33Å; K556-I558 PolarHBondContact O-N 2.91Å; K556-S559 WeakPolarHBondContact O-CB 3.33Å; K556-S559 PolarHBondContact O-N 3.33Å; K556-S559 PolarHBondContact O-OG 3.1Å; K556-V619 HydrophobicContact CD-CG2 4.38Å
557T95.6Very high97Very high77 Ų7745.4 Ų45.447%0.47225%0.249SC..G310 helixtrans-64.1-23.9175.262.20000112.4D555 S559 S560D555-T557 PolarHBondContact O-N 3.32Å; D555-T557 WeakPolarHBondContact OD1-CB 3.48Å; D555-T557 WeakPolarHBondContact OD1-CG2 3.33Å; D555-T557 PolarHBondContact OD1-N 3.01Å; D555-T557 PolarHBondContact OD1-OG1 3.4Å; T557-S559 PolarHBondContact O-N 2.99Å; T557-S560 WeakPolarHBondContact O-CB 3.05Å; T557-S560 PolarHBondContact O-N 3.27Å; T557-S560 VanDerWaalsContact O-N 3.16Å; T557-S560 PolarHBondContact O-OG 3.2Å
558I97.8Very high97.2Very high0 Ų039.7 Ų39.70%021%0.209CC..G310 helixtrans-60.7-27.5176.4-61.2171.7000111.6I550 S552 D555 K556 S560 S561 L616 V619 V624 F628I550-I558 HydrophobicContact CB-CD1 4.45Å; I550-I558 HydrophobicContact CG2-CD1 4.02Å; I550-I558 HydrophobicContact CG2-CG1 3.76Å; S552-I558 WeakPolarHBondContact O-CD1 3.03Å; D555-I558 HydrophobicContact CB-CD1 3.93Å; D555-I558 HydrophobicContact CB-CG1 4.16Å; D555-I558 VanDerWaalsContact O-CB 3.29Å; D555-I558 WeakPolarHBondContact O-CB 3.43Å; D555-I558 VanDerWaalsContact O-CG1 3.31Å; D555-I558 WeakPolarHBondContact O-CG1 3.2Å; D555-I558 PolarHBondContact O-N 3.29Å; K556-I558 PolarHBondContact O-N 2.91Å; I558-S560 PolarHBondContact O-N 3.31Å; I558-S561 WeakPolarHBondContact O-CA 3.17Å; I558-S561 PolarHBondContact O-N 3.38Å; I558-L616 HydrophobicContact CG2-CD2 4.3Å; I558-V619 HydrophobicContact CB-CG1 4.42Å; I558-V619 HydrophobicContact CB-CG2 4.45Å; I558-V624 HydrophobicContact CD1-CG1 3.72Å; I558-V624 HydrophobicContact CG2-CG1 4.04Å; I558-V624 HydrophobicContact CG2-CG2 4.24Å; I558-F628 HydrophobicContact CD1-CE2 4.12Å
559S97.5Very high97.3Very high19 Ų1939.2 Ų39.213%0.13321%0.205CC..G310 helixtrans-56.9-24.417764.70000113.8K556 T557 S561 K591 L616 V617K556-S559 WeakPolarHBondContact O-CB 3.33Å; K556-S559 PolarHBondContact O-N 3.33Å; K556-S559 PolarHBondContact O-OG 3.1Å; T557-S559 PolarHBondContact O-N 2.99Å; S559-S561 VanDerWaalsContact C-N 3.28Å; S559-S561 PolarHBondContact O-N 2.74Å; S559-K591 WeakPolarHBondContact O-CB 3.45Å; S559-K591 WeakPolarHBondContact O-CG 3.37Å; S559-L616 WeakPolarHBondContact CA-O 2.97Å; S559-V617 WeakPolarHBondContact CB-O 3.4Å
560S97.6Very high97.3Very high20 Ų2036.8 Ų36.814%0.1419%0.189CC..G310 helixtrans-74.1-16.6174.7690000114.3T557 I558 L562 N594T557-S560 WeakPolarHBondContact O-CB 3.05Å; T557-S560 PolarHBondContact O-N 3.27Å; T557-S560 VanDerWaalsContact O-N 3.16Å; T557-S560 PolarHBondContact O-OG 3.2Å; I558-S560 PolarHBondContact O-N 3.31Å; S560-L562 PolarHBondContact O-N 3.46Å; S560-L562 VanDerWaalsContact O-N 3.07Å; S560-L562 PolarHBondContact OG-N 3.28Å; S560-N594 WeakPolarHBondContact O-CB 3.16Å; S560-N594 PolarHBondContact O-ND2 3.2Å
561S98.3Very high97.2Very high0 Ų037 Ų370%019%0.191CC..  trans583.5-167.6-580000115.7I558 S559 A563 V564 V565 A595I558-S561 WeakPolarHBondContact O-CA 3.17Å; I558-S561 PolarHBondContact O-N 3.38Å; S559-S561 VanDerWaalsContact C-N 3.28Å; S559-S561 PolarHBondContact O-N 2.74Å; S561-A563 PolarHBondContact O-N 3.01Å; S561-V564 WeakPolarHBondContact O-CB 3.48Å; S561-V564 PolarHBondContact O-N 3.05Å; S561-V564 VanDerWaalsContact O-N 3.09Å; S561-V565 WeakPolarHBondContact O-CG2 3.33Å; S561-V565 PolarHBondContact O-N 3.44Å; S561-A595 VanDerWaalsContact OG-CA 3.29Å; S561-A595 WeakPolarHBondContact OG-CA 3.45Å; S561-A595 WeakPolarHBondContact OG-CB 3.39Å
562L98Very high97.2Very high37 Ų3729.5 Ų29.519%0.19416%0.155CC..Hα-helixtrans-62.3-43.2-177.5-66.1176.2000112.2T548 S560 V564 V565 D566 V581T548-L562 HydrophobicContact CG2-CB 4.17Å; S560-L562 PolarHBondContact O-N 3.46Å; S560-L562 VanDerWaalsContact O-N 3.07Å; S560-L562 PolarHBondContact OG-N 3.28Å; L562-V564 PolarHBondContact O-N 2.91Å; L562-V565 PolarHBondContact O-N 3.01Å; L562-D566 WeakPolarHBondContact O-CB 3.32Å; L562-D566 PolarHBondContact O-N 2.95Å; L562-V581 HydrophobicContact CD2-CG1 3.65Å
563A97.9Very high97.1Very high4 Ų431.8 Ų31.83%0.03317%0.169CC..Hα-helixtrans-62.8-31.6176.200000112.8I550 S561 L567I550-A563 HydrophobicContact CG2-CB 3.9Å; S561-A563 PolarHBondContact O-N 3.01Å; A563-L567 WeakPolarHBondContact O-CB 3.48Å; A563-L567 PolarHBondContact O-N 3.49Å; A563-L567 VanDerWaalsContact O-N 3.1Å
564V98.3Very high96.8Very high1 Ų134.5 Ų34.51%0.00620%0.2CC..Hα-helixtrans-73.2-45.7176.9-177.20000110S561 L562 L567 I568 A598 L616 V627 F628 L631S561-V564 WeakPolarHBondContact O-CB 3.48Å; S561-V564 PolarHBondContact O-N 3.05Å; S561-V564 VanDerWaalsContact O-N 3.09Å; L562-V564 PolarHBondContact O-N 2.91Å; V564-L567 PolarHBondContact O-N 3.48Å; V564-I568 HydrophobicContact CG1-CD1 4.04Å; V564-I568 WeakPolarHBondContact O-CD1 3.37Å; V564-I568 VanDerWaalsContact O-CG1 3.26Å; V564-I568 WeakPolarHBondContact O-CG1 3.44Å; V564-I568 PolarHBondContact O-N 3.25Å; V564-A598 HydrophobicContact CB-CB 4.36Å; V564-A598 HydrophobicContact CG1-CB 4.02Å; V564-L616 HydrophobicContact CG2-CD1 4.46Å; V564-L616 HydrophobicContact CG2-CD2 4.25Å; V564-V627 HydrophobicContact CG1-CG1 4.04Å; V564-F628 HydrophobicContact CG2-CE1 4.24Å; V564-F628 HydrophobicContact CG2-CE2 4.4Å; V564-F628 HydrophobicContact CG2-CZ 3.78Å; V564-L631 HydrophobicContact CG1-CD1 3.99Å
565V98.1Very high96.6Very high0 Ų027.9 Ų27.90%017%0.173CC..Hα-helixtrans-59.9-49.4176.1169.60000111.2S561 L562 L567 I568 D569 I576 Y578 V581 A598S561-V565 WeakPolarHBondContact O-CG2 3.33Å; S561-V565 PolarHBondContact O-N 3.44Å; L562-V565 PolarHBondContact O-N 3.01Å; V565-L567 VanDerWaalsContact C-N 3.28Å; V565-L567 PolarHBondContact O-N 3.41Å; V565-I568 WeakPolarHBondContact O-CB 3.35Å; V565-I568 PolarHBondContact O-N 3.38Å; V565-D569 PolarHBondContact O-N 3.26Å; V565-I576 HydrophobicContact CG1-CB 4.43Å; V565-I576 HydrophobicContact CG1-CD1 4.1Å; V565-I576 HydrophobicContact CG1-CG1 4.06Å; V565-I576 HydrophobicContact CG1-CG2 3.57Å; V565-Y578 HydrophobicContact CG1-CE1 4Å; V565-V581 HydrophobicContact CG1-CG1 4.4Å; V565-V581 HydrophobicContact CG1-CG2 4.05Å; V565-A598 HydrophobicContact CG2-CB 3.84Å
566D98.3Very high96.6Very high16 Ų1627.3 Ų27.39%0.08617%0.17CC..Hα-helixtrans-62.8-36.9179.2-79.6-1.3000111.9L541 K546 T548 L562 D569 A570 Y578L541-D566 HydrophobicContact CD2-CB 3.71Å; K546-D566 HydrophobicContact CB-CB 4.24Å; K546-D566 HydrophobicContact CD-CB 4.09Å; K546-D566 HydrophobicContact CG-CB 4.06Å; T548-D566 WeakPolarHBondContact CG2-OD2 3.27Å; T548-D566 WeakPolarHBondContact OG1-CB 3.45Å; T548-D566 PolarHBondContact OG1-OD2 3.3Å; L562-D566 WeakPolarHBondContact O-CB 3.32Å; L562-D566 PolarHBondContact O-N 2.95Å; D566-D569 PolarHBondContact O-N 3.4Å; D566-A570 WeakPolarHBondContact O-CB 3.38Å; D566-A570 PolarHBondContact O-N 3.13Å; D566-Y578 VanDerWaalsContact OD1-CE1 3.25Å; D566-Y578 WeakPolarHBondContact OD1-CE1 3.28Å; D566-Y578 PolarHBondContact OD1-OH 3.18Å
567L98.4Very high96.5Very high0 Ų023.5 Ų23.50%016%0.157CC..Hα-helixtrans-68.3-39.5176-179.464.2000111.7W536 V537 T540 L541 A563 V564 V565 D569 A570 I571 F628 L631W536-L567 HydrophobicContact CH2-CD1 4.06Å; W536-L567 HydrophobicContact CZ3-CD1 3.88Å; W536-L567 HydrophobicContact CZ3-CD2 4.14Å; W536-L567 HydrophobicContact CZ3-CG 4.46Å; V537-L567 HydrophobicContact CG1-CD1 4.49Å; V537-L567 HydrophobicContact CG1-CD2 4.1Å; V537-L567 HydrophobicContact CG2-CD2 3.91Å; T540-L567 HydrophobicContact CG2-CD1 3.87Å; L541-L567 HydrophobicContact CD2-CB 4.01Å; L541-L567 HydrophobicContact CD2-CD1 4.49Å; L541-L567 HydrophobicContact CG-CD1 4.35Å; A563-L567 WeakPolarHBondContact O-CB 3.48Å; A563-L567 PolarHBondContact O-N 3.49Å; A563-L567 VanDerWaalsContact O-N 3.1Å; V564-L567 PolarHBondContact O-N 3.48Å; V565-L567 VanDerWaalsContact C-N 3.28Å; V565-L567 PolarHBondContact O-N 3.41Å; L567-D569 VanDerWaalsContact C-N 3.34Å; L567-A570 PolarHBondContact O-N 2.92Å; L567-I571 HydrophobicContact CD1-CD1 4.35Å; L567-I571 HydrophobicContact CD1-CG1 4.48Å; L567-I571 HydrophobicContact CG-CD1 3.99Å; L567-I571 WeakPolarHBondContact O-CD1 3.49Å; L567-I571 VanDerWaalsContact O-CG1 3.23Å; L567-I571 WeakPolarHBondContact O-CG1 3.29Å; L567-I571 PolarHBondContact O-N 3.3Å; L567-F628 HydrophobicContact CD2-CD1 3.47Å; L567-F628 VanDerWaalsContact CD2-CD1 3.47Å; L567-F628 HydrophobicContact CD2-CE1 3.72Å; L567-L631 HydrophobicContact CD2-CB 4.11Å; L567-L631 HydrophobicContact CD2-CD1 3.85Å; L567-L631 HydrophobicContact CG-CD1 4.43Å
568I97.9Very high96.6Very high0 Ų023.9 Ų23.90%015%0.15CC..Hα-helixtrans-61.4-45.2174.9-70.2159.8000110.4V564 V565 I571 Q572 I576 A598 M601 A602 I605 L631V564-I568 HydrophobicContact CG1-CD1 4.04Å; V564-I568 WeakPolarHBondContact O-CD1 3.37Å; V564-I568 VanDerWaalsContact O-CG1 3.26Å; V564-I568 WeakPolarHBondContact O-CG1 3.44Å; V564-I568 PolarHBondContact O-N 3.25Å; V565-I568 WeakPolarHBondContact O-CB 3.35Å; V565-I568 PolarHBondContact O-N 3.38Å; I568-I571 PolarHBondContact O-N 3.27Å; I568-Q572 PolarHBondContact O-N 3.24Å; I568-I576 HydrophobicContact CB-CD1 4.32Å; I568-I576 HydrophobicContact CG2-CD1 3.87Å; I568-I576 HydrophobicContact CG2-CG1 4.19Å; I568-A598 VanDerWaalsContact CD1-O 3.32Å; I568-A598 WeakPolarHBondContact CD1-O 3.44Å; I568-M601 HydrophobicContact CD1-CB 4.02Å; I568-M601 HydrophobicContact CG2-CB 4.31Å; I568-M601 HydrophobicContact CG2-CE 4.5Å; I568-A602 HydrophobicContact CD1-CB 4Å; I568-A602 HydrophobicContact CG1-CB 4.5Å; I568-I605 HydrophobicContact CG2-CD1 4.12Å; I568-I605 HydrophobicContact CG2-CG2 4.06Å; I568-L631 HydrophobicContact CD1-CD2 4.49Å; I568-L631 HydrophobicContact CG1-CD1 4.18Å; I568-L631 HydrophobicContact CG1-CD2 3.68Å
569D97.6Very high96.4Very high20 Ų2031.1 Ų31.111%0.10719%0.189CC..Hα-helixtrans-65.5-37.8175.7-168.358000111.9K546 V565 D566 L567 I571 Q572 P573 G574 I576 Y578K546-D569 WeakPolarHBondContact CE-OD2 3.45Å; K546-D569 IonicContact NZ-OD2 3.67Å; K546-D569 PolarHBondContact NZ-OD2 3.5Å; V565-D569 PolarHBondContact O-N 3.26Å; D566-D569 PolarHBondContact O-N 3.4Å; L567-D569 VanDerWaalsContact C-N 3.34Å; D569-I571 VanDerWaalsContact C-N 3.34Å; D569-I571 PolarHBondContact O-N 2.81Å; D569-Q572 CarbonylContact O-C 3.3Å; D569-Q572 PolarHBondContact O-N 2.74Å; D569-P573 WeakPolarHBondContact O-CA 3.41Å; D569-P573 WeakPolarHBondContact O-CD 3.23Å; D569-G574 PolarHBondContact OD1-N 3.25Å; D569-I576 HydrophobicContact CB-CB 4.16Å; D569-I576 HydrophobicContact CB-CG1 3.82Å; D569-Y578 HydrophobicContact CB-CE2 4.38Å
570A97.4Very high96.2Very high20 Ų2033 Ų3317%0.16520%0.197CC..Hα-helixtrans-63-39.5173.800000112.2T540 A544 D566 L567T540-A570 HydrophobicContact CG2-CB 4.05Å; A544-A570 HydrophobicContact CB-CB 3.51Å; D566-A570 WeakPolarHBondContact O-CB 3.38Å; D566-A570 PolarHBondContact O-N 3.13Å; L567-A570 PolarHBondContact O-N 2.92Å
571I95.6Very high96.1Very high8 Ų832.7 Ų32.74%0.04119%0.194CC..Hα-helixtrans-68.4-42.4176-69.1160.9000110.9W536 L567 I568 D569 I605 L631 R634 R638W536-I571 HydrophobicContact CH2-CD1 4.01Å; W536-I571 HydrophobicContact CH2-CG1 4.08Å; L567-I571 HydrophobicContact CD1-CD1 4.35Å; L567-I571 HydrophobicContact CD1-CG1 4.48Å; L567-I571 HydrophobicContact CG-CD1 3.99Å; L567-I571 WeakPolarHBondContact O-CD1 3.49Å; L567-I571 VanDerWaalsContact O-CG1 3.23Å; L567-I571 WeakPolarHBondContact O-CG1 3.29Å; L567-I571 PolarHBondContact O-N 3.3Å; I568-I571 PolarHBondContact O-N 3.27Å; D569-I571 VanDerWaalsContact C-N 3.34Å; D569-I571 PolarHBondContact O-N 2.81Å; I571-I605 HydrophobicContact CB-CD1 4.33Å; I571-I605 HydrophobicContact CD1-CD1 4.42Å; I571-I605 HydrophobicContact CG2-CD1 3.91Å; I571-L631 HydrophobicContact CD1-CB 3.83Å; I571-L631 HydrophobicContact CD1-CD2 4.09Å; I571-L631 HydrophobicContact CD1-CG 4.49Å; I571-L631 WeakPolarHBondContact CD1-O 3.22Å; I571-R634 HydrophobicContact CG2-CG 4.34Å; I571-R638 PolarHBondContact O-NE 2.93Å; I571-R638 PolarHBondContact O-NH1 3.25Å
572Q94.8Very high96Very high13 Ų1337.5 Ų37.56%0.06122%0.215CC..SBendtrans-135.589.7-179.4-175.7170.8-49.600110.6E195 I568 D569 G574 C575 I605E195-Q572 PolarHBondContact OE1-NE2 3.19Å; I568-Q572 PolarHBondContact O-N 3.24Å; D569-Q572 CarbonylContact O-C 3.3Å; D569-Q572 PolarHBondContact O-N 2.74Å; Q572-G574 PolarHBondContact O-N 2.82Å; Q572-C575 HydrophobicContact CB-CB 4.44Å; Q572-C575 HydrophobicContact CG-CB 4.08Å; Q572-C575 WeakPolarHBondContact O-CB 3.37Å; Q572-C575 PolarHBondContact O-N 3.15Å; Q572-C575 PolarHBondContact O-SG 2.81Å; Q572-I605 HydrophobicContact CB-CG2 4.16Å
573P94.6Very high95.7Very high96 Ų9640.2 Ų40.262%0.62324%0.237SC*.THydrogen-bonded Turntrans-57.9134.7-174.8-29.436.7000113.5D569 C575D569-P573 WeakPolarHBondContact O-CA 3.41Å; D569-P573 WeakPolarHBondContact O-CD 3.23Å; P573-C575 VanDerWaalsContact C-N 3.31Å; P573-C575 PolarHBondContact O-N 3.25Å
574G90.6Very high95.3Very high69 Ų6943.2 Ų43.271%0.71127%0.268SS*.THydrogen-bonded Turntrans80.66.8176.100000114.5D569 Q572D569-G574 PolarHBondContact OD1-N 3.25Å; Q572-G574 PolarHBondContact O-N 2.82Å
575C91.9Very high95Very high14 Ų1451 Ų5110%0.09531%0.31CS..  trans-79.5-29175.474.20000112.4Q572 P573 M601 R604Q572-C575 HydrophobicContact CB-CB 4.44Å; Q572-C575 HydrophobicContact CG-CB 4.08Å; Q572-C575 WeakPolarHBondContact O-CB 3.37Å; Q572-C575 PolarHBondContact O-N 3.15Å; Q572-C575 PolarHBondContact O-SG 2.81Å; P573-C575 VanDerWaalsContact C-N 3.31Å; P573-C575 PolarHBondContact O-N 3.25Å; C575-M601 HydrophobicContact CB-CE 4.04Å; C575-M601 WeakPolarHBondContact O-CE 3.38Å; C575-R604 PolarHBondContact O-NH2 2.89Å
576I96.3Very high94.8Very high12 Ų1252.1 Ų52.16%0.06232%0.316CS..  trans-83.9131179.5-65.2-61.1000110.3V565 I568 D569 Y578 V581 Y597 M601V565-I576 HydrophobicContact CG1-CB 4.43Å; V565-I576 HydrophobicContact CG1-CD1 4.1Å; V565-I576 HydrophobicContact CG1-CG1 4.06Å; V565-I576 HydrophobicContact CG1-CG2 3.57Å; I568-I576 HydrophobicContact CB-CD1 4.32Å; I568-I576 HydrophobicContact CG2-CD1 3.87Å; I568-I576 HydrophobicContact CG2-CG1 4.19Å; D569-I576 HydrophobicContact CB-CB 4.16Å; D569-I576 HydrophobicContact CB-CG1 3.82Å; I576-Y578 HydrophobicContact CB-CD2 4.35Å; I576-Y578 HydrophobicContact CB-CE2 4.06Å; I576-Y578 HydrophobicContact CG2-CD1 4.18Å; I576-Y578 HydrophobicContact CG2-CD2 3.71Å; I576-Y578 HydrophobicContact CG2-CE1 4.16Å; I576-Y578 HydrophobicContact CG2-CE2 3.68Å; I576-Y578 HydrophobicContact CG2-CG 3.98Å; I576-V581 HydrophobicContact CG2-CG2 4.24Å; I576-Y597 HydrophobicContact CD1-CE1 4.05Å; I576-Y597 HydrophobicContact CG2-CE1 4.3Å; I576-M601 HydrophobicContact CD1-CB 3.92Å; I576-M601 HydrophobicContact CD1-CE 3.62Å; I576-M601 HydrophobicContact CD1-CG 3.68Å; I576-M601 HydrophobicContact CD1-SD 4.35Å
577N94.9Very high94.7Very high68 Ų6855 Ų5536%0.36434%0.335SS..  trans-94.4100.9164.2-176.3-2.5000109.5D579 L580 Y597N577-D579 PolarHBondContact O-N 3.29Å; N577-D579 WeakPolarHBondContact OD1-CB 3.14Å; N577-D579 PolarHBondContact OD1-N 3.43Å; N577-D579 VanDerWaalsContact OD1-N 3.09Å; N577-L580 HydrophobicContact CB-CD1 4Å; N577-L580 HydrophobicContact CB-CG 4.17Å; N577-L580 WeakPolarHBondContact O-CB 3.44Å; N577-L580 PolarHBondContact O-N 2.69Å; N577-L580 VanDerWaalsContact O-N 3.11Å; N577-Y597 PolarHBondContact N-OH 3.36Å; N577-Y597 VanDerWaalsContact N-OH 3.15Å
578Y96.1Very high94.6Very high85 Ų8560.4 Ų60.433%0.33336%0.36SS..G310 helixtrans-66.2-18.6-178.1-79-83.5000113.9K546 V565 D566 D569 I576 L580 V581K546-Y578 PolarHBondContact NZ-OH 3.46Å; V565-Y578 HydrophobicContact CG1-CE1 4Å; D566-Y578 VanDerWaalsContact OD1-CE1 3.25Å; D566-Y578 WeakPolarHBondContact OD1-CE1 3.28Å; D566-Y578 PolarHBondContact OD1-OH 3.18Å; D569-Y578 HydrophobicContact CB-CE2 4.38Å; I576-Y578 HydrophobicContact CB-CD2 4.35Å; I576-Y578 HydrophobicContact CB-CE2 4.06Å; I576-Y578 HydrophobicContact CG2-CD1 4.18Å; I576-Y578 HydrophobicContact CG2-CD2 3.71Å; I576-Y578 HydrophobicContact CG2-CE1 4.16Å; I576-Y578 HydrophobicContact CG2-CE2 3.68Å; I576-Y578 HydrophobicContact CG2-CG 3.98Å; Y578-L580 PolarHBondContact O-N 3.41Å; Y578-L580 VanDerWaalsContact O-N 3.17Å; Y578-V581 HydrophobicContact CD1-CB 4.48Å; Y578-V581 PolarHBondContact O-N 3.4Å
579D95.4Very high94.5Very high152 Ų15266.1 Ų66.181%0.81339%0.39SS*.G310 helixtrans-63.9-20.7173.4-62-25.9000112.2N577N577-D579 PolarHBondContact O-N 3.29Å; N577-D579 WeakPolarHBondContact OD1-CB 3.14Å; N577-D579 PolarHBondContact OD1-N 3.43Å; N577-D579 VanDerWaalsContact OD1-N 3.09Å
580L92.9Very high94.5Very high57 Ų5766.2 Ų66.230%0.29839%0.391SS..G310 helixtrans-92.8-6.9178.4-54.4179000112.9R181 N577 Y578 Y597R181-L580 HydrophobicContact CB-CD1 4.05Å; R181-L580 PolarHBondContact NH1-O 2.94Å; N577-L580 HydrophobicContact CB-CD1 4Å; N577-L580 HydrophobicContact CB-CG 4.17Å; N577-L580 WeakPolarHBondContact O-CB 3.44Å; N577-L580 PolarHBondContact O-N 2.69Å; N577-L580 VanDerWaalsContact O-N 3.11Å; Y578-L580 PolarHBondContact O-N 3.41Å; Y578-L580 VanDerWaalsContact O-N 3.17Å; L580-Y597 HydrophobicContact CD1-CE2 4.35Å
581V95.8Very high94.5Very high15 Ų1567.1 Ų67.19%0.09139%0.391CS..SBendtrans-105.3121.7-175-177.40000108.8L562 V565 I576 Y578 Y597L562-V581 HydrophobicContact CD2-CG1 3.65Å; V565-V581 HydrophobicContact CG1-CG1 4.4Å; V565-V581 HydrophobicContact CG1-CG2 4.05Å; I576-V581 HydrophobicContact CG2-CG2 4.24Å; Y578-V581 HydrophobicContact CD1-CB 4.48Å; Y578-V581 PolarHBondContact O-N 3.4Å; V581-Y597 HydrophobicContact CG2-CD1 3.87Å; V581-Y597 HydrophobicContact CG2-CE1 3.84Å
582K94.9Very high94.5Very high100 Ų10068.9 Ų68.944%0.43540%0.399SS..  trans-84.5141179.1-63-177.4-176.1-175.50110.1L586 D590 N594K582-L586 HydrophobicContact CB-CD2 3.75Å; K582-L586 WeakPolarHBondContact O-CD2 3.31Å; K582-D590 HydrophobicContact CB-CB 4.27Å; K582-D590 HydrophobicContact CD-CB 3.8Å; K582-D590 VanDerWaalsContact CD-CG 3.44Å; K582-D590 WeakPolarHBondContact CD-OD1 3.24Å; K582-D590 WeakPolarHBondContact CE-OD1 3.31Å; K582-D590 IonicContact NZ-OD1 2.82Å; K582-D590 PolarHBondContact NZ-OD1 3.36Å; K582-N594 PolarHBondContact N-OD1 3.31Å; K582-N594 PolarHBondContact O-ND2 3.26Å
583S91.9Very high94.6Very high94 Ų9471.1 Ų71.166%0.65741%0.411SS*.  trans-134.1164.9179.367.40000112.2
584G90.3Very high94.8Very high67 Ų6766.5 Ų66.569%0.69138%0.381SS*.SBendtrans91.2-130178.600000112.2L586G584-L586 PolarHBondContact O-N 3.34Å
585N90.6Very high95.2Very high165 Ų16563.2 Ų63.288%0.88235%0.348SS*.SBendtrans-80.799.7177.1-168.428.3000110
586L94.9Very high95.4Very high24 Ų2464.1 Ų64.113%0.12635%0.35CS..  trans-94.9131.1-174.6-59.5178.5000111.4K582 G584 D590 K591K582-L586 HydrophobicContact CB-CD2 3.75Å; K582-L586 WeakPolarHBondContact O-CD2 3.31Å; G584-L586 PolarHBondContact O-N 3.34Å; L586-D590 HydrophobicContact CB-CB 4.11Å; L586-D590 HydrophobicContact CD2-CB 3.95Å; L586-K591 HydrophobicContact CB-CG 4Å; L586-K591 HydrophobicContact CD1-CG 4.28Å
587T96.5Very high95.5Very high77 Ų7763.7 Ų63.747%0.47235%0.348SS..  trans-73166.916465.30000110.9D589 D590 K591T587-D589 VanDerWaalsContact C-N 3.26Å; T587-D589 PolarHBondContact O-N 3.47Å; T587-D590 WeakPolarHBondContact CB-OD2 3.46Å; T587-D590 PolarHBondContact N-OD2 2.9Å; T587-D590 WeakPolarHBondContact O-CB 3.33Å; T587-D590 PolarHBondContact O-N 3.47Å; T587-D590 VanDerWaalsContact O-N 3.15Å; T587-D590 PolarHBondContact OG1-N 3.1Å; T587-D590 PolarHBondContact OG1-OD1 3.45Å; T587-D590 PolarHBondContact OG1-OD2 3.08Å; T587-K591 WeakPolarHBondContact O-CG 3.4Å; T587-K591 PolarHBondContact O-N 3.39Å
588E95.1Very high95.7Very high112 Ų11260.5 Ų60.552%0.52333%0.33SS..Hα-helixtrans-61.4-36.2174.9-65.1-55.5119.500112D590 K591 H592E588-D590 VanDerWaalsContact C-N 3.33Å; E588-D590 PolarHBondContact O-N 2.92Å; E588-K591 WeakPolarHBondContact O-CB 3.08Å; E588-K591 PolarHBondContact O-N 3.46Å; E588-K591 IonicContact OE1-NZ 2.62Å; E588-K591 PolarHBondContact OE1-NZ 2.9Å; E588-H592 WeakPolarHBondContact O-CB 3.42Å; E588-H592 PolarHBondContact O-N 3.1Å
589D95.8Very high95.8Very high120 Ų12056.6 Ų56.664%0.64232%0.316SS*.Hα-helixtrans-65.1-37.1174.1-69.4-16.9000111.9T587 H592 N593T587-D589 VanDerWaalsContact C-N 3.26Å; T587-D589 PolarHBondContact O-N 3.47Å; D589-H592 PolarHBondContact O-N 3.25Å; D589-N593 VanDerWaalsContact O-CB 3.32Å; D589-N593 WeakPolarHBondContact O-CB 3.43Å; D589-N593 VanDerWaalsContact O-CG 3.28Å; D589-N593 PolarHBondContact O-N 3.43Å; D589-N593 PolarHBondContact O-ND2 2.97Å
590D97.5Very high95.9Very high22 Ų2249.5 Ų49.512%0.11828%0.278CS..Hα-helixtrans-65.9-43.3176.4-60-37000111.2K582 L586 T587 E588 H592 N593 N594K582-D590 HydrophobicContact CB-CB 4.27Å; K582-D590 HydrophobicContact CD-CB 3.8Å; K582-D590 VanDerWaalsContact CD-CG 3.44Å; K582-D590 WeakPolarHBondContact CD-OD1 3.24Å; K582-D590 WeakPolarHBondContact CE-OD1 3.31Å; K582-D590 IonicContact NZ-OD1 2.82Å; K582-D590 PolarHBondContact NZ-OD1 3.36Å; L586-D590 HydrophobicContact CB-CB 4.11Å; L586-D590 HydrophobicContact CD2-CB 3.95Å; T587-D590 WeakPolarHBondContact CB-OD2 3.46Å; T587-D590 PolarHBondContact N-OD2 2.9Å; T587-D590 WeakPolarHBondContact O-CB 3.33Å; T587-D590 PolarHBondContact O-N 3.47Å; T587-D590 VanDerWaalsContact O-N 3.15Å; T587-D590 PolarHBondContact OG1-N 3.1Å; T587-D590 PolarHBondContact OG1-OD1 3.45Å; T587-D590 PolarHBondContact OG1-OD2 3.08Å; E588-D590 VanDerWaalsContact C-N 3.33Å; E588-D590 PolarHBondContact O-N 2.92Å; D590-H592 VanDerWaalsContact C-N 3.35Å; D590-N593 PolarHBondContact O-N 2.73Å; D590-N594 WeakPolarHBondContact O-CB 3.48Å; D590-N594 PolarHBondContact O-N 3.35Å
591K97.8Very high96.2Very high39 Ų3946.8 Ų46.817%0.1726%0.264CS..Hα-helixtrans-60.6-45.7175.1-69.3178-172.2168.60111.3S559 L586 T587 E588 N594 A595 V617S559-K591 WeakPolarHBondContact O-CB 3.45Å; S559-K591 WeakPolarHBondContact O-CG 3.37Å; L586-K591 HydrophobicContact CB-CG 4Å; L586-K591 HydrophobicContact CD1-CG 4.28Å; T587-K591 WeakPolarHBondContact O-CG 3.4Å; T587-K591 PolarHBondContact O-N 3.39Å; E588-K591 WeakPolarHBondContact O-CB 3.08Å; E588-K591 PolarHBondContact O-N 3.46Å; E588-K591 IonicContact OE1-NZ 2.62Å; E588-K591 PolarHBondContact OE1-NZ 2.9Å; K591-N594 PolarHBondContact O-N 3.12Å; K591-A595 WeakPolarHBondContact O-CB 3.33Å; K591-A595 PolarHBondContact O-N 3.13Å; K591-V617 HydrophobicContact CB-CG1 4.22Å; K591-V617 HydrophobicContact CB-CG2 4.14Å
592H96.9Very high96.3Very high45 Ų4546.1 Ų46.121%0.20826%0.259CS..Hα-helixtrans-63.7-43.5178.5-173.784.8000112.1E588 D589 D590 A595 K596 E614 V617E588-H592 WeakPolarHBondContact O-CB 3.42Å; E588-H592 PolarHBondContact O-N 3.1Å; D589-H592 PolarHBondContact O-N 3.25Å; D590-H592 VanDerWaalsContact C-N 3.35Å; H592-A595 PolarHBondContact O-N 2.98Å; H592-K596 WeakPolarHBondContact NE2-CE 3.38Å; H592-K596 PolarHBondContact O-N 3.3Å; H592-E614 IonicContact CE1-OE1 2.64Å; H592-E614 PolarHBondContact CE1-OE1 2.88Å; H592-E614 VanDerWaalsContact CE1-OE1 3.3Å; H592-V617 HydrophobicContact CB-CG2 4.37Å
593N97Very high96.4Very high60 Ų6041.7 Ų41.732%0.32124%0.24SC..Hα-helixtrans-64.9-38.2175.6-77.9-51.3000112.8R181 D589 D590 Y597R181-N593 PolarHBondContact NH2-O 2.85Å; D589-N593 VanDerWaalsContact O-CB 3.32Å; D589-N593 WeakPolarHBondContact O-CB 3.43Å; D589-N593 VanDerWaalsContact O-CG 3.28Å; D589-N593 PolarHBondContact O-N 3.43Å; D589-N593 PolarHBondContact O-ND2 2.97Å; D590-N593 PolarHBondContact O-N 2.73Å; N593-Y597 PolarHBondContact O-N 2.78Å
594N98.2Very high96.7Very high0 Ų037.7 Ų37.70%021%0.211CC..Hα-helixtrans-65.3-40.8172.6-77.4-2.8000111.1S560 K582 D590 K591 Y597 A598S560-N594 WeakPolarHBondContact O-CB 3.16Å; S560-N594 PolarHBondContact O-ND2 3.2Å; K582-N594 PolarHBondContact N-OD1 3.31Å; K582-N594 PolarHBondContact O-ND2 3.26Å; D590-N594 WeakPolarHBondContact O-CB 3.48Å; D590-N594 PolarHBondContact O-N 3.35Å; K591-N594 PolarHBondContact O-N 3.12Å; N594-Y597 PolarHBondContact O-N 3.36Å; N594-A598 VanDerWaalsContact O-CB 3.31Å; N594-A598 WeakPolarHBondContact O-CB 3.29Å; N594-A598 PolarHBondContact O-N 3.36Å
595A98.1Very high96.9Very high0 Ų034.6 Ų34.60%018%0.178CC..Hα-helixtrans-65.7-43.6178.800000112.4S561 K591 H592 Y597 A598 V599 P613 L616 V617S561-A595 VanDerWaalsContact OG-CA 3.29Å; S561-A595 WeakPolarHBondContact OG-CA 3.45Å; S561-A595 WeakPolarHBondContact OG-CB 3.39Å; K591-A595 WeakPolarHBondContact O-CB 3.33Å; K591-A595 PolarHBondContact O-N 3.13Å; H592-A595 PolarHBondContact O-N 2.98Å; A595-Y597 VanDerWaalsContact C-N 3.31Å; A595-Y597 PolarHBondContact O-N 3.14Å; A595-A598 PolarHBondContact O-N 3.2Å; A595-V599 WeakPolarHBondContact O-CG2 3.36Å; A595-V599 PolarHBondContact O-N 3.41Å; A595-P613 HydrophobicContact CB-CB 3.82Å; A595-P613 WeakPolarHBondContact CB-O 3.46Å; A595-L616 HydrophobicContact CB-CB 4.2Å; A595-L616 HydrophobicContact CB-CD1 4.28Å; A595-V617 HydrophobicContact CB-CG2 3.93Å
596K97.7Very high97Very high33 Ų3328 Ų2814%0.14315%0.149CC..Hα-helixtrans-55.1-47172.8-85.1-176.7164178.80111.5D176 D179 H592 S600 P613D176-K596 IonicContact OD1-NZ 3.61Å; D176-K596 PolarHBondContact OD1-NZ 2.87Å; D176-K596 IonicContact OD2-NZ 3.18Å; D176-K596 PolarHBondContact OD2-NZ 2.81Å; D179-K596 HydrophobicContact CB-CB 4.46Å; H592-K596 WeakPolarHBondContact NE2-CE 3.38Å; H592-K596 PolarHBondContact O-N 3.3Å; K596-S600 WeakPolarHBondContact O-CB 3.35Å; K596-S600 PolarHBondContact O-N 3.34Å; K596-S600 PolarHBondContact O-OG 3.4Å; K596-P613 HydrophobicContact CB-CG 4.32Å; K596-P613 HydrophobicContact CG-CB 3.87Å; K596-P613 HydrophobicContact CG-CG 3.56Å
597Y98.3Very high96.9Very high3 Ų327 Ų271%0.01214%0.144CC..Hα-helixtrans-64.4-48.1176.7-172.9-117.3000111.4D179 R181 A182 I576 N577 L580 V581 N593 N594 A595 V599 S600 M601D179-Y597 WeakPolarHBondContact OD2-CA 3.32Å; D179-Y597 PolarHBondContact OD2-N 3.49Å; R181-Y597 HydrophobicContact CB-CD2 4.26Å; R181-Y597 HydrophobicContact CB-CE2 4.26Å; A182-Y597 HydrophobicContact CB-CE2 4.42Å; I576-Y597 HydrophobicContact CD1-CE1 4.05Å; I576-Y597 HydrophobicContact CG2-CE1 4.3Å; N577-Y597 PolarHBondContact N-OH 3.36Å; N577-Y597 VanDerWaalsContact N-OH 3.15Å; L580-Y597 HydrophobicContact CD1-CE2 4.35Å; V581-Y597 HydrophobicContact CG2-CD1 3.87Å; V581-Y597 HydrophobicContact CG2-CE1 3.84Å; N593-Y597 PolarHBondContact O-N 2.78Å; N594-Y597 PolarHBondContact O-N 3.36Å; A595-Y597 VanDerWaalsContact C-N 3.31Å; A595-Y597 PolarHBondContact O-N 3.14Å; Y597-V599 PolarHBondContact O-N 2.88Å; Y597-S600 PolarHBondContact O-N 3.36Å; Y597-M601 HydrophobicContact CD1-CG 4.06Å; Y597-M601 HydrophobicContact CD2-CG 4.05Å; Y597-M601 HydrophobicContact CE1-CG 3.8Å; Y597-M601 HydrophobicContact CE2-CG 3.76Å; Y597-M601 HydrophobicContact CE2-SD 3.94Å; Y597-M601 HydrophobicContact CG-CG 4.18Å; Y597-M601 VanDerWaalsContact O-CB 3.24Å; Y597-M601 WeakPolarHBondContact O-CB 3.2Å; Y597-M601 WeakPolarHBondContact O-CG 3.42Å; Y597-M601 PolarHBondContact O-N 3.29Å
598A98.3Very high96.6Very high0 Ų029.3 Ų29.30%014%0.144CC..Hα-helixtrans-59.9-44.7-178.900000113V564 V565 I568 N594 A595 M601 A602V564-A598 HydrophobicContact CB-CB 4.36Å; V564-A598 HydrophobicContact CG1-CB 4.02Å; V565-A598 HydrophobicContact CG2-CB 3.84Å; I568-A598 VanDerWaalsContact CD1-O 3.32Å; I568-A598 WeakPolarHBondContact CD1-O 3.44Å; N594-A598 VanDerWaalsContact O-CB 3.31Å; N594-A598 WeakPolarHBondContact O-CB 3.29Å; N594-A598 PolarHBondContact O-N 3.36Å; A595-A598 PolarHBondContact O-N 3.2Å; A598-M601 PolarHBondContact O-N 3.47Å; A598-A602 WeakPolarHBondContact O-CB 3.44Å; A598-A602 PolarHBondContact O-N 2.86Å
599V98.1Very high96.5Very high4 Ų424.1 Ų24.12%0.02412%0.12CC..Hα-helixtrans-63.1-45.4177.51710000110.8A595 Y597 M601 A602 R603 V609 L616A595-V599 WeakPolarHBondContact O-CG2 3.36Å; A595-V599 PolarHBondContact O-N 3.41Å; Y597-V599 PolarHBondContact O-N 2.88Å; V599-M601 VanDerWaalsContact C-N 3.34Å; V599-M601 PolarHBondContact O-N 2.69Å; V599-A602 PolarHBondContact O-N 3.22Å; V599-R603 WeakPolarHBondContact O-CG 3.47Å; V599-R603 PolarHBondContact O-N 2.67Å; V599-R603 VanDerWaalsContact O-N 3.07Å; V599-V609 HydrophobicContact CG1-CG1 4.41Å; V599-L616 HydrophobicContact CG2-CD1 4.02Å
600S98.3Very high96.3Very high3 Ų319.1 Ų19.12%0.0219%0.092CC..Hα-helixtrans-64.2-41.8178.1-56.40000111.3D179 L199 K596 Y597 R603 R604D179-S600 WeakPolarHBondContact CB-OG 3.46Å; D179-S600 PolarHBondContact N-OG 3.02Å; L199-S600 WeakPolarHBondContact CD1-O 3.49Å; K596-S600 WeakPolarHBondContact O-CB 3.35Å; K596-S600 PolarHBondContact O-N 3.34Å; K596-S600 PolarHBondContact O-OG 3.4Å; Y597-S600 PolarHBondContact O-N 3.36Å; S600-R603 PolarHBondContact O-N 3.29Å; S600-R604 WeakPolarHBondContact O-CB 3.33Å; S600-R604 PolarHBondContact O-N 3.07Å
601M98.2Very high96.1Very high0 Ų018.1 Ų18.10%09%0.087CC..Hα-helixtrans-63.7-41.2176.1-77.6-52.2-56.400112.9A182 I568 C575 I576 Y597 A598 V599 R603 R604 I605A182-M601 HydrophobicContact CB-SD 3.93Å; I568-M601 HydrophobicContact CD1-CB 4.02Å; I568-M601 HydrophobicContact CG2-CB 4.31Å; I568-M601 HydrophobicContact CG2-CE 4.5Å; C575-M601 HydrophobicContact CB-CE 4.04Å; C575-M601 WeakPolarHBondContact O-CE 3.38Å; I576-M601 HydrophobicContact CD1-CB 3.92Å; I576-M601 HydrophobicContact CD1-CE 3.62Å; I576-M601 HydrophobicContact CD1-CG 3.68Å; I576-M601 HydrophobicContact CD1-SD 4.35Å; Y597-M601 HydrophobicContact CD1-CG 4.06Å; Y597-M601 HydrophobicContact CD2-CG 4.05Å; Y597-M601 HydrophobicContact CE1-CG 3.8Å; Y597-M601 HydrophobicContact CE2-CG 3.76Å; Y597-M601 HydrophobicContact CE2-SD 3.94Å; Y597-M601 HydrophobicContact CG-CG 4.18Å; Y597-M601 VanDerWaalsContact O-CB 3.24Å; Y597-M601 WeakPolarHBondContact O-CB 3.2Å; Y597-M601 WeakPolarHBondContact O-CG 3.42Å; Y597-M601 PolarHBondContact O-N 3.29Å; A598-M601 PolarHBondContact O-N 3.47Å; V599-M601 VanDerWaalsContact C-N 3.34Å; V599-M601 PolarHBondContact O-N 2.69Å; M601-R603 VanDerWaalsContact C-N 3.35Å; M601-R603 PolarHBondContact O-N 3.05Å; M601-R604 PolarHBondContact O-N 3.19Å; M601-R604 PolarHBondContact SD-NH1 2.66Å; M601-R604 VanDerWaalsContact SD-NH1 3.38Å; M601-I605 PolarHBondContact O-N 2.87Å
602A97.9Very high95.9Very high0 Ų017.9 Ų17.90%09%0.087CC..Hα-helixtrans-59.5-46.1173.600000111.2I568 A598 V599 R604 I605 G606 A607 V609 L631I568-A602 HydrophobicContact CD1-CB 4Å; I568-A602 HydrophobicContact CG1-CB 4.5Å; A598-A602 WeakPolarHBondContact O-CB 3.44Å; A598-A602 PolarHBondContact O-N 2.86Å; V599-A602 PolarHBondContact O-N 3.22Å; A602-R604 PolarHBondContact O-N 3.2Å; A602-I605 WeakPolarHBondContact O-CG1 3.44Å; A602-I605 PolarHBondContact O-N 2.9Å; A602-G606 PolarHBondContact O-N 3.43Å; A602-A607 HydrophobicContact CB-CB 4.33Å; A602-A607 VanDerWaalsContact O-CB 3.27Å; A602-A607 WeakPolarHBondContact O-CB 3.2Å; A602-A607 PolarHBondContact O-N 3.33Å; A602-V609 HydrophobicContact CB-CG2 3.89Å; A602-L631 HydrophobicContact CB-CD2 3.9Å
603R97.6Very high95.8Very high7 Ų716.4 Ų16.43%0.0268%0.081CC..Hα-helixtrans-63.1-40.2176.2-70.5178.6-176.1154.64.2112.3T177 L199 N202 S203 V599 S600 M601 G606 A607 V609T177-R603 PolarHBondContact O-NH1 3.03Å; L199-R603 HydrophobicContact CD1-CB 4.01Å; N202-R603 HydrophobicContact CB-CB 3.8Å; N202-R603 HydrophobicContact CB-CG 3.93Å; N202-R603 PolarHBondContact ND2-O 3.49Å; S203-R603 WeakPolarHBondContact OG-CD 3.38Å; V599-R603 WeakPolarHBondContact O-CG 3.47Å; V599-R603 PolarHBondContact O-N 2.67Å; V599-R603 VanDerWaalsContact O-N 3.07Å; S600-R603 PolarHBondContact O-N 3.29Å; M601-R603 VanDerWaalsContact C-N 3.35Å; M601-R603 PolarHBondContact O-N 3.05Å; R603-G606 WeakPolarHBondContact O-CA 3.47Å; R603-G606 PolarHBondContact O-N 2.9Å; R603-A607 WeakPolarHBondContact CA-O 3.26Å; R603-V609 HydrophobicContact CG-CB 4.49Å; R603-V609 PolarHBondContact NE-O 3.14Å; R603-V609 PolarHBondContact NH2-O 3.36Å; R603-V609 VanDerWaalsContact NH2-O 3.09Å
604R97Very high95.8Very high11 Ų1116.5 Ų16.54%0.0428%0.08CC..Hα-helixtrans-62.3-42.8178.7-167.8176.486.9-172.64112.7A182 E195 N198 L199 C575 S600 M601 A602 G606A182-R604 WeakPolarHBondContact O-CD 3.35Å; A182-R604 PolarHBondContact O-NH1 3.05Å; E195-R604 HydrophobicContact CB-CG 3.81Å; E195-R604 WeakPolarHBondContact O-CG 3.48Å; E195-R604 IonicContact OE2-NE 2.87Å; N198-R604 WeakPolarHBondContact CB-O 3.4Å; L199-R604 HydrophobicContact CB-CB 4.08Å; L199-R604 HydrophobicContact CB-CG 4.17Å; L199-R604 HydrophobicContact CD1-CB 4.38Å; C575-R604 PolarHBondContact O-NH2 2.89Å; S600-R604 WeakPolarHBondContact O-CB 3.33Å; S600-R604 PolarHBondContact O-N 3.07Å; M601-R604 PolarHBondContact O-N 3.19Å; M601-R604 PolarHBondContact SD-NH1 2.66Å; M601-R604 VanDerWaalsContact SD-NH1 3.38Å; A602-R604 PolarHBondContact O-N 3.2Å; R604-G606 PolarHBondContact O-N 2.94Å
605I95.3Very high95.6Very high2 Ų216.9 Ų16.91%0.018%0.082CC..THydrogen-bonded Turntrans-72.8-7.4175.868.2158000112.7I568 I571 Q572 M601 A602 L631 R634I568-I605 HydrophobicContact CG2-CD1 4.12Å; I568-I605 HydrophobicContact CG2-CG2 4.06Å; I571-I605 HydrophobicContact CB-CD1 4.33Å; I571-I605 HydrophobicContact CD1-CD1 4.42Å; I571-I605 HydrophobicContact CG2-CD1 3.91Å; Q572-I605 HydrophobicContact CB-CG2 4.16Å; M601-I605 PolarHBondContact O-N 2.87Å; A602-I605 WeakPolarHBondContact O-CG1 3.44Å; A602-I605 PolarHBondContact O-N 2.9Å; I605-L631 HydrophobicContact CD1-CD2 3.96Å; I605-R634 HydrophobicContact CD1-CG 4.12Å; I605-R634 HydrophobicContact CG1-CG 4.43Å; I605-R634 WeakPolarHBondContact O-CD 3.5Å; I605-R634 PolarHBondContact O-NE 3.3Å; I605-R634 PolarHBondContact O-NH2 3.18Å
606G92.5Very high95.6Very high26 Ų2617 Ų1727%0.2688%0.082SC..THydrogen-bonded Turntrans106.49.2174.900000115.3N202 A602 R603 R604N202-G606 WeakPolarHBondContact ND2-CA 3.35Å; A602-G606 PolarHBondContact O-N 3.43Å; R603-G606 WeakPolarHBondContact O-CA 3.47Å; R603-G606 PolarHBondContact O-N 2.9Å; R604-G606 PolarHBondContact O-N 2.94Å
607A92.9Very high95.6Very high2 Ų216.4 Ų16.42%0.0178%0.082CC..  trans-79.1131.1175.700000111.1A602 R603 V609 C630 L631 R634A602-A607 HydrophobicContact CB-CB 4.33Å; A602-A607 VanDerWaalsContact O-CB 3.27Å; A602-A607 WeakPolarHBondContact O-CB 3.2Å; A602-A607 PolarHBondContact O-N 3.33Å; R603-A607 WeakPolarHBondContact CA-O 3.26Å; A607-V609 VanDerWaalsContact C-N 3.34Å; A607-V609 HydrophobicContact CB-CG2 4.05Å; A607-V609 PolarHBondContact O-N 3.13Å; A607-C630 HydrophobicContact CB-CB 4.3Å; A607-L631 HydrophobicContact CB-CD2 4.06Å; A607-R634 HydrophobicContact CB-CB 4.43Å
608R89.5Confident95.6Very high127 Ų12720.4 Ų20.448%0.47910%0.1SC..  trans-82.775.4-179.3-67.5-178.3179.2-178.3-1.2111.2C630R608-C630 PolarHBondContact O-SG 2.6Å
609V92.8Very high95.5Very high3 Ų320.8 Ų20.82%0.01810%0.103CC..  trans-96.1118.2-175.8178.70000111.5V599 A602 R603 A607 A611 V627 C630V599-V609 HydrophobicContact CG1-CG1 4.41Å; A602-V609 HydrophobicContact CB-CG2 3.89Å; R603-V609 HydrophobicContact CG-CB 4.49Å; R603-V609 PolarHBondContact NE-O 3.14Å; R603-V609 PolarHBondContact NH2-O 3.36Å; R603-V609 VanDerWaalsContact NH2-O 3.09Å; A607-V609 VanDerWaalsContact C-N 3.34Å; A607-V609 HydrophobicContact CB-CG2 4.05Å; A607-V609 PolarHBondContact O-N 3.13Å; V609-A611 HydrophobicContact CG1-CB 3.92Å; V609-V627 HydrophobicContact CG1-CG2 3.81Å; V609-C630 HydrophobicContact CG2-CB 4.07Å
610Y92.9Very high95.4Very high15 Ų1525 Ų256%0.05912%0.121CC..  trans-94.9-13.8173.1-67.5-89.6000113.5S205 A206 W415 S418 M511S205-Y610 WeakPolarHBondContact O-CE1 3.46Å; S205-Y610 PolarHBondContact OG-OH 2.7Å; A206-Y610 HydrophobicContact CB-CD1 4.44Å; W415-Y610 HydrophobicContact CB-CD1 4.03Å; W415-Y610 HydrophobicContact CB-CE1 4.1Å; W415-Y610 HydrophobicContact CB-CG 4.36Å; W415-Y610 AromaticContact CD1-CE2 3.84Å; W415-Y610 AromaticContact CD1-CZ 3.97Å; S418-Y610 PolarHBondContact OG-OH 3.18Å; M511-Y610 HydrophobicContact CE-CD2 4.12Å; M511-Y610 HydrophobicContact CE-CG 4.18Å
611A92.6Very high95.2Very high0 Ų027.4 Ų27.40%014%0.136CC..  trans-59.8144.4176.600000111.3V609 D615 M623 V627V609-A611 HydrophobicContact CG1-CB 3.92Å; A611-D615 HydrophobicContact CB-CB 4.47Å; A611-M623 VanDerWaalsContact CA-CE 3.48Å; A611-M623 HydrophobicContact CB-CB 4.2Å; A611-M623 HydrophobicContact CB-CE 3.81Å; A611-V627 HydrophobicContact CB-CG2 3.39Å
612L93.9Very high94.9Very high35 Ų3530.9 Ų30.918%0.18315%0.151CC..  trans-94.6157.5176.1-64.9168.6000110.2R407 E614 D615R407-L612 HydrophobicContact CG-CD1 3.29Å; L612-E614 WeakPolarHBondContact CB-OE2 3.48Å; L612-E614 PolarHBondContact O-N 2.73Å; L612-D615 PolarHBondContact N-OD2 3.28Å; L612-D615 WeakPolarHBondContact O-CB 3.44Å; L612-D615 PolarHBondContact O-N 3.46Å
613P95.8Very high94.6Very high13 Ų1331.3 Ų31.38%0.08415%0.154CC..Hα-helixtrans-51.8-40.2179.8-28.536.7000113.2A595 K596 D615 L616 V617A595-P613 HydrophobicContact CB-CB 3.82Å; A595-P613 WeakPolarHBondContact CB-O 3.46Å; K596-P613 HydrophobicContact CB-CG 4.32Å; K596-P613 HydrophobicContact CG-CB 3.87Å; K596-P613 HydrophobicContact CG-CG 3.56Å; P613-D615 VanDerWaalsContact C-N 3.26Å; P613-D615 PolarHBondContact O-N 2.95Å; P613-L616 WeakPolarHBondContact O-CB 3.1Å; P613-L616 PolarHBondContact O-N 3.47Å; P613-L616 VanDerWaalsContact O-N 3.15Å; P613-V617 PolarHBondContact O-N 2.72Å
614E95.5Very high94.6Very high62 Ų6231 Ų3129%0.2915%0.152SC..Hα-helixtrans-65.3-28.1179.9-55.481.6-177.800112.5H592 L612 L616 V617 E618H592-E614 IonicContact CE1-OE1 2.64Å; H592-E614 PolarHBondContact CE1-OE1 2.88Å; H592-E614 VanDerWaalsContact CE1-OE1 3.3Å; L612-E614 WeakPolarHBondContact CB-OE2 3.48Å; L612-E614 PolarHBondContact O-N 2.73Å; E614-L616 VanDerWaalsContact C-N 3.25Å; E614-L616 PolarHBondContact O-N 3.23Å; E614-V617 PolarHBondContact O-N 2.94Å; E614-E618 VanDerWaalsContact O-CB 3.26Å; E614-E618 WeakPolarHBondContact O-CB 3.34Å; E614-E618 WeakPolarHBondContact O-CG 3.23Å; E614-E618 PolarHBondContact O-N 2.75Å
615D95.6Very high94.4Very high9 Ų930.7 Ų30.75%0.04815%0.151CC..Hα-helixtrans-65.7-31.3176-65.5-42.2000112.2R407 A611 L612 P613 V619 K620 M623R407-D615 IonicContact CZ-OD1 3.97Å; R407-D615 IonicContact NE-OD1 3.92Å; R407-D615 PolarHBondContact NE-OD1 3.47Å; R407-D615 IonicContact NH2-OD1 3.14Å; R407-D615 PolarHBondContact NH2-OD1 2.84Å; A611-D615 HydrophobicContact CB-CB 4.47Å; L612-D615 PolarHBondContact N-OD2 3.28Å; L612-D615 WeakPolarHBondContact O-CB 3.44Å; L612-D615 PolarHBondContact O-N 3.46Å; P613-D615 VanDerWaalsContact C-N 3.26Å; P613-D615 PolarHBondContact O-N 2.95Å; D615-V619 WeakPolarHBondContact O-CA 3.41Å; D615-V619 PolarHBondContact O-N 3.05Å; D615-K620 HydrophobicContact CB-CB 4.27Å; D615-K620 HydrophobicContact CB-CG 4.46Å; D615-K620 PolarHBondContact O-N 3.37Å; D615-M623 HydrophobicContact CB-CB 3.69Å; D615-M623 HydrophobicContact CB-CG 4.23Å
616L97.2Very high94.3Very high1 Ų130.8 Ų30.81%0.00515%0.152CC..Hα-helixtrans-75.4-47.6173.4-66.1178.4000111I558 S559 V564 A595 V599 P613 E614 E618 V619 V624 V627I558-L616 HydrophobicContact CG2-CD2 4.3Å; S559-L616 WeakPolarHBondContact CA-O 2.97Å; V564-L616 HydrophobicContact CG2-CD1 4.46Å; V564-L616 HydrophobicContact CG2-CD2 4.25Å; A595-L616 HydrophobicContact CB-CB 4.2Å; A595-L616 HydrophobicContact CB-CD1 4.28Å; V599-L616 HydrophobicContact CG2-CD1 4.02Å; P613-L616 WeakPolarHBondContact O-CB 3.1Å; P613-L616 PolarHBondContact O-N 3.47Å; P613-L616 VanDerWaalsContact O-N 3.15Å; E614-L616 VanDerWaalsContact C-N 3.25Å; E614-L616 PolarHBondContact O-N 3.23Å; L616-E618 PolarHBondContact O-N 3.42Å; L616-V619 WeakPolarHBondContact O-CG2 2.78Å; L616-V619 PolarHBondContact O-N 3.3Å; L616-V619 VanDerWaalsContact O-N 3.12Å; L616-V624 HydrophobicContact CD2-CG2 4.25Å; L616-V627 HydrophobicContact CD2-CG2 4.18Å
617V97.4Very high94.4Very high21 Ų2129.6 Ų29.613%0.12714%0.14CC..Hα-helixtrans-60.4-46.4-179.2179.20000111.2S559 K591 H592 A595 P613 E614 V619S559-V617 WeakPolarHBondContact CB-O 3.4Å; K591-V617 HydrophobicContact CB-CG1 4.22Å; K591-V617 HydrophobicContact CB-CG2 4.14Å; H592-V617 HydrophobicContact CB-CG2 4.37Å; A595-V617 HydrophobicContact CB-CG2 3.93Å; P613-V617 PolarHBondContact O-N 2.72Å; E614-V617 PolarHBondContact O-N 2.94Å; V617-V619 VanDerWaalsContact C-N 3.26Å; V617-V619 PolarHBondContact O-N 3.14Å
618E97.4Very high94.6Very high87 Ų8729.5 Ų29.541%0.40714%0.139SC..THydrogen-bonded Turntrans-79.2-10178.9-64.4169.2-154.300113R407 E614 L616 K620R407-E618 IonicContact CZ-OE1 3.32Å; R407-E618 IonicContact CZ-OE2 3.71Å; R407-E618 IonicContact NH1-OE1 2.88Å; R407-E618 PolarHBondContact NH1-OE1 2.79Å; R407-E618 IonicContact NH1-OE2 3.59Å; R407-E618 PolarHBondContact NH1-OE2 2.84Å; R407-E618 IonicContact NH2-OE1 2.86Å; R407-E618 IonicContact NH2-OE2 3.71Å; R407-E618 PolarHBondContact NH2-OE2 3.47Å; E614-E618 VanDerWaalsContact O-CB 3.26Å; E614-E618 WeakPolarHBondContact O-CB 3.34Å; E614-E618 WeakPolarHBondContact O-CG 3.23Å; E614-E618 PolarHBondContact O-N 2.75Å; L616-E618 PolarHBondContact O-N 3.42Å; E618-K620 HydrophobicContact CB-CG 4.34Å; E618-K620 WeakPolarHBondContact OE2-CE 3.28Å; E618-K620 IonicContact OE2-NZ 3.17Å; E618-K620 PolarHBondContact OE2-NZ 3.26Å
619V97.3Very high94.7Very high8 Ų823.5 Ų23.55%0.04812%0.117CC..THydrogen-bonded Turntrans56.458.8-177.2-166.10000111.2D555 K556 I558 D615 L616 V617 P621 V624D555-V619 WeakPolarHBondContact O-CG1 3.26Å; K556-V619 HydrophobicContact CD-CG2 4.38Å; I558-V619 HydrophobicContact CB-CG1 4.42Å; I558-V619 HydrophobicContact CB-CG2 4.45Å; D615-V619 WeakPolarHBondContact O-CA 3.41Å; D615-V619 PolarHBondContact O-N 3.05Å; L616-V619 WeakPolarHBondContact O-CG2 2.78Å; L616-V619 PolarHBondContact O-N 3.3Å; L616-V619 VanDerWaalsContact O-N 3.12Å; V617-V619 VanDerWaalsContact C-N 3.26Å; V617-V619 PolarHBondContact O-N 3.14Å; V619-P621 WeakPolarHBondContact O-CD 3.41Å; V619-V624 HydrophobicContact CG1-CG2 4.39Å
620K95.7Very high94.7Very high94 Ų9424.5 Ų24.541%0.40912%0.123SC..  trans-74.9105.7174.8-66.2-66.3178.2175.20109.4D615 E618 K622 M623 V624D615-K620 HydrophobicContact CB-CB 4.27Å; D615-K620 HydrophobicContact CB-CG 4.46Å; D615-K620 PolarHBondContact O-N 3.37Å; E618-K620 HydrophobicContact CB-CG 4.34Å; E618-K620 WeakPolarHBondContact OE2-CE 3.28Å; E618-K620 IonicContact OE2-NZ 3.17Å; E618-K620 PolarHBondContact OE2-NZ 3.26Å; K620-K622 VanDerWaalsContact C-N 3.3Å; K620-K622 PolarHBondContact O-N 3.12Å; K620-K622 VanDerWaalsContact O-N 3.12Å; K620-M623 HydrophobicContact CB-CB 4.32Å; K620-M623 PolarHBondContact O-N 2.89Å; K620-V624 WeakPolarHBondContact O-CG2 3.47Å; K620-V624 PolarHBondContact O-N 3.43Å
621P93.7Very high94.8Very high52 Ų5223.8 Ų23.834%0.33812%0.121SC..Hα-helixtrans-62.1-35.3-162.4-2637.1000114.2F553 K554 V619 M625F553-P621 HydrophobicContact CB-CB 4.41Å; K554-P621 HydrophobicContact CG-CB 3.99Å; K554-P621 HydrophobicContact CG-CG 3.68Å; V619-P621 WeakPolarHBondContact O-CD 3.41Å; P621-M625 WeakPolarHBondContact O-CB 3.49Å; P621-M625 PolarHBondContact O-N 3.19Å
622K91.8Very high94.8Very high74 Ų7424.1 Ų24.132%0.32212%0.122SC..Hα-helixtrans-57.1-52.7174.2-71.6-174.5-178.2177.10111.4E408 W508 K620 M625 T626E408-K622 IonicContact OE1-NZ 2.66Å; E408-K622 PolarHBondContact OE1-NZ 3.32Å; W508-K622 HydrophobicContact CD2-CB 4.32Å; W508-K622 HydrophobicContact CD2-CD 3.57Å; W508-K622 HydrophobicContact CD2-CG 4Å; W508-K622 HydrophobicContact CE3-CB 4.09Å; W508-K622 HydrophobicContact CE3-CD 3.9Å; W508-K622 HydrophobicContact CE3-CG 4.27Å; W508-K622 HydrophobicContact CG-CD 3.95Å; W508-K622 VanDerWaalsContact CH2-CA 3.49Å; W508-K622 HydrophobicContact CH2-CB 3.41Å; W508-K622 VanDerWaalsContact CH2-CB 3.41Å; W508-K622 HydrophobicContact CH2-CD 4.41Å; W508-K622 HydrophobicContact CH2-CG 3.88Å; W508-K622 VanDerWaalsContact CH2-O 3.24Å; W508-K622 WeakPolarHBondContact CH2-O 3.31Å; W508-K622 HydrophobicContact CZ2-CB 3.65Å; W508-K622 HydrophobicContact CZ2-CD 4.12Å; W508-K622 HydrophobicContact CZ2-CG 3.54Å; W508-K622 HydrophobicContact CZ3-CB 3.64Å; W508-K622 HydrophobicContact CZ3-CD 4.31Å; W508-K622 HydrophobicContact CZ3-CG 4.22Å; K620-K622 VanDerWaalsContact C-N 3.3Å; K620-K622 PolarHBondContact O-N 3.12Å; K620-K622 VanDerWaalsContact O-N 3.12Å; K622-M625 PolarHBondContact O-N 3.19Å; K622-T626 PolarHBondContact O-N 3.15Å
623M93.2Very high94.6Very high9 Ų922.6 Ų22.64%0.04412%0.115CC..Hα-helixtrans-74.8-36-176.4-62.9-49-63.400112.3T411 A611 D615 K620 M625 T626 V627T411-M623 HydrophobicContact CG2-CE 3.55Å; T411-M623 HydrophobicContact CG2-SD 4.35Å; A611-M623 VanDerWaalsContact CA-CE 3.48Å; A611-M623 HydrophobicContact CB-CB 4.2Å; A611-M623 HydrophobicContact CB-CE 3.81Å; D615-M623 HydrophobicContact CB-CB 3.69Å; D615-M623 HydrophobicContact CB-CG 4.23Å; K620-M623 HydrophobicContact CB-CB 4.32Å; K620-M623 PolarHBondContact O-N 2.89Å; M623-M625 VanDerWaalsContact C-N 3.31Å; M623-M625 PolarHBondContact O-N 3.35Å; M623-T626 PolarHBondContact O-N 3.07Å; M623-T626 PolarHBondContact O-OG1 3.49Å; M623-V627 WeakPolarHBondContact O-CG2 3.28Å; M623-V627 PolarHBondContact O-N 2.88Å; M623-V627 VanDerWaalsContact O-N 3.09Å
624V95.9Very high94.3Very high0 Ų025.3 Ų25.30%012%0.123CC..Hα-helixtrans-59.4-44.1172.3171.40000110.8F553 I558 L616 V619 K620 T626 V627 F628F553-V624 HydrophobicContact CB-CB 4.39Å; F553-V624 HydrophobicContact CB-CG1 4.02Å; F553-V624 HydrophobicContact CD1-CG1 4.15Å; I558-V624 HydrophobicContact CD1-CG1 3.72Å; I558-V624 HydrophobicContact CG2-CG1 4.04Å; I558-V624 HydrophobicContact CG2-CG2 4.24Å; L616-V624 HydrophobicContact CD2-CG2 4.25Å; V619-V624 HydrophobicContact CG1-CG2 4.39Å; K620-V624 WeakPolarHBondContact O-CG2 3.47Å; K620-V624 PolarHBondContact O-N 3.43Å; V624-T626 VanDerWaalsContact C-N 3.35Å; V624-T626 PolarHBondContact O-N 3.46Å; V624-V627 PolarHBondContact O-N 3.37Å; V624-F628 HydrophobicContact CG1-CD2 3.82Å; V624-F628 HydrophobicContact CG1-CE2 3.69Å; V624-F628 VanDerWaalsContact O-CD2 3.27Å; V624-F628 WeakPolarHBondContact O-CD2 3.43Å; V624-F628 PolarHBondContact O-N 3.08Å
625M93.8Very high94Very high4 Ų423.1 Ų23.12%0.0212%0.118CC..Hα-helixtrans-58.8-44.6175.9179.9-86.3-73.200111.9W508 R512 I533 F553 P621 K622 M623 V627 F628 A629W508-M625 HydrophobicContact CH2-CE 3.48Å; W508-M625 VanDerWaalsContact CH2-CE 3.48Å; W508-M625 HydrophobicContact CZ2-CE 3.66Å; R512-M625 HydrophobicContact CB-CE 4.4Å; R512-M625 HydrophobicContact CG-CE 3.72Å; I533-M625 HydrophobicContact CD1-CG 4.49Å; I533-M625 HydrophobicContact CD1-SD 4.49Å; F553-M625 HydrophobicContact CB-CB 4.44Å; F553-M625 HydrophobicContact CD1-CB 4.23Å; F553-M625 HydrophobicContact CD2-CB 3.5Å; F553-M625 HydrophobicContact CD2-CG 3.68Å; F553-M625 HydrophobicContact CE1-CB 4.36Å; F553-M625 HydrophobicContact CE1-CG 4.42Å; F553-M625 HydrophobicContact CE2-CB 3.64Å; F553-M625 HydrophobicContact CE2-CG 3.27Å; F553-M625 HydrophobicContact CG-CB 3.8Å; F553-M625 HydrophobicContact CG-CG 4.39Å; F553-M625 HydrophobicContact CZ-CB 4.07Å; F553-M625 HydrophobicContact CZ-CG 3.7Å; P621-M625 WeakPolarHBondContact O-CB 3.49Å; P621-M625 PolarHBondContact O-N 3.19Å; K622-M625 PolarHBondContact O-N 3.19Å; M623-M625 VanDerWaalsContact C-N 3.31Å; M623-M625 PolarHBondContact O-N 3.35Å; M625-V627 VanDerWaalsContact C-N 3.32Å; M625-V627 PolarHBondContact O-N 3.2Å; M625-F628 PolarHBondContact O-N 3.28Å; M625-A629 VanDerWaalsContact O-CB 3.29Å; M625-A629 WeakPolarHBondContact O-CB 3.47Å; M625-A629 PolarHBondContact O-N 3.09Å; M625-A629 HydrophobicContact SD-CB 4.32Å
626T93.1Very high93.4Very high4 Ų425.5 Ų25.53%0.02513%0.129CC..Hα-helixtrans-66.2-34.2-179.762.60000112.3W508 K622 M623 V624 C630W508-T626 HydrophobicContact CH2-CG2 4.02Å; W508-T626 HydrophobicContact CZ3-CG2 3.95Å; K622-T626 PolarHBondContact O-N 3.15Å; M623-T626 PolarHBondContact O-N 3.07Å; M623-T626 PolarHBondContact O-OG1 3.49Å; V624-T626 VanDerWaalsContact C-N 3.35Å; V624-T626 PolarHBondContact O-N 3.46Å; T626-C630 VanDerWaalsContact O-CB 3.31Å; T626-C630 WeakPolarHBondContact O-CB 3.49Å; T626-C630 PolarHBondContact O-N 3.28Å; T626-C630 PolarHBondContact O-SG 3.26Å
627V95.6Very high92.2Very high2 Ų231.4 Ų31.41%0.01216%0.155CC..Hα-helixtrans-59.1-54.4172.8173.80000110.8V564 V609 A611 L616 M623 V624 M625 A629 C630 L631V564-V627 HydrophobicContact CG1-CG1 4.04Å; V609-V627 HydrophobicContact CG1-CG2 3.81Å; A611-V627 HydrophobicContact CB-CG2 3.39Å; L616-V627 HydrophobicContact CD2-CG2 4.18Å; M623-V627 WeakPolarHBondContact O-CG2 3.28Å; M623-V627 PolarHBondContact O-N 2.88Å; M623-V627 VanDerWaalsContact O-N 3.09Å; V624-V627 PolarHBondContact O-N 3.37Å; M625-V627 VanDerWaalsContact C-N 3.32Å; M625-V627 PolarHBondContact O-N 3.2Å; V627-A629 PolarHBondContact O-N 3.46Å; V627-C630 PolarHBondContact O-N 3.4Å; V627-L631 HydrophobicContact CG1-CD1 4.05Å; V627-L631 WeakPolarHBondContact O-CG 3.32Å; V627-L631 PolarHBondContact O-N 2.98Å
628F95.9Very high90.1Very high0 Ų036.4 Ų36.40%017%0.171CC..Hα-helixtrans-65.9-37.9-178.9-75.5-68.1000112.6I533 V537 I550 F553 I558 V564 L567 V624 M625 L631 M632I533-F628 HydrophobicContact CG2-CB 3.87Å; V537-F628 HydrophobicContact CB-CD1 4.48Å; V537-F628 HydrophobicContact CG1-CD1 4.1Å; V537-F628 HydrophobicContact CG1-CE1 3.97Å; V537-F628 HydrophobicContact CG2-CB 4.13Å; V537-F628 HydrophobicContact CG2-CD1 3.52Å; V537-F628 HydrophobicContact CG2-CE1 4.24Å; V537-F628 HydrophobicContact CG2-CG 4.09Å; I550-F628 HydrophobicContact CD1-CD1 4.34Å; I550-F628 HydrophobicContact CD1-CD2 4.1Å; I550-F628 HydrophobicContact CD1-CE1 4.13Å; I550-F628 HydrophobicContact CD1-CE2 3.88Å; I550-F628 HydrophobicContact CD1-CG 4.34Å; I550-F628 HydrophobicContact CD1-CZ 3.89Å; I550-F628 HydrophobicContact CG2-CZ 4.21Å; F553-F628 HydrophobicContact CD1-CD2 4.03Å; F553-F628 HydrophobicContact CE1-CB 4.08Å; F553-F628 HydrophobicContact CE1-CD2 4.06Å; F553-F628 HydrophobicContact CE1-CG 4.38Å; I558-F628 HydrophobicContact CD1-CE2 4.12Å; V564-F628 HydrophobicContact CG2-CE1 4.24Å; V564-F628 HydrophobicContact CG2-CE2 4.4Å; V564-F628 HydrophobicContact CG2-CZ 3.78Å; L567-F628 HydrophobicContact CD2-CD1 3.47Å; L567-F628 VanDerWaalsContact CD2-CD1 3.47Å; L567-F628 HydrophobicContact CD2-CE1 3.72Å; V624-F628 HydrophobicContact CG1-CD2 3.82Å; V624-F628 HydrophobicContact CG1-CE2 3.69Å; V624-F628 VanDerWaalsContact O-CD2 3.27Å; V624-F628 WeakPolarHBondContact O-CD2 3.43Å; V624-F628 PolarHBondContact O-N 3.08Å; M625-F628 PolarHBondContact O-N 3.28Å; F628-L631 PolarHBondContact O-N 3.22Å; F628-M632 WeakPolarHBondContact O-CB 3.5Å; F628-M632 PolarHBondContact O-N 2.66Å
629A92.9Very high87.1Confident1 Ų141.8 Ų41.81%0.00821%0.21CC..Hα-helixtrans-63.1-44.7174.600000111.8T515 L519 I533 M625 V627 L631 M632 G633T515-A629 HydrophobicContact CG2-CB 3.58Å; L519-A629 HydrophobicContact CD1-CB 4.19Å; L519-A629 WeakPolarHBondContact CD2-O 3.37Å; I533-A629 HydrophobicContact CD1-CB 3.98Å; M625-A629 VanDerWaalsContact O-CB 3.29Å; M625-A629 WeakPolarHBondContact O-CB 3.47Å; M625-A629 PolarHBondContact O-N 3.09Å; M625-A629 HydrophobicContact SD-CB 4.32Å; V627-A629 PolarHBondContact O-N 3.46Å; A629-L631 VanDerWaalsContact C-N 3.34Å; A629-L631 PolarHBondContact O-N 3.25Å; A629-M632 WeakPolarHBondContact O-CB 3.44Å; A629-M632 PolarHBondContact O-N 2.57Å; A629-G633 PolarHBondContact O-N 3.3Å
630C92.4Very high86.6Confident24 Ų2443.5 Ų43.516%0.16222%0.218CC..Hα-helixtrans-64.7-37.8176.5-74.30000112.3A607 R608 V609 T626 V627 G633 R634A607-C630 HydrophobicContact CB-CB 4.3Å; R608-C630 PolarHBondContact O-SG 2.6Å; V609-C630 HydrophobicContact CG2-CB 4.07Å; T626-C630 VanDerWaalsContact O-CB 3.31Å; T626-C630 WeakPolarHBondContact O-CB 3.49Å; T626-C630 PolarHBondContact O-N 3.28Å; T626-C630 PolarHBondContact O-SG 3.26Å; V627-C630 PolarHBondContact O-N 3.4Å; C630-G633 PolarHBondContact O-N 3.15Å; C630-R634 PolarHBondContact O-N 3.04Å; C630-R634 VanDerWaalsContact O-N 3.09Å
631L94.9Very high86.1Confident0 Ų040.8 Ų40.80%021%0.208CC..Hα-helixtrans-65.8-41.9173.8-72.8173.8000111.8V564 L567 I568 I571 A602 I605 A607 V627 F628 A629 R634 G635V564-L631 HydrophobicContact CG1-CD1 3.99Å; L567-L631 HydrophobicContact CD2-CB 4.11Å; L567-L631 HydrophobicContact CD2-CD1 3.85Å; L567-L631 HydrophobicContact CG-CD1 4.43Å; I568-L631 HydrophobicContact CD1-CD2 4.49Å; I568-L631 HydrophobicContact CG1-CD1 4.18Å; I568-L631 HydrophobicContact CG1-CD2 3.68Å; I571-L631 HydrophobicContact CD1-CB 3.83Å; I571-L631 HydrophobicContact CD1-CD2 4.09Å; I571-L631 HydrophobicContact CD1-CG 4.49Å; I571-L631 WeakPolarHBondContact CD1-O 3.22Å; A602-L631 HydrophobicContact CB-CD2 3.9Å; I605-L631 HydrophobicContact CD1-CD2 3.96Å; A607-L631 HydrophobicContact CB-CD2 4.06Å; V627-L631 HydrophobicContact CG1-CD1 4.05Å; V627-L631 WeakPolarHBondContact O-CG 3.32Å; V627-L631 PolarHBondContact O-N 2.98Å; F628-L631 PolarHBondContact O-N 3.22Å; A629-L631 VanDerWaalsContact C-N 3.34Å; A629-L631 PolarHBondContact O-N 3.25Å; L631-R634 PolarHBondContact O-N 3.13Å; L631-R634 VanDerWaalsContact O-N 3.16Å; L631-G635 PolarHBondContact O-N 3.35Å
632M92.9Very high85.7Confident6 Ų640.2 Ų40.23%0.0320%0.201CC..Hα-helixtrans-58.8-47.9172.9-179174.8-177.400112L519 I532 I533 W536 F628 A629 R634 G635 M636L519-M632 HydrophobicContact CD1-SD 4.23Å; L519-M632 HydrophobicContact CD2-CB 4.13Å; L519-M632 HydrophobicContact CD2-CG 3.98Å; L519-M632 HydrophobicContact CD2-SD 4.43Å; I532-M632 HydrophobicContact CG2-CE 4.02Å; I533-M632 HydrophobicContact CB-SD 4.29Å; I533-M632 HydrophobicContact CG1-SD 3.91Å; I533-M632 HydrophobicContact CG2-SD 4.44Å; W536-M632 HydrophobicContact CB-CE 3.77Å; W536-M632 HydrophobicContact CB-SD 3.98Å; W536-M632 HydrophobicContact CD2-CB 3.99Å; W536-M632 HydrophobicContact CD2-CE 4.32Å; W536-M632 HydrophobicContact CD2-CG 3.54Å; W536-M632 HydrophobicContact CD2-SD 4.04Å; W536-M632 HydrophobicContact CE3-CB 3.54Å; W536-M632 HydrophobicContact CE3-CG 3.64Å; W536-M632 HydrophobicContact CE3-SD 4.17Å; W536-M632 HydrophobicContact CG-CE 3.71Å; W536-M632 HydrophobicContact CG-CG 3.96Å; W536-M632 HydrophobicContact CG-SD 3.94Å; W536-M632 VanDerWaalsContact CH2-CA 3.43Å; W536-M632 HydrophobicContact CH2-CB 4.09Å; W536-M632 HydrophobicContact CH2-CG 4.47Å; W536-M632 HydrophobicContact CZ2-CB 4.44Å; W536-M632 HydrophobicContact CZ2-CG 4.35Å; W536-M632 VanDerWaalsContact CZ3-CA 3.4Å; W536-M632 HydrophobicContact CZ3-CB 3.6Å; W536-M632 HydrophobicContact CZ3-CG 4.11Å; F628-M632 WeakPolarHBondContact O-CB 3.5Å; F628-M632 PolarHBondContact O-N 2.66Å; A629-M632 WeakPolarHBondContact O-CB 3.44Å; A629-M632 PolarHBondContact O-N 2.57Å; M632-R634 PolarHBondContact O-N 2.72Å; M632-G635 PolarHBondContact O-N 2.99Å; M632-G635 VanDerWaalsContact O-N 3.11Å; M632-M636 HydrophobicContact CE-CE 3.29Å; M632-M636 HydrophobicContact CE-SD 3.47Å; M632-M636 WeakPolarHBondContact CE-SD 3.41Å; M632-M636 HydrophobicContact CG-CG 4.27Å; M632-M636 HydrophobicContact CG-SD 3.82Å; M632-M636 WeakPolarHBondContact O-CB 3.39Å; M632-M636 WeakPolarHBondContact O-CG 3.39Å; M632-M636 PolarHBondContact O-N 3.37Å; M632-M636 HydrophobicContact SD-SD 4.49Å
633G89Confident85.3Confident3 Ų338.2 Ų38.23%0.03119%0.193CC..Hα-helixtrans-61-30.217700000112.7L519 L522 A629 C630 K637L519-G633 VanDerWaalsContact CD2-CA 3.43Å; L519-G633 VanDerWaalsContact CD2-N 3.31Å; L522-G633 WeakPolarHBondContact CD1-O 3.3Å; A629-G633 PolarHBondContact O-N 3.3Å; C630-G633 PolarHBondContact O-N 3.15Å; G633-K637 WeakPolarHBondContact O-CG 3.45Å
634R89.9Confident84.8Confident71 Ų7140.1 Ų40.127%0.26820%0.203SC..Hα-helixtrans-75.6-44.3172.1-179.753179.1146.8-7.5112.5I571 I605 A607 C630 L631 M632 K637I571-R634 HydrophobicContact CG2-CG 4.34Å; I605-R634 HydrophobicContact CD1-CG 4.12Å; I605-R634 HydrophobicContact CG1-CG 4.43Å; I605-R634 WeakPolarHBondContact O-CD 3.5Å; I605-R634 PolarHBondContact O-NE 3.3Å; I605-R634 PolarHBondContact O-NH2 3.18Å; A607-R634 HydrophobicContact CB-CB 4.43Å; C630-R634 PolarHBondContact O-N 3.04Å; C630-R634 VanDerWaalsContact O-N 3.09Å; L631-R634 PolarHBondContact O-N 3.13Å; L631-R634 VanDerWaalsContact O-N 3.16Å; M632-R634 PolarHBondContact O-N 2.72Å; R634-K637 PolarHBondContact O-N 3.19Å
635G87.9Confident84.1Confident16 Ų1642.7 Ų42.717%0.16522%0.216CC..Hα-helixtrans-64.6-37.3-179.200000113.4L631 M632 K637 R638L631-G635 PolarHBondContact O-N 3.35Å; M632-G635 PolarHBondContact O-N 2.99Å; M632-G635 VanDerWaalsContact O-N 3.11Å; G635-K637 PolarHBondContact O-N 3.32Å; G635-R638 PolarHBondContact O-N 3.48Å
636M83.9Confident83.4Confident58 Ų5845.5 Ų45.529%0.28623%0.23SC..Hα-helixtrans-74.6-22-179.6-70.9-177.1139.500114.2L522 M632 R638L522-M636 HydrophobicContact CB-CB 4.33Å; L522-M636 HydrophobicContact CD1-CB 4.39Å; M632-M636 HydrophobicContact CE-CE 3.29Å; M632-M636 HydrophobicContact CE-SD 3.47Å; M632-M636 WeakPolarHBondContact CE-SD 3.41Å; M632-M636 HydrophobicContact CG-CG 4.27Å; M632-M636 HydrophobicContact CG-SD 3.82Å; M632-M636 WeakPolarHBondContact O-CB 3.39Å; M632-M636 WeakPolarHBondContact O-CG 3.39Å; M632-M636 PolarHBondContact O-N 3.37Å; M632-M636 HydrophobicContact SD-SD 4.49Å; M636-R638 PolarHBondContact O-N 3.15Å; M636-R638 VanDerWaalsContact O-N 3.15Å
637K70.8Confident82.7Confident126 Ų12648.7 Ų48.755%0.54825%0.246SC..THydrogen-bonded Turntrans-70.4-0.7175.4-79.3-179.3179.5-1730114.4L522 G633 R634 G635 V639L522-K637 HydrophobicContact CD1-CD 4.48Å; L522-K637 HydrophobicContact CD1-CG 3.89Å; L522-K637 HydrophobicContact CD2-CD 4.26Å; L522-K637 HydrophobicContact CD2-CG 3.39Å; L522-K637 HydrophobicContact CG-CG 4.3Å; G633-K637 WeakPolarHBondContact O-CG 3.45Å; R634-K637 PolarHBondContact O-N 3.19Å; G635-K637 PolarHBondContact O-N 3.32Å; K637-V639 VanDerWaalsContact C-N 3.34Å; K637-V639 PolarHBondContact O-N 3.03Å
638R53.8Low81.6Confident125 Ų12552.6 Ų52.647%0.47227%0.266SS..THydrogen-bonded Turntrans-88.616.7-176.3-85.7-172.1162.5-151.2-7.7114.7I571 G635 M636I571-R638 PolarHBondContact O-NE 2.93Å; I571-R638 PolarHBondContact O-NH1 3.25Å; G635-R638 PolarHBondContact O-N 3.48Å; M636-R638 PolarHBondContact O-N 3.15Å; M636-R638 VanDerWaalsContact O-N 3.15Å
639V34.9Very low80.3Confident201 Ų20157.4 Ų57.4100%1.21829%0.29SS*.  trans-900173.7-171.50000110.9K637K637-V639 VanDerWaalsContact C-N 3.34Å; K637-V639 PolarHBondContact O-N 3.03Å

Retrieved 639 of 639 residues in 4182.5 ms (Link to these results)

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