A0A093HVK8_STRCA Loading...

Clavesin-2

Required for normal morphology of late endosomes and/or lysosomes in neurons. Binds phosphatidylinositol 3,5-bisphosphate (PtdIns(3,5)P2).

AlphaFold DB , UniProt , Accession A0A093HVK8, Species STRCA (Struthio camelus australis), Gene n/a, Length 327 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
1M55.7Low84.1Confident190 Ų19072 Ų7294%0.93642%0.422SS*.  01280-72.9-174.5-135.600108.2L13M1-L13 HydrophobicContact CE-CD1 4.41Å; M1-L13 HydrophobicContact SD-CD1 4.16Å
2T71.7Confident85.2Confident32 Ų3266.7 Ų66.720%0.19639%0.391CS..  trans-78.4158.4171.459.60000109.3L4 Q5T2-L4 PolarHBondContact O-N 3.39Å; T2-L4 VanDerWaalsContact O-N 3.16Å; T2-Q5 PolarHBondContact O-N 3.39Å
3H81.2Confident86.1Confident134 Ų13464.3 Ų64.362%0.6238%0.375SS*.G310 helixtrans-59.6-24.6175.573-80.8000112.6Q5 A6H3-Q5 PolarHBondContact O-N 3.19Å; H3-A6 WeakPolarHBondContact O-CB 3.16Å; H3-A6 PolarHBondContact O-N 3.04Å
4L77.5Confident86.8Confident17 Ų1765.8 Ų65.89%0.08938%0.377CS..G310 helixtrans-72.1-15176.7-63.4173.1000114T2 L27 I31 D51 L55T2-L4 PolarHBondContact O-N 3.39Å; T2-L4 VanDerWaalsContact O-N 3.16Å; L4-L27 HydrophobicContact CB-CD2 3.67Å; L4-L27 HydrophobicContact CD1-CD2 3.92Å; L4-L27 HydrophobicContact CD1-CG 4.24Å; L4-L27 HydrophobicContact CG-CD2 4.45Å; L4-I31 HydrophobicContact CD1-CD1 3.69Å; L4-D51 HydrophobicContact CD1-CB 4.16Å; L4-D51 HydrophobicContact CD2-CB 3.66Å; L4-L55 HydrophobicContact CB-CD2 4.13Å
5Q84.2Confident87.5Confident6 Ų663.9 Ų63.93%0.02836%0.363CS..G310 helixtrans-104.42.5173.5-66.5-177.1-45.700112.2T2 H3 G7 L8 L13 E22 L27T2-Q5 PolarHBondContact O-N 3.39Å; H3-Q5 PolarHBondContact O-N 3.19Å; Q5-G7 PolarHBondContact O-N 2.7Å; Q5-L8 PolarHBondContact O-N 3.09Å; Q5-L13 HydrophobicContact CB-CD2 4.16Å; Q5-L13 HydrophobicContact CG-CD2 4.41Å; Q5-E22 PolarHBondContact NE2-OE1 3.16Å; Q5-L27 HydrophobicContact CG-CD2 4.09Å
6A83.8Confident88.2Confident67 Ų6759.9 Ų59.955%0.55434%0.34SS*.THydrogen-bonded Turntrans-59.7133.5173.400000109.6H3H3-A6 WeakPolarHBondContact O-CB 3.16Å; H3-A6 PolarHBondContact O-N 3.04Å
7G87.6Confident88.7Confident60 Ų6063.8 Ų63.862%0.61935%0.348SS*.THydrogen-bonded Turntrans96.4-8.8-177.900000115.3Q5Q5-G7 PolarHBondContact O-N 2.7Å
8L95Very high89.2Confident15 Ų1566.1 Ų66.18%0.07936%0.36CS..  trans-85132.3170.7-64.1-176.5000111.7Q5 T12 L13 P151 E152 V155Q5-L8 PolarHBondContact O-N 3.09Å; L8-T12 HydrophobicContact CD2-CG2 3.75Å; L8-L13 HydrophobicContact CB-CD2 3.93Å; L8-L13 HydrophobicContact CB-CG 3.8Å; L8-L13 HydrophobicContact CD1-CD2 3.73Å; L8-L13 HydrophobicContact CD1-CG 4.36Å; L8-L13 HydrophobicContact CG-CD2 4.47Å; L8-P151 VanDerWaalsContact CD2-C 3.44Å; L8-P151 HydrophobicContact CD2-CB 3.73Å; L8-P151 HydrophobicContact CD2-CG 4.3Å; L8-P151 WeakPolarHBondContact CD2-O 3.46Å; L8-P151 HydrophobicContact CG-CB 4.23Å; L8-E152 HydrophobicContact CD2-CG 4.45Å; L8-V155 HydrophobicContact CD1-CG2 4.32Å; L8-V155 HydrophobicContact CD2-CG2 4.13Å
9S95.9Very high89.6Confident36 Ų3667.1 Ų67.125%0.25236%0.361SS..  trans-65.8157.4167.259.80000111.7E11 T12 L13 E152S9-E11 VanDerWaalsContact C-N 3.25Å; S9-E11 PolarHBondContact O-N 3.39Å; S9-T12 PolarHBondContact O-N 2.8Å; S9-T12 WeakPolarHBondContact OG-CB 3.4Å; S9-T12 PolarHBondContact OG-N 3.39Å; S9-T12 PolarHBondContact OG-OG1 3.31Å; S9-T12 VanDerWaalsContact OG-OG1 3.06Å; S9-L13 WeakPolarHBondContact O-CG 3.46Å; S9-L13 PolarHBondContact O-N 2.73Å; S9-E152 WeakPolarHBondContact CB-OE1 3.24Å; S9-E152 PolarHBondContact N-OE1 3.3Å; S9-E152 PolarHBondContact OG-OE1 3.39Å
10P95.9Very high90Very high95 Ų9563.7 Ų63.762%0.61734%0.343SS*.Hα-helixtrans-54.9-40175.4-26.135.7000113.5L13 E14P10-L13 PolarHBondContact O-N 3.45Å; P10-E14 PolarHBondContact O-N 3.31Å; P10-E14 VanDerWaalsContact O-N 3.09Å
11E96.3Very high90.4Very high140 Ų14065.2 Ų65.265%0.65435%0.351SS*.Hα-helixtrans-64-44.2178.2-64.674.3-16400111S9 E14 K15S9-E11 VanDerWaalsContact C-N 3.25Å; S9-E11 PolarHBondContact O-N 3.39Å; E11-E14 PolarHBondContact O-N 2.88Å; E11-K15 WeakPolarHBondContact O-CB 3.45Å; E11-K15 PolarHBondContact O-N 3.27Å
12T97.1Very high92.4Very high8 Ų856.3 Ų56.35%0.04931%0.307CS..Hα-helixtrans-73.2-32.5179.4-620000112.5L8 S9 K15 A16 E152 V155 N156L8-T12 HydrophobicContact CD2-CG2 3.75Å; S9-T12 PolarHBondContact O-N 2.8Å; S9-T12 WeakPolarHBondContact OG-CB 3.4Å; S9-T12 PolarHBondContact OG-N 3.39Å; S9-T12 PolarHBondContact OG-OG1 3.31Å; S9-T12 VanDerWaalsContact OG-OG1 3.06Å; T12-K15 PolarHBondContact O-N 2.92Å; T12-A16 WeakPolarHBondContact O-CB 3.22Å; T12-A16 PolarHBondContact O-N 2.69Å; T12-E152 WeakPolarHBondContact CB-OE1 3.45Å; T12-E152 WeakPolarHBondContact CB-OE2 3.36Å; T12-E152 VanDerWaalsContact CG2-OE2 3.25Å; T12-E152 WeakPolarHBondContact CG2-OE2 3.29Å; T12-E152 VanDerWaalsContact OG1-CD 3.31Å; T12-E152 PolarHBondContact OG1-OE1 3.39Å; T12-E152 PolarHBondContact OG1-OE2 2.98Å; T12-V155 HydrophobicContact CG2-CB 3.47Å; T12-V155 VanDerWaalsContact CG2-CB 3.47Å; T12-V155 HydrophobicContact CG2-CG1 3.49Å; T12-V155 VanDerWaalsContact CG2-CG1 3.49Å; T12-V155 HydrophobicContact CG2-CG2 3.91Å; T12-N156 PolarHBondContact OG1-ND2 3.43Å
13L96.8Very high93.5Very high36 Ų3657.8 Ų57.819%0.18831%0.314CS..Hα-helixtrans-59.6-46.8170.3-78.2168.7000111.3M1 Q5 L8 S9 P10 K15 A16 R17M1-L13 HydrophobicContact CE-CD1 4.41Å; M1-L13 HydrophobicContact SD-CD1 4.16Å; Q5-L13 HydrophobicContact CB-CD2 4.16Å; Q5-L13 HydrophobicContact CG-CD2 4.41Å; L8-L13 HydrophobicContact CB-CD2 3.93Å; L8-L13 HydrophobicContact CB-CG 3.8Å; L8-L13 HydrophobicContact CD1-CD2 3.73Å; L8-L13 HydrophobicContact CD1-CG 4.36Å; L8-L13 HydrophobicContact CG-CD2 4.47Å; S9-L13 WeakPolarHBondContact O-CG 3.46Å; S9-L13 PolarHBondContact O-N 2.73Å; P10-L13 PolarHBondContact O-N 3.45Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-K15 PolarHBondContact O-N 3.16Å; L13-A16 PolarHBondContact O-N 3.32Å; L13-R17 PolarHBondContact O-N 3.06Å
14E96.9Very high94Very high85 Ų8553.7 Ų53.740%0.39730%0.3SS..Hα-helixtrans-65.7-39.5178.4-17960.2-177.800111.4P10 E11 R17 L18P10-E14 PolarHBondContact O-N 3.31Å; P10-E14 VanDerWaalsContact O-N 3.09Å; E11-E14 PolarHBondContact O-N 2.88Å; E14-R17 PolarHBondContact O-N 3.18Å; E14-R17 IonicContact OE1-CZ 3.03Å; E14-R17 IonicContact OE1-NE 3.94Å; E14-R17 IonicContact OE1-NH2 2.65Å; E14-R17 PolarHBondContact OE1-NH2 2.98Å; E14-R17 IonicContact OE2-CZ 2.77Å; E14-R17 IonicContact OE2-NE 3.1Å; E14-R17 PolarHBondContact OE2-NE 3.29Å; E14-R17 IonicContact OE2-NH2 2.67Å; E14-R17 PolarHBondContact OE2-NH2 3.03Å; E14-L18 HydrophobicContact CG-CD1 3.91Å; E14-L18 HydrophobicContact CG-CG 4.4Å; E14-L18 WeakPolarHBondContact O-CB 3.49Å; E14-L18 WeakPolarHBondContact O-CG 3.42Å; E14-L18 PolarHBondContact O-N 3.45Å; E14-L18 WeakPolarHBondContact OE1-CD1 3.35Å
15K97.4Very high94.8Very high37 Ų3760.1 Ų60.116%0.16133%0.334CS..Hα-helixtrans-62.2-43.3173.2-173177179.2-179.90112.5E11 T12 L13 R17 L18 E19 Y114 V155 N156E11-K15 WeakPolarHBondContact O-CB 3.45Å; E11-K15 PolarHBondContact O-N 3.27Å; T12-K15 PolarHBondContact O-N 2.92Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-K15 PolarHBondContact O-N 3.16Å; K15-R17 VanDerWaalsContact C-N 3.32Å; K15-R17 PolarHBondContact O-N 2.78Å; K15-L18 PolarHBondContact O-N 2.88Å; K15-E19 WeakPolarHBondContact CE-OE1 3.45Å; K15-E19 HydrophobicContact CG-CG 4.07Å; K15-E19 WeakPolarHBondContact O-CB 3.48Å; K15-E19 PolarHBondContact O-N 3.12Å; K15-Y114 PolarHBondContact NZ-O 2.9Å; K15-V155 HydrophobicContact CB-CG1 4.45Å; K15-V155 HydrophobicContact CD-CG1 4.41Å; K15-V155 HydrophobicContact CG-CG1 4.33Å; K15-N156 WeakPolarHBondContact CD-OD1 3.43Å; K15-N156 WeakPolarHBondContact CE-OD1 3.5Å; K15-N156 PolarHBondContact NZ-OD1 2.99Å
16A97.6Very high95.4Very high1 Ų162.3 Ų62.31%0.00835%0.348CS..Iπ-helixtrans-61.1-43.6176.700000111T12 L13 L20 N21 E22 V155T12-A16 WeakPolarHBondContact O-CB 3.22Å; T12-A16 PolarHBondContact O-N 2.69Å; L13-A16 PolarHBondContact O-N 3.32Å; A16-L20 HydrophobicContact CB-CD1 4.4Å; A16-L20 CarbonylContact O-C 3.47Å; A16-L20 WeakPolarHBondContact O-CA 3.28Å; A16-L20 VanDerWaalsContact O-CB 3.22Å; A16-L20 WeakPolarHBondContact O-CB 3.4Å; A16-L20 PolarHBondContact O-N 3.18Å; A16-N21 PolarHBondContact O-N 3.5Å; A16-E22 HydrophobicContact CB-CB 3.97Å; A16-E22 PolarHBondContact O-N 3.26Å; A16-E22 VanDerWaalsContact O-N 3.16Å; A16-V155 HydrophobicContact CB-CG1 3.95Å; A16-V155 HydrophobicContact CB-CG2 4Å
17R97.3Very high95.9Very high125 Ų12559.1 Ų59.147%0.47232%0.322SS..Iπ-helixtrans-61.3-48.3175.8-167.2-170.269.577.1-3112L13 E14 K15 N21L13-R17 PolarHBondContact O-N 3.06Å; E14-R17 PolarHBondContact O-N 3.18Å; E14-R17 IonicContact OE1-CZ 3.03Å; E14-R17 IonicContact OE1-NE 3.94Å; E14-R17 IonicContact OE1-NH2 2.65Å; E14-R17 PolarHBondContact OE1-NH2 2.98Å; E14-R17 IonicContact OE2-CZ 2.77Å; E14-R17 IonicContact OE2-NE 3.1Å; E14-R17 PolarHBondContact OE2-NE 3.29Å; E14-R17 IonicContact OE2-NH2 2.67Å; E14-R17 PolarHBondContact OE2-NH2 3.03Å; K15-R17 VanDerWaalsContact C-N 3.32Å; K15-R17 PolarHBondContact O-N 2.78Å; R17-N21 WeakPolarHBondContact O-CA 3.31Å; R17-N21 PolarHBondContact O-N 3.09Å
18L97.8Very high96.3Very high106 Ų10660.9 Ų60.956%0.55531%0.313SS*.Iπ-helixtrans-76.9-42.7-174.6-72.3176.5000114E14 K15E14-L18 HydrophobicContact CG-CD1 3.91Å; E14-L18 HydrophobicContact CG-CG 4.4Å; E14-L18 WeakPolarHBondContact O-CB 3.49Å; E14-L18 WeakPolarHBondContact O-CG 3.42Å; E14-L18 PolarHBondContact O-N 3.45Å; E14-L18 WeakPolarHBondContact OE1-CD1 3.35Å; K15-L18 PolarHBondContact O-N 2.88Å
19E97.1Very high96.4Very high84 Ų8465.2 Ų65.239%0.39333%0.333SS..Iπ-helixtrans-96.1-28.4-172.4-65.3-171.8-167.400114.1K15 K62 R194K15-E19 WeakPolarHBondContact CE-OE1 3.45Å; K15-E19 HydrophobicContact CG-CG 4.07Å; K15-E19 WeakPolarHBondContact O-CB 3.48Å; K15-E19 PolarHBondContact O-N 3.12Å; E19-K62 WeakPolarHBondContact O-CD 3.34Å; E19-K62 WeakPolarHBondContact O-CE 3.39Å; E19-K62 PolarHBondContact O-NZ 2.9Å; E19-R194 IonicContact OE2-NH2 3.25Å; E19-R194 PolarHBondContact OE2-NH2 2.67Å
20L97.6Very high96.5Very high0 Ų064.3 Ų64.30%033%0.325CS..Iπ-helixtrans-110.7-9.1-173.8-45.7-176.7000112.8A16 E22 R59 K62 F63 V155A16-L20 HydrophobicContact CB-CD1 4.4Å; A16-L20 CarbonylContact O-C 3.47Å; A16-L20 WeakPolarHBondContact O-CA 3.28Å; A16-L20 VanDerWaalsContact O-CB 3.22Å; A16-L20 WeakPolarHBondContact O-CB 3.4Å; A16-L20 PolarHBondContact O-N 3.18Å; L20-E22 PolarHBondContact O-N 2.97Å; L20-R59 HydrophobicContact CD1-CB 4.1Å; L20-R59 HydrophobicContact CD1-CG 4.23Å; L20-K62 HydrophobicContact CD2-CG 4.07Å; L20-K62 CarbonylContact O-C 2.9Å; L20-K62 WeakPolarHBondContact O-CA 3.25Å; L20-F63 HydrophobicContact CB-CD2 4.33Å; L20-F63 VanDerWaalsContact O-CD2 3.23Å; L20-F63 WeakPolarHBondContact O-CD2 3.18Å; L20-V155 HydrophobicContact CD1-CB 4.35Å; L20-V155 HydrophobicContact CD1-CG1 4.01Å; L20-V155 HydrophobicContact CD1-CG2 4.22Å
21N97.9Very high96.6Very high96 Ų9659.8 Ų59.851%0.51330%0.296SS..  trans61.428.8-173-42.5-64.3000113.1A16 R17 N23 K62A16-N21 PolarHBondContact O-N 3.5Å; R17-N21 WeakPolarHBondContact O-CA 3.31Å; R17-N21 PolarHBondContact O-N 3.09Å; N21-N23 PolarHBondContact O-N 3.35Å; N21-K62 PolarHBondContact ND2-O 3.02Å
22E97.2Very high96.7Very high2 Ų256.4 Ų56.41%0.00928%0.28CS..  trans-68.7118.1175.7-176.6161.7153.600109.9Q5 A16 L20 L27 R59 F63Q5-E22 PolarHBondContact NE2-OE1 3.16Å; A16-E22 HydrophobicContact CB-CB 3.97Å; A16-E22 PolarHBondContact O-N 3.26Å; A16-E22 VanDerWaalsContact O-N 3.16Å; L20-E22 PolarHBondContact O-N 2.97Å; E22-L27 HydrophobicContact CG-CD1 4.4Å; E22-R59 IonicContact OE1-CZ 2.7Å; E22-R59 IonicContact OE1-NE 2.8Å; E22-R59 IonicContact OE1-NH2 3.53Å; E22-R59 PolarHBondContact OE1-NH2 2.59Å; E22-R59 IonicContact OE2-CZ 3.59Å; E22-R59 IonicContact OE2-NE 3.39Å; E22-R59 PolarHBondContact OE2-NE 2.96Å; E22-R59 IonicContact OE2-NH2 3.65Å; E22-R59 PolarHBondContact OE2-NH2 2.79Å; E22-F63 HydrophobicContact CB-CD2 4.12Å; E22-F63 HydrophobicContact CB-CE1 4.4Å; E22-F63 HydrophobicContact CB-CE2 3.43Å; E22-F63 VanDerWaalsContact CB-CE2 3.43Å; E22-F63 HydrophobicContact CB-CZ 3.6Å; E22-F63 HydrophobicContact CG-CE1 4.14Å; E22-F63 HydrophobicContact CG-CE2 3.75Å; E22-F63 HydrophobicContact CG-CZ 3.37Å
23N95.4Very high96.7Very high64 Ų6459.5 Ų59.534%0.34229%0.294SS..  trans-112.3115.5176-178.5-3.1000110.2N21 D25 T26 L27N21-N23 PolarHBondContact O-N 3.35Å; N23-D25 PolarHBondContact O-N 3.4Å; N23-D25 VanDerWaalsContact O-N 3.16Å; N23-D25 PolarHBondContact OD1-N 3.34Å; N23-T26 WeakPolarHBondContact CB-OG1 3.36Å; N23-T26 PolarHBondContact O-N 3.49Å; N23-T26 PolarHBondContact O-OG1 2.91Å; N23-L27 PolarHBondContact O-N 3.37Å
24P92.3Very high96.8Very high48 Ų4857.8 Ų57.831%0.31229%0.285SS..THydrogen-bonded Turntrans-55.4-32.1178.9-24.131.7000114.3
25D94.1Very high96.9Very high151 Ų15156.3 Ų56.381%0.80728%0.276SS*.THydrogen-bonded Turntrans-78.5-25.9-173.5-61.7-31.8000112.4N23N23-D25 PolarHBondContact O-N 3.4Å; N23-D25 VanDerWaalsContact O-N 3.16Å; N23-D25 PolarHBondContact OD1-N 3.34Å
26T95.6Very high96.9Very high53 Ų5358.8 Ų58.833%0.32529%0.291SS..THydrogen-bonded Turntrans-104.4-2.5179.961.50000113.4N23 H28 Q29 D30N23-T26 WeakPolarHBondContact CB-OG1 3.36Å; N23-T26 PolarHBondContact O-N 3.49Å; N23-T26 PolarHBondContact O-OG1 2.91Å; T26-H28 VanDerWaalsContact C-N 3.32Å; T26-H28 PolarHBondContact O-N 2.81Å; T26-H28 VanDerWaalsContact O-N 3.12Å; T26-Q29 WeakPolarHBondContact O-CA 3.45Å; T26-Q29 VanDerWaalsContact O-CB 3.31Å; T26-Q29 WeakPolarHBondContact O-CB 3.22Å; T26-Q29 PolarHBondContact O-N 3.04Å; T26-D30 PolarHBondContact O-N 2.96Å; T26-D30 PolarHBondContact OG1-OD2 3.43Å
27L94.6Very high96.9Very high0 Ų060.6 Ų60.60%030%0.3CS..Hα-helixtrans-53-43-168.6-167.962.3000114.5L4 Q5 E22 N23 D30 I31 L55 F63L4-L27 HydrophobicContact CB-CD2 3.67Å; L4-L27 HydrophobicContact CD1-CD2 3.92Å; L4-L27 HydrophobicContact CD1-CG 4.24Å; L4-L27 HydrophobicContact CG-CD2 4.45Å; Q5-L27 HydrophobicContact CG-CD2 4.09Å; E22-L27 HydrophobicContact CG-CD1 4.4Å; N23-L27 PolarHBondContact O-N 3.37Å; L27-D30 PolarHBondContact O-N 3.21Å; L27-I31 HydrophobicContact CG-CD1 4.28Å; L27-I31 WeakPolarHBondContact O-CD1 3.29Å; L27-I31 VanDerWaalsContact O-CG1 3.28Å; L27-I31 WeakPolarHBondContact O-CG1 3.34Å; L27-I31 PolarHBondContact O-N 2.53Å; L27-I31 VanDerWaalsContact O-N 3.09Å; L27-L55 HydrophobicContact CD1-CD1 3.67Å; L27-F63 HydrophobicContact CD1-CE1 3.65Å; L27-F63 HydrophobicContact CD1-CZ 3.87Å
28H95.8Very high96.9Very high96 Ų9655.9 Ų55.944%0.44429%0.285SS..Hα-helixtrans-67.6-37.1178.2-65.490.9000112T26 Q32T26-H28 VanDerWaalsContact C-N 3.32Å; T26-H28 PolarHBondContact O-N 2.81Å; T26-H28 VanDerWaalsContact O-N 3.12Å; H28-Q32 WeakPolarHBondContact O-CB 3.41Å; H28-Q32 PolarHBondContact O-N 3.48Å
29Q97.3Very high96.8Very high106 Ų10657.7 Ų57.750%0.49529%0.294SS..Hα-helixtrans-66.9-45.1175.8179.359.735.700110.5T26 I31 Q32 E33T26-Q29 WeakPolarHBondContact O-CA 3.45Å; T26-Q29 VanDerWaalsContact O-CB 3.31Å; T26-Q29 WeakPolarHBondContact O-CB 3.22Å; T26-Q29 PolarHBondContact O-N 3.04Å; Q29-I31 VanDerWaalsContact C-N 3.3Å; Q29-I31 PolarHBondContact O-N 3.08Å; Q29-Q32 PolarHBondContact O-N 3.2Å; Q29-Q32 VanDerWaalsContact O-N 3.09Å; Q29-E33 PolarHBondContact NE2-OE1 2.79Å; Q29-E33 WeakPolarHBondContact O-CG 3.44Å; Q29-E33 PolarHBondContact O-N 3.16Å
30D98.1Very high96.8Very high17 Ų1758 Ų589%0.09130%0.301CS..Hα-helixtrans-59.1-41.3178.3-64.5-44000112T26 L27 V34 L58 F63 H65T26-D30 PolarHBondContact O-N 2.96Å; T26-D30 PolarHBondContact OG1-OD2 3.43Å; L27-D30 PolarHBondContact O-N 3.21Å; D30-V34 PolarHBondContact O-N 3.26Å; D30-L58 HydrophobicContact CB-CD1 4.16Å; D30-F63 HydrophobicContact CB-CD1 4.14Å; D30-F63 HydrophobicContact CB-CE1 4.36Å; D30-H65 IonicContact OD1-CD2 3.29Å; D30-H65 IonicContact OD1-CE1 3.86Å; D30-H65 IonicContact OD1-NE2 2.62Å; D30-H65 PolarHBondContact OD1-NE2 3.43Å
31I98.3Very high96.8Very high0 Ų061 Ų610%031%0.312CS..Hα-helixtrans-66.2-43.2175.2-70.5167.8000110.9L4 L27 Q29 E33 V34 R35 D51 I54 L55 L58L4-I31 HydrophobicContact CD1-CD1 3.69Å; L27-I31 HydrophobicContact CG-CD1 4.28Å; L27-I31 WeakPolarHBondContact O-CD1 3.29Å; L27-I31 VanDerWaalsContact O-CG1 3.28Å; L27-I31 WeakPolarHBondContact O-CG1 3.34Å; L27-I31 PolarHBondContact O-N 2.53Å; L27-I31 VanDerWaalsContact O-N 3.09Å; Q29-I31 VanDerWaalsContact C-N 3.3Å; Q29-I31 PolarHBondContact O-N 3.08Å; I31-E33 VanDerWaalsContact C-N 3.35Å; I31-E33 PolarHBondContact O-N 3.44Å; I31-V34 PolarHBondContact O-N 3.4Å; I31-R35 PolarHBondContact O-N 3.3Å; I31-D51 HydrophobicContact CD1-CB 4.01Å; I31-D51 HydrophobicContact CG2-CB 4.35Å; I31-D51 WeakPolarHBondContact CG2-OD1 3.38Å; I31-I54 HydrophobicContact CB-CG2 4.42Å; I31-I54 HydrophobicContact CG1-CG2 4.38Å; I31-I54 HydrophobicContact CG2-CB 4.19Å; I31-I54 HydrophobicContact CG2-CD1 4.27Å; I31-I54 HydrophobicContact CG2-CG2 4.04Å; I31-L55 HydrophobicContact CD1-CB 4.48Å; I31-L58 HydrophobicContact CB-CD1 4.46Å; I31-L58 HydrophobicContact CG1-CD1 3.67Å
32Q98.1Very high96.7Very high69 Ų6962 Ų6232%0.32233%0.325SS..Hα-helixtrans-64.4-39.5-179.5-171.15934.600111.9H28 Q29 V34 R35 D36H28-Q32 WeakPolarHBondContact O-CB 3.41Å; H28-Q32 PolarHBondContact O-N 3.48Å; Q29-Q32 PolarHBondContact O-N 3.2Å; Q29-Q32 VanDerWaalsContact O-N 3.09Å; Q32-V34 VanDerWaalsContact C-N 3.33Å; Q32-V34 PolarHBondContact O-N 2.92Å; Q32-R35 CarbonylContact O-C 3.59Å; Q32-R35 WeakPolarHBondContact O-CB 3.36Å; Q32-R35 PolarHBondContact O-N 3.27Å; Q32-R35 VanDerWaalsContact O-N 3.09Å; Q32-D36 PolarHBondContact NE2-OD1 3.27Å; Q32-D36 VanDerWaalsContact O-CG 3.25Å; Q32-D36 PolarHBondContact O-N 3.26Å
33E98.3Very high96.7Very high73 Ų7366.5 Ų66.534%0.34135%0.349SS..Hα-helixtrans-61.5-39.9177.2-73.8178.8-158.100112.7Q29 I31 R35 M37 H65Q29-E33 PolarHBondContact NE2-OE1 2.79Å; Q29-E33 WeakPolarHBondContact O-CG 3.44Å; Q29-E33 PolarHBondContact O-N 3.16Å; I31-E33 VanDerWaalsContact C-N 3.35Å; I31-E33 PolarHBondContact O-N 3.44Å; E33-R35 VanDerWaalsContact C-N 3.35Å; E33-M37 WeakPolarHBondContact O-CE 3.45Å; E33-M37 PolarHBondContact O-N 2.88Å; E33-H65 IonicContact OE2-CD2 3.57Å; E33-H65 PolarHBondContact OE2-CD2 3.16Å; E33-H65 IonicContact OE2-CE1 2.88Å; E33-H65 IonicContact OE2-CG 2.78Å; E33-H65 IonicContact OE2-ND1 2.79Å; E33-H65 IonicContact OE2-NE2 3.73Å
34V98.5Very high96.8Very high0 Ų063.9 Ų63.90%034%0.335CS..Hα-helixtrans-66.6-40173.91760000111.2D30 I31 Q32 M37 I54 L58 H65 A68 F69 L72D30-V34 PolarHBondContact O-N 3.26Å; I31-V34 PolarHBondContact O-N 3.4Å; Q32-V34 VanDerWaalsContact C-N 3.33Å; Q32-V34 PolarHBondContact O-N 2.92Å; V34-M37 PolarHBondContact O-N 2.78Å; V34-I54 HydrophobicContact CB-CG2 3.88Å; V34-I54 HydrophobicContact CG1-CG2 3.83Å; V34-L58 HydrophobicContact CG2-CD2 3.68Å; V34-L58 HydrophobicContact CG2-CG 4.12Å; V34-H65 HydrophobicContact CG2-CB 4.17Å; V34-A68 HydrophobicContact CG2-CB 4.12Å; V34-F69 HydrophobicContact CG1-CB 4.18Å; V34-L72 HydrophobicContact CG1-CD2 4.06Å
35R97.8Very high96.9Very high55 Ų5563.4 Ų63.421%0.20834%0.338CS..Hα-helixtrans-64.5-39.9178.2-174.7178.6-66.1118.82.1112.1I31 Q32 E33 M37 V38 T49 D51 I54I31-R35 PolarHBondContact O-N 3.3Å; Q32-R35 CarbonylContact O-C 3.59Å; Q32-R35 WeakPolarHBondContact O-CB 3.36Å; Q32-R35 PolarHBondContact O-N 3.27Å; Q32-R35 VanDerWaalsContact O-N 3.09Å; E33-R35 VanDerWaalsContact C-N 3.35Å; R35-M37 PolarHBondContact O-N 3.42Å; R35-V38 WeakPolarHBondContact O-CB 3.48Å; R35-V38 WeakPolarHBondContact O-CG2 3.4Å; R35-V38 PolarHBondContact O-N 3.34Å; R35-T49 PolarHBondContact NE-O 3.39Å; R35-T49 PolarHBondContact NH2-O 2.83Å; R35-D51 IonicContact CZ-OD1 2.79Å; R35-D51 IonicContact NH1-OD1 3.45Å; R35-D51 IonicContact NH2-OD1 3.66Å; R35-D51 PolarHBondContact NH2-OD1 3.02Å; R35-I54 HydrophobicContact CB-CD1 3.96Å; R35-I54 HydrophobicContact CG-CD1 4.48Å
36D97.9Very high97.1Very high88 Ų8857.9 Ų57.947%0.47131%0.307SS..Hα-helixtrans-65.9-23.1179.7-69.9-17.2000112.4Q32 V38 I39Q32-D36 PolarHBondContact NE2-OD1 3.27Å; Q32-D36 VanDerWaalsContact O-CG 3.25Å; Q32-D36 PolarHBondContact O-N 3.26Å; D36-V38 VanDerWaalsContact C-N 3.33Å; D36-I39 VanDerWaalsContact O-CG1 3.23Å; D36-I39 WeakPolarHBondContact O-CG1 3.46Å
37M98.4Very high97Very high40 Ų4062.8 Ų62.820%0.19733%0.33CS..THydrogen-bonded Turntrans-77.3-16.4173.4-71.3-175.7-84.500113.4E33 V34 R35 I39 T40 H65 F66 F69E33-M37 WeakPolarHBondContact O-CE 3.45Å; E33-M37 PolarHBondContact O-N 2.88Å; V34-M37 PolarHBondContact O-N 2.78Å; R35-M37 PolarHBondContact O-N 3.42Å; M37-I39 PolarHBondContact O-N 2.93Å; M37-T40 WeakPolarHBondContact O-CB 3.24Å; M37-T40 PolarHBondContact O-N 3.19Å; M37-T40 PolarHBondContact O-OG1 2.84Å; M37-H65 HydrophobicContact CE-CB 4.09Å; M37-F66 HydrophobicContact SD-CD2 4.07Å; M37-F69 VanDerWaalsContact C-CE2 3.46Å; M37-F69 HydrophobicContact CB-CB 4.25Å; M37-F69 HydrophobicContact CB-CD1 3.75Å; M37-F69 HydrophobicContact CB-CD2 3.59Å; M37-F69 HydrophobicContact CB-CE1 3.95Å; M37-F69 HydrophobicContact CB-CE2 3.82Å; M37-F69 HydrophobicContact CB-CG 3.56Å; M37-F69 HydrophobicContact CB-CZ 3.98Å; M37-F69 HydrophobicContact CE-CB 3.72Å; M37-F69 HydrophobicContact CE-CG 4.31Å; M37-F69 HydrophobicContact CG-CD1 4.45Å; M37-F69 HydrophobicContact CG-CG 4.43Å; M37-F69 WeakPolarHBondContact O-CE2 3.22Å; M37-F69 WeakPolarHBondContact O-CZ 3.47Å; M37-F69 HydrophobicContact SD-CB 4.04Å; M37-F69 HydrophobicContact SD-CD1 4Å; M37-F69 HydrophobicContact SD-CG 4.1Å
38V97Very high97Very high26 Ų2667.2 Ų67.216%0.15835%0.347CS..G310 helixtrans-57.3-38.4-179.9172.80000112.1R35 D36 T40 R41 F46 T49 F69 L72R35-V38 WeakPolarHBondContact O-CB 3.48Å; R35-V38 WeakPolarHBondContact O-CG2 3.4Å; R35-V38 PolarHBondContact O-N 3.34Å; D36-V38 VanDerWaalsContact C-N 3.33Å; V38-T40 PolarHBondContact O-N 3.44Å; V38-T40 VanDerWaalsContact O-N 3.14Å; V38-R41 PolarHBondContact O-N 3.09Å; V38-F46 HydrophobicContact CG1-CB 4.09Å; V38-F46 HydrophobicContact CG1-CD1 4.27Å; V38-F46 HydrophobicContact CG1-CD2 3.48Å; V38-F46 VanDerWaalsContact CG1-CD2 3.48Å; V38-F46 HydrophobicContact CG1-CE2 3.85Å; V38-F46 HydrophobicContact CG1-CG 3.7Å; V38-F46 HydrophobicContact CG1-CZ 4.42Å; V38-F46 HydrophobicContact CG2-CD1 4.45Å; V38-T49 HydrophobicContact CG2-CG2 4.34Å; V38-F69 HydrophobicContact CG2-CE2 4.39Å; V38-L72 HydrophobicContact CG2-CD2 4.37Å
39I95.8Very high97.1Very high144 Ų14465 Ų6574%0.73834%0.34SS*.G310 helixtrans-65.6-16.518061.2161.5000113.4D36 M37 R41D36-I39 VanDerWaalsContact O-CG1 3.23Å; D36-I39 WeakPolarHBondContact O-CG1 3.46Å; M37-I39 PolarHBondContact O-N 2.93Å; I39-R41 VanDerWaalsContact C-N 3.27Å; I39-R41 PolarHBondContact O-N 2.97Å
40T97.1Very high97Very high90 Ų9063 Ų6355%0.55233%0.333SS*.G310 helixtrans-81.7-6.6-179.8800000113M37 V38 P42M37-T40 WeakPolarHBondContact O-CB 3.24Å; M37-T40 PolarHBondContact O-N 3.19Å; M37-T40 PolarHBondContact O-OG1 2.84Å; V38-T40 PolarHBondContact O-N 3.44Å; V38-T40 VanDerWaalsContact O-N 3.14Å; T40-P42 VanDerWaalsContact C-CD 3.43Å
41R97.2Very high97Very high62 Ų6264.4 Ų64.423%0.23434%0.341CS..  trans-124.665.4176.5-73.9-64.9-58-83.89111.2V38 I39 D43 I44 F46 F69 E77V38-R41 PolarHBondContact O-N 3.09Å; I39-R41 VanDerWaalsContact C-N 3.27Å; I39-R41 PolarHBondContact O-N 2.97Å; R41-D43 VanDerWaalsContact C-OD1 3.28Å; R41-D43 WeakPolarHBondContact CA-OD1 3.49Å; R41-D43 IonicContact CZ-OD1 3.02Å; R41-D43 IonicContact CZ-OD2 3.53Å; R41-D43 VanDerWaalsContact CZ-OD2 3.3Å; R41-D43 IonicContact NE-OD1 3.5Å; R41-D43 PolarHBondContact NE-OD1 2.92Å; R41-D43 IonicContact NE-OD2 3.25Å; R41-D43 PolarHBondContact NE-OD2 3.36Å; R41-D43 VanDerWaalsContact NE-OD2 3.11Å; R41-D43 IonicContact NH2-OD1 2.63Å; R41-D43 IonicContact NH2-OD2 3.76Å; R41-D43 PolarHBondContact NH2-OD2 3.36Å; R41-D43 PolarHBondContact O-N 3.06Å; R41-D43 VanDerWaalsContact O-N 3.12Å; R41-I44 HydrophobicContact CB-CD1 4.21Å; R41-I44 HydrophobicContact CB-CG1 4.44Å; R41-I44 HydrophobicContact CG-CD1 4.47Å; R41-I44 VanDerWaalsContact NH2-CD1 3.32Å; R41-I44 PolarHBondContact O-N 3.2Å; R41-I44 VanDerWaalsContact O-N 3.1Å; R41-F46 HydrophobicContact CB-CE2 3.95Å; R41-F46 HydrophobicContact CB-CZ 4.1Å; R41-F46 WeakPolarHBondContact O-CE2 3.39Å; R41-F69 HydrophobicContact CB-CZ 4.35Å; R41-F69 HydrophobicContact CG-CE1 4.37Å; R41-F69 HydrophobicContact CG-CZ 3.87Å; R41-E77 IonicContact CZ-OE2 2.71Å; R41-E77 IonicContact NH1-OE2 3.67Å; R41-E77 IonicContact NH2-OE1 3.92Å; R41-E77 PolarHBondContact NH2-OE1 3.38Å; R41-E77 IonicContact NH2-OE2 2.69Å; R41-E77 PolarHBondContact NH2-OE2 3.43Å
42P96.4Very high96.8Very high119 Ų11966.6 Ų66.677%0.77336%0.359SS*.THydrogen-bonded Turntrans-65.4-13.6-179.729.8-36.8000113.5T40 I44T40-P42 VanDerWaalsContact C-CD 3.43Å; P42-I44 VanDerWaalsContact C-N 3.29Å
43D96.4Very high96.8Very high95 Ų9563.4 Ų63.451%0.50834%0.344SS..THydrogen-bonded Turntrans-74-16.1174.760-57.6000113.6R41R41-D43 VanDerWaalsContact C-OD1 3.28Å; R41-D43 WeakPolarHBondContact CA-OD1 3.49Å; R41-D43 IonicContact CZ-OD1 3.02Å; R41-D43 IonicContact CZ-OD2 3.53Å; R41-D43 VanDerWaalsContact CZ-OD2 3.3Å; R41-D43 IonicContact NE-OD1 3.5Å; R41-D43 PolarHBondContact NE-OD1 2.92Å; R41-D43 IonicContact NE-OD2 3.25Å; R41-D43 PolarHBondContact NE-OD2 3.36Å; R41-D43 VanDerWaalsContact NE-OD2 3.11Å; R41-D43 IonicContact NH2-OD1 2.63Å; R41-D43 IonicContact NH2-OD2 3.76Å; R41-D43 PolarHBondContact NH2-OD2 3.36Å; R41-D43 PolarHBondContact O-N 3.06Å; R41-D43 VanDerWaalsContact O-N 3.12Å
44I97.4Very high96.8Very high10 Ų1060 Ų605%0.05133%0.328CS..SBendtrans-102.8124.9178.4-62.8177.2000110R41 P42 F46 A73 F76 E77 Q80R41-I44 HydrophobicContact CB-CD1 4.21Å; R41-I44 HydrophobicContact CB-CG1 4.44Å; R41-I44 HydrophobicContact CG-CD1 4.47Å; R41-I44 VanDerWaalsContact NH2-CD1 3.32Å; R41-I44 PolarHBondContact O-N 3.2Å; R41-I44 VanDerWaalsContact O-N 3.1Å; P42-I44 VanDerWaalsContact C-N 3.29Å; I44-F46 HydrophobicContact CB-CD2 4.04Å; I44-F46 HydrophobicContact CB-CE2 3.59Å; I44-F46 HydrophobicContact CB-CZ 3.97Å; I44-F46 HydrophobicContact CD1-CZ 4.17Å; I44-F46 HydrophobicContact CG2-CD1 4.27Å; I44-F46 HydrophobicContact CG2-CD2 3.86Å; I44-F46 HydrophobicContact CG2-CE1 4.09Å; I44-F46 HydrophobicContact CG2-CE2 3.71Å; I44-F46 HydrophobicContact CG2-CG 4.16Å; I44-F46 HydrophobicContact CG2-CZ 3.82Å; I44-F46 WeakPolarHBondContact O-CD2 3.48Å; I44-F46 PolarHBondContact O-N 3.39Å; I44-A73 HydrophobicContact CD1-CB 3.72Å; I44-F76 HydrophobicContact CG2-CB 3.56Å; I44-E77 HydrophobicContact CD1-CB 4.01Å; I44-E77 HydrophobicContact CG1-CB 4.35Å; I44-Q80 VanDerWaalsContact CG2-NE2 3.32Å
45G95.6Very high96.8Very high37 Ų3760.1 Ų60.138%0.38133%0.328SS..  trans-70.688.9163.700000113.2L47 Q80G45-L47 PolarHBondContact O-N 2.97Å; G45-Q80 PolarHBondContact O-NE2 3.33Å
46F96.9Very high96.8Very high35 Ų3558.1 Ų58.115%0.15432%0.321CS..  trans-74.8101.1171.5-64.3-91.2000110.5V38 R41 I44 T49 F69 L72 A73 F76V38-F46 HydrophobicContact CG1-CB 4.09Å; V38-F46 HydrophobicContact CG1-CD1 4.27Å; V38-F46 HydrophobicContact CG1-CD2 3.48Å; V38-F46 VanDerWaalsContact CG1-CD2 3.48Å; V38-F46 HydrophobicContact CG1-CE2 3.85Å; V38-F46 HydrophobicContact CG1-CG 3.7Å; V38-F46 HydrophobicContact CG1-CZ 4.42Å; V38-F46 HydrophobicContact CG2-CD1 4.45Å; R41-F46 HydrophobicContact CB-CE2 3.95Å; R41-F46 HydrophobicContact CB-CZ 4.1Å; R41-F46 WeakPolarHBondContact O-CE2 3.39Å; I44-F46 HydrophobicContact CB-CD2 4.04Å; I44-F46 HydrophobicContact CB-CE2 3.59Å; I44-F46 HydrophobicContact CB-CZ 3.97Å; I44-F46 HydrophobicContact CD1-CZ 4.17Å; I44-F46 HydrophobicContact CG2-CD1 4.27Å; I44-F46 HydrophobicContact CG2-CD2 3.86Å; I44-F46 HydrophobicContact CG2-CE1 4.09Å; I44-F46 HydrophobicContact CG2-CE2 3.71Å; I44-F46 HydrophobicContact CG2-CG 4.16Å; I44-F46 HydrophobicContact CG2-CZ 3.82Å; I44-F46 WeakPolarHBondContact O-CD2 3.48Å; I44-F46 PolarHBondContact O-N 3.39Å; F46-T49 HydrophobicContact CB-CG2 4.2Å; F46-F69 HydrophobicContact CE1-CE2 4.41Å; F46-F69 HydrophobicContact CZ-CE2 4.07Å; F46-L72 HydrophobicContact CD1-CG 4.28Å; F46-L72 HydrophobicContact CE1-CG 4.14Å; F46-A73 HydrophobicContact CE1-CB 4.32Å; F46-A73 HydrophobicContact CZ-CB 4.19Å; F46-F76 HydrophobicContact CB-CD2 4.35Å; F46-F76 HydrophobicContact CB-CE2 4.35Å; F46-F76 AromaticContact CD1-CD2 3.47Å; F46-F76 HydrophobicContact CD1-CD2 3.47Å; F46-F76 VanDerWaalsContact CD1-CD2 3.47Å; F46-F76 AromaticContact CD1-CE2 3.9Å; F46-F76 HydrophobicContact CD1-CE2 3.9Å; F46-F76 HydrophobicContact CD1-CG 4.36Å; F46-F76 HydrophobicContact CE1-CD2 4.15Å; F46-F76 HydrophobicContact CG-CD2 4.22Å
47L94.1Very high96.8Very high156 Ų15653.9 Ų53.982%0.81730%0.298SS*.  trans-83.3-14.3-174-58.7176.1000114G45 F76G45-L47 PolarHBondContact O-N 2.97Å; L47-F76 HydrophobicContact CB-CE1 3.86Å; L47-F76 HydrophobicContact CG-CE1 4.38Å
48R95.6Very high96.8Very high94 Ų9452 Ų5236%0.35529%0.289SS..  trans-152.5128.4-176.1-172.6176.4176-173.2-3.8111.1D50 F53 F76R48-D50 WeakPolarHBondContact CD-OD2 3.45Å; R48-D50 WeakPolarHBondContact CG-OD2 3Å; R48-D50 IonicContact CZ-OD1 2.67Å; R48-D50 IonicContact CZ-OD2 3.54Å; R48-D50 IonicContact NE-OD1 3.44Å; R48-D50 IonicContact NE-OD2 3.75Å; R48-D50 PolarHBondContact NE-OD2 3.49Å; R48-D50 IonicContact NH2-OD1 3.56Å; R48-D50 PolarHBondContact NH2-OD1 3.09Å; R48-D50 IonicContact NH2-OD2 3.57Å; R48-F53 HydrophobicContact CB-CD1 4.08Å; R48-F53 HydrophobicContact CB-CE1 4.15Å; R48-F53 HydrophobicContact CB-CG 4.38Å; R48-F53 HydrophobicContact CG-CB 4.01Å; R48-F53 HydrophobicContact CG-CD1 3.88Å; R48-F53 HydrophobicContact CG-CD2 4.15Å; R48-F53 HydrophobicContact CG-CE1 4.39Å; R48-F53 HydrophobicContact CG-CG 3.74Å; R48-F53 WeakPolarHBondContact O-CD1 3.46Å; R48-F53 VanDerWaalsContact O-CE1 3.3Å; R48-F53 WeakPolarHBondContact O-CE1 3.38Å; R48-F76 HydrophobicContact CB-CZ 4.14Å; R48-F76 WeakPolarHBondContact O-CZ 3.39Å
49T96.4Very high96.9Very high48 Ų4850.9 Ų50.929%0.29428%0.282SS..  trans-147.621-175.455.40000113.5R35 V38 F46 I54R35-T49 PolarHBondContact NE-O 3.39Å; R35-T49 PolarHBondContact NH2-O 2.83Å; V38-T49 HydrophobicContact CG2-CG2 4.34Å; F46-T49 HydrophobicContact CB-CG2 4.2Å; T49-I54 VanDerWaalsContact O-CD1 3.27Å; T49-I54 WeakPolarHBondContact O-CD1 3.33Å
50D96.4Very high97Very high65 Ų6544.3 Ų44.335%0.34825%0.249SC..  trans-63.2158.1171.957.8105.2000111.9R48 A52 F53 I54R48-D50 WeakPolarHBondContact CD-OD2 3.45Å; R48-D50 WeakPolarHBondContact CG-OD2 3Å; R48-D50 IonicContact CZ-OD1 2.67Å; R48-D50 IonicContact CZ-OD2 3.54Å; R48-D50 IonicContact NE-OD1 3.44Å; R48-D50 IonicContact NE-OD2 3.75Å; R48-D50 PolarHBondContact NE-OD2 3.49Å; R48-D50 IonicContact NH2-OD1 3.56Å; R48-D50 PolarHBondContact NH2-OD1 3.09Å; R48-D50 IonicContact NH2-OD2 3.57Å; D50-A52 VanDerWaalsContact C-N 3.35Å; D50-A52 PolarHBondContact O-N 2.71Å; D50-F53 WeakPolarHBondContact O-CB 3.41Å; D50-F53 PolarHBondContact O-N 3.02Å; D50-F53 PolarHBondContact OD1-N 3.4Å; D50-F53 WeakPolarHBondContact OD2-CB 3.23Å; D50-I54 PolarHBondContact O-N 3.04Å
51D96.6Very high97.1Very high47 Ų4742.7 Ų42.725%0.25123%0.233SC..Hα-helixtrans-54-48.4-174.5-71.12000112.5L4 I31 R35 F53 I54 L55L4-D51 HydrophobicContact CD1-CB 4.16Å; L4-D51 HydrophobicContact CD2-CB 3.66Å; I31-D51 HydrophobicContact CD1-CB 4.01Å; I31-D51 HydrophobicContact CG2-CB 4.35Å; I31-D51 WeakPolarHBondContact CG2-OD1 3.38Å; R35-D51 IonicContact CZ-OD1 2.79Å; R35-D51 IonicContact NH1-OD1 3.45Å; R35-D51 IonicContact NH2-OD1 3.66Å; R35-D51 PolarHBondContact NH2-OD1 3.02Å; D51-F53 VanDerWaalsContact C-N 3.29Å; D51-F53 PolarHBondContact O-N 2.73Å; D51-I54 PolarHBondContact O-N 3.35Å; D51-L55 VanDerWaalsContact O-CB 3.24Å; D51-L55 WeakPolarHBondContact O-CB 3.49Å; D51-L55 PolarHBondContact O-N 3.21Å
52A95.4Very high97.1Very high46 Ų4644.2 Ų44.238%0.3824%0.242SC..Hα-helixtrans-62.8-36.3179.800000112.1D50D50-A52 VanDerWaalsContact C-N 3.35Å; D50-A52 PolarHBondContact O-N 2.71Å
53F97.5Very high97.2Very high2 Ų239 Ų391%0.00921%0.207CC..Hα-helixtrans-70-49.1176.8-172.3-106.9000112.3R48 D50 D51 L55 R56 F57 L72 Y75 F76R48-F53 HydrophobicContact CB-CD1 4.08Å; R48-F53 HydrophobicContact CB-CE1 4.15Å; R48-F53 HydrophobicContact CB-CG 4.38Å; R48-F53 HydrophobicContact CG-CB 4.01Å; R48-F53 HydrophobicContact CG-CD1 3.88Å; R48-F53 HydrophobicContact CG-CD2 4.15Å; R48-F53 HydrophobicContact CG-CE1 4.39Å; R48-F53 HydrophobicContact CG-CG 3.74Å; R48-F53 WeakPolarHBondContact O-CD1 3.46Å; R48-F53 VanDerWaalsContact O-CE1 3.3Å; R48-F53 WeakPolarHBondContact O-CE1 3.38Å; D50-F53 WeakPolarHBondContact O-CB 3.41Å; D50-F53 PolarHBondContact O-N 3.02Å; D50-F53 PolarHBondContact OD1-N 3.4Å; D50-F53 WeakPolarHBondContact OD2-CB 3.23Å; D51-F53 VanDerWaalsContact C-N 3.29Å; D51-F53 PolarHBondContact O-N 2.73Å; F53-L55 VanDerWaalsContact C-N 3.26Å; F53-L55 PolarHBondContact O-N 3.15Å; F53-R56 WeakPolarHBondContact O-CB 3.34Å; F53-R56 PolarHBondContact O-N 2.89Å; F53-F57 AromaticContact CD1-CE2 3.96Å; F53-F57 HydrophobicContact CD1-CE2 3.96Å; F53-F57 AromaticContact CE1-CE2 3.55Å; F53-F57 HydrophobicContact CE1-CE2 3.55Å; F53-F57 HydrophobicContact CE1-CZ 4.04Å; F53-F57 HydrophobicContact CE2-CE2 4.14Å; F53-F57 HydrophobicContact CG-CE2 4.42Å; F53-F57 AromaticContact CZ-CE2 3.64Å; F53-F57 HydrophobicContact CZ-CE2 3.64Å; F53-F57 AromaticContact CZ-CZ 3.86Å; F53-F57 HydrophobicContact CZ-CZ 3.86Å; F53-F57 VanDerWaalsContact O-CD2 3.23Å; F53-F57 WeakPolarHBondContact O-CD2 3.36Å; F53-L72 HydrophobicContact CD1-CD1 4.28Å; F53-L72 HydrophobicContact CE1-CD1 3.69Å; F53-Y75 HydrophobicContact CE2-CE1 4.48Å; F53-Y75 HydrophobicContact CZ-CD1 4.21Å; F53-Y75 AromaticContact CZ-CE1 3.65Å; F53-Y75 HydrophobicContact CZ-CE1 3.65Å; F53-Y75 HydrophobicContact CZ-CE2 4.49Å; F53-Y75 AromaticContact CZ-CZ 3.8Å; F53-F76 AromaticContact CE1-CE2 3.83Å; F53-F76 HydrophobicContact CE1-CE2 3.83Å; F53-F76 AromaticContact CE1-CZ 3.71Å; F53-F76 HydrophobicContact CE1-CZ 3.71Å; F53-F76 HydrophobicContact CZ-CE2 4.4Å; F53-F76 HydrophobicContact CZ-CZ 4.02Å
54I98.3Very high97.3Very high0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-61-37.8177.9-70-179.3000111.1I31 V34 R35 T49 D50 D51 R56 F57 L58 L72I31-I54 HydrophobicContact CB-CG2 4.42Å; I31-I54 HydrophobicContact CG1-CG2 4.38Å; I31-I54 HydrophobicContact CG2-CB 4.19Å; I31-I54 HydrophobicContact CG2-CD1 4.27Å; I31-I54 HydrophobicContact CG2-CG2 4.04Å; V34-I54 HydrophobicContact CB-CG2 3.88Å; V34-I54 HydrophobicContact CG1-CG2 3.83Å; R35-I54 HydrophobicContact CB-CD1 3.96Å; R35-I54 HydrophobicContact CG-CD1 4.48Å; T49-I54 VanDerWaalsContact O-CD1 3.27Å; T49-I54 WeakPolarHBondContact O-CD1 3.33Å; D50-I54 PolarHBondContact O-N 3.04Å; D51-I54 PolarHBondContact O-N 3.35Å; I54-R56 PolarHBondContact O-N 2.9Å; I54-F57 WeakPolarHBondContact O-CB 3.27Å; I54-F57 PolarHBondContact O-N 3.25Å; I54-L58 HydrophobicContact CG2-CD1 4.17Å; I54-L58 HydrophobicContact CG2-CG 4.48Å; I54-L58 PolarHBondContact O-N 2.99Å; I54-L58 VanDerWaalsContact O-N 3.16Å; I54-L72 HydrophobicContact CG1-CD2 4.47Å
55L97.9Very high97.3Very high3 Ų341.7 Ų41.72%0.01622%0.216CC..Hα-helixtrans-57.8-32.1180-175.454.4000113L4 L27 I31 D51 F53 F57 L58 R59 F63L4-L55 HydrophobicContact CB-CD2 4.13Å; L27-L55 HydrophobicContact CD1-CD1 3.67Å; I31-L55 HydrophobicContact CD1-CB 4.48Å; D51-L55 VanDerWaalsContact O-CB 3.24Å; D51-L55 WeakPolarHBondContact O-CB 3.49Å; D51-L55 PolarHBondContact O-N 3.21Å; F53-L55 VanDerWaalsContact C-N 3.26Å; F53-L55 PolarHBondContact O-N 3.15Å; L55-F57 VanDerWaalsContact C-N 3.26Å; L55-F57 PolarHBondContact O-N 2.82Å; L55-L58 HydrophobicContact CD1-CB 4.42Å; L55-L58 PolarHBondContact O-N 3.03Å; L55-R59 HydrophobicContact CD1-CG 4.2Å; L55-R59 HydrophobicContact CG-CG 4.46Å; L55-R59 WeakPolarHBondContact O-CB 3.25Å; L55-R59 WeakPolarHBondContact O-CG 3.3Å; L55-R59 PolarHBondContact O-N 3.23Å; L55-F63 HydrophobicContact CD1-CE1 4.37Å; L55-F63 HydrophobicContact CD1-CZ 3.78Å
56R98.2Very high97.5Very high13 Ų1346.2 Ų46.25%0.04923%0.225CC..Hα-helixtrans-55.8-43.6173.3-59169.5-174.5-167.3-4.6111.2F53 I54 A60 E145 Q154 P192F53-R56 WeakPolarHBondContact O-CB 3.34Å; F53-R56 PolarHBondContact O-N 2.89Å; I54-R56 PolarHBondContact O-N 2.9Å; R56-A60 VanDerWaalsContact O-CB 3.26Å; R56-A60 WeakPolarHBondContact O-CB 3.32Å; R56-A60 PolarHBondContact O-N 3.48Å; R56-E145 IonicContact NH1-OE2 3.97Å; R56-Q154 HydrophobicContact CG-CG 4.36Å; R56-P192 HydrophobicContact CB-CB 4.13Å; R56-P192 HydrophobicContact CB-CG 4.13Å
57F98.8Very high97.5Very high0 Ų047.4 Ų47.40%023%0.231CC..Hα-helixtrans-73.6-40.6-177.8-62.6-93.4000111.9F53 I54 L55 A60 R61 A68 L71 L72 Y75 P192F53-F57 AromaticContact CD1-CE2 3.96Å; F53-F57 HydrophobicContact CD1-CE2 3.96Å; F53-F57 AromaticContact CE1-CE2 3.55Å; F53-F57 HydrophobicContact CE1-CE2 3.55Å; F53-F57 HydrophobicContact CE1-CZ 4.04Å; F53-F57 HydrophobicContact CE2-CE2 4.14Å; F53-F57 HydrophobicContact CG-CE2 4.42Å; F53-F57 AromaticContact CZ-CE2 3.64Å; F53-F57 HydrophobicContact CZ-CE2 3.64Å; F53-F57 AromaticContact CZ-CZ 3.86Å; F53-F57 HydrophobicContact CZ-CZ 3.86Å; F53-F57 VanDerWaalsContact O-CD2 3.23Å; F53-F57 WeakPolarHBondContact O-CD2 3.36Å; I54-F57 WeakPolarHBondContact O-CB 3.27Å; I54-F57 PolarHBondContact O-N 3.25Å; L55-F57 VanDerWaalsContact C-N 3.26Å; L55-F57 PolarHBondContact O-N 2.82Å; F57-A60 PolarHBondContact O-N 3.3Å; F57-R61 WeakPolarHBondContact O-CB 3.38Å; F57-R61 PolarHBondContact O-N 3.02Å; F57-A68 HydrophobicContact CB-CB 4.3Å; F57-L71 HydrophobicContact CD1-CB 4.02Å; F57-L71 HydrophobicContact CD1-CD2 3.88Å; F57-L71 HydrophobicContact CD1-CG 3.64Å; F57-L71 HydrophobicContact CE1-CG 4.04Å; F57-L72 HydrophobicContact CD1-CB 3.84Å; F57-L72 HydrophobicContact CD1-CD1 4.3Å; F57-L72 HydrophobicContact CD2-CD1 3.84Å; F57-L72 VanDerWaalsContact CE1-CA 3.49Å; F57-L72 HydrophobicContact CE1-CB 4.15Å; F57-L72 HydrophobicContact CE1-CD1 4.05Å; F57-L72 HydrophobicContact CE2-CD1 3.55Å; F57-L72 HydrophobicContact CG-CB 4.07Å; F57-L72 HydrophobicContact CG-CD1 4.23Å; F57-L72 HydrophobicContact CZ-CD1 3.66Å; F57-Y75 HydrophobicContact CE1-CD2 4.14Å; F57-Y75 HydrophobicContact CE1-CG 4.03Å; F57-Y75 HydrophobicContact CZ-CD1 4.25Å; F57-Y75 AromaticContact CZ-CD2 3.84Å; F57-Y75 HydrophobicContact CZ-CD2 3.84Å; F57-Y75 HydrophobicContact CZ-CE2 4.36Å; F57-Y75 AromaticContact CZ-CG 3.79Å; F57-Y75 HydrophobicContact CZ-CG 3.79Å; F57-P192 HydrophobicContact CD1-CB 4Å; F57-P192 HydrophobicContact CD1-CG 4.46Å; F57-P192 HydrophobicContact CE1-CB 4.02Å; F57-P192 HydrophobicContact CE1-CG 4.01Å; F57-P192 HydrophobicContact CE2-CG 4.26Å; F57-P192 HydrophobicContact CG-CB 4.27Å; F57-P192 HydrophobicContact CZ-CB 4.33Å; F57-P192 HydrophobicContact CZ-CG 3.9Å
58L98.7Very high97.8Very high0 Ų040 Ų400%019%0.192CC..Hα-helixtrans-58.4-50.9173-77.9168.1000111D30 I31 V34 I54 L55 A60 R61 K62 F63 A68D30-L58 HydrophobicContact CB-CD1 4.16Å; I31-L58 HydrophobicContact CB-CD1 4.46Å; I31-L58 HydrophobicContact CG1-CD1 3.67Å; V34-L58 HydrophobicContact CG2-CD2 3.68Å; V34-L58 HydrophobicContact CG2-CG 4.12Å; I54-L58 HydrophobicContact CG2-CD1 4.17Å; I54-L58 HydrophobicContact CG2-CG 4.48Å; I54-L58 PolarHBondContact O-N 2.99Å; I54-L58 VanDerWaalsContact O-N 3.16Å; L55-L58 HydrophobicContact CD1-CB 4.42Å; L55-L58 PolarHBondContact O-N 3.03Å; L58-A60 PolarHBondContact O-N 2.7Å; L58-R61 CarbonylContact O-C 3.32Å; L58-R61 PolarHBondContact O-N 3.5Å; L58-R61 VanDerWaalsContact O-N 3.1Å; L58-K62 PolarHBondContact O-N 2.86Å; L58-F63 HydrophobicContact CB-CD1 4.3Å; L58-F63 HydrophobicContact CB-CD2 4.46Å; L58-F63 HydrophobicContact CB-CE1 4.21Å; L58-F63 HydrophobicContact CB-CE2 4.37Å; L58-F63 HydrophobicContact CB-CG 4.41Å; L58-F63 HydrophobicContact CB-CZ 4.23Å; L58-F63 HydrophobicContact CD1-CE1 4.34Å; L58-F63 HydrophobicContact CD2-CD1 4.33Å; L58-F63 PolarHBondContact O-N 2.9Å; L58-A68 HydrophobicContact CD2-CB 3.97Å; L58-A68 HydrophobicContact CG-CB 4.32Å
59R98.3Very high97.9Very high2 Ų236.1 Ų36.11%0.00818%0.178CC..Hα-helixtrans-59.6-44.8176.3-74.2176.2172.7157.52.3112L20 E22 L55 R61 K62 F63L20-R59 HydrophobicContact CD1-CB 4.1Å; L20-R59 HydrophobicContact CD1-CG 4.23Å; E22-R59 IonicContact OE1-CZ 2.7Å; E22-R59 IonicContact OE1-NE 2.8Å; E22-R59 IonicContact OE1-NH2 3.53Å; E22-R59 PolarHBondContact OE1-NH2 2.59Å; E22-R59 IonicContact OE2-CZ 3.59Å; E22-R59 IonicContact OE2-NE 3.39Å; E22-R59 PolarHBondContact OE2-NE 2.96Å; E22-R59 IonicContact OE2-NH2 3.65Å; E22-R59 PolarHBondContact OE2-NH2 2.79Å; L55-R59 HydrophobicContact CD1-CG 4.2Å; L55-R59 HydrophobicContact CG-CG 4.46Å; L55-R59 WeakPolarHBondContact O-CB 3.25Å; L55-R59 WeakPolarHBondContact O-CG 3.3Å; L55-R59 PolarHBondContact O-N 3.23Å; R59-R61 PolarHBondContact O-N 3.5Å; R59-R61 VanDerWaalsContact O-N 3.16Å; R59-K62 PolarHBondContact O-N 2.79Å; R59-F63 HydrophobicContact CG-CE2 3.98Å; R59-F63 HydrophobicContact CG-CZ 4.44Å
60A98.1Very high98Very high7 Ų740 Ų406%0.05819%0.188CC..Hα-helixtrans-62.7-21.9177.800000113.9R56 F57 L58 L71 P192R56-A60 VanDerWaalsContact O-CB 3.26Å; R56-A60 WeakPolarHBondContact O-CB 3.32Å; R56-A60 PolarHBondContact O-N 3.48Å; F57-A60 PolarHBondContact O-N 3.3Å; L58-A60 PolarHBondContact O-N 2.7Å; A60-L71 HydrophobicContact CB-CD2 3.89Å; A60-P192 HydrophobicContact CB-CB 4.02Å; A60-P192 WeakPolarHBondContact CB-O 3.32Å
61R98.2Very high98.1Very high55 Ų5537.2 Ų37.221%0.20817%0.172CC..THydrogen-bonded Turntrans-11920.6-179-63.7-65.7178.9-922.5113.7F57 L58 R59 F63 Q64 E67 A68 L71F57-R61 WeakPolarHBondContact O-CB 3.38Å; F57-R61 PolarHBondContact O-N 3.02Å; L58-R61 CarbonylContact O-C 3.32Å; L58-R61 PolarHBondContact O-N 3.5Å; L58-R61 VanDerWaalsContact O-N 3.1Å; R59-R61 PolarHBondContact O-N 3.5Å; R59-R61 VanDerWaalsContact O-N 3.16Å; R61-F63 PolarHBondContact O-N 3.3Å; R61-Q64 WeakPolarHBondContact O-CB 3.13Å; R61-Q64 WeakPolarHBondContact O-CG 3.32Å; R61-Q64 PolarHBondContact O-N 2.97Å; R61-Q64 VanDerWaalsContact O-N 3.08Å; R61-E67 HydrophobicContact CB-CB 4.08Å; R61-E67 HydrophobicContact CG-CB 4.22Å; R61-A68 HydrophobicContact CB-CB 4.16Å; R61-L71 HydrophobicContact CG-CB 4.37Å; R61-L71 HydrophobicContact CG-CD2 4.08Å; R61-L71 VanDerWaalsContact NH2-CD1 3.3Å
62K97.9Very high98.2Very high95 Ų9535 Ų3541%0.41316%0.16SC..THydrogen-bonded Turntrans52.841.6174.4-53.3-175.5169.1-1560113E19 L20 N21 L58 R59 Q64E19-K62 WeakPolarHBondContact O-CD 3.34Å; E19-K62 WeakPolarHBondContact O-CE 3.39Å; E19-K62 PolarHBondContact O-NZ 2.9Å; L20-K62 HydrophobicContact CD2-CG 4.07Å; L20-K62 CarbonylContact O-C 2.9Å; L20-K62 WeakPolarHBondContact O-CA 3.25Å; N21-K62 PolarHBondContact ND2-O 3.02Å; L58-K62 PolarHBondContact O-N 2.86Å; R59-K62 PolarHBondContact O-N 2.79Å; K62-Q64 PolarHBondContact O-N 3.44Å; K62-Q64 VanDerWaalsContact O-N 3.09Å
63F98.3Very high98.4Very high10 Ų1032.9 Ų32.94%0.04414%0.143CC..THydrogen-bonded Turntrans57.825.4179.3-72.8-109000113.6L20 E22 L27 D30 L55 L58 R59 R61 H65L20-F63 HydrophobicContact CB-CD2 4.33Å; L20-F63 VanDerWaalsContact O-CD2 3.23Å; L20-F63 WeakPolarHBondContact O-CD2 3.18Å; E22-F63 HydrophobicContact CB-CD2 4.12Å; E22-F63 HydrophobicContact CB-CE1 4.4Å; E22-F63 HydrophobicContact CB-CE2 3.43Å; E22-F63 VanDerWaalsContact CB-CE2 3.43Å; E22-F63 HydrophobicContact CB-CZ 3.6Å; E22-F63 HydrophobicContact CG-CE1 4.14Å; E22-F63 HydrophobicContact CG-CE2 3.75Å; E22-F63 HydrophobicContact CG-CZ 3.37Å; L27-F63 HydrophobicContact CD1-CE1 3.65Å; L27-F63 HydrophobicContact CD1-CZ 3.87Å; D30-F63 HydrophobicContact CB-CD1 4.14Å; D30-F63 HydrophobicContact CB-CE1 4.36Å; L55-F63 HydrophobicContact CD1-CE1 4.37Å; L55-F63 HydrophobicContact CD1-CZ 3.78Å; L58-F63 HydrophobicContact CB-CD1 4.3Å; L58-F63 HydrophobicContact CB-CD2 4.46Å; L58-F63 HydrophobicContact CB-CE1 4.21Å; L58-F63 HydrophobicContact CB-CE2 4.37Å; L58-F63 HydrophobicContact CB-CG 4.41Å; L58-F63 HydrophobicContact CB-CZ 4.23Å; L58-F63 HydrophobicContact CD1-CE1 4.34Å; L58-F63 HydrophobicContact CD2-CD1 4.33Å; L58-F63 PolarHBondContact O-N 2.9Å; R59-F63 HydrophobicContact CG-CE2 3.98Å; R59-F63 HydrophobicContact CG-CZ 4.44Å; R61-F63 PolarHBondContact O-N 3.3Å; F63-H65 PolarHBondContact O-CE1 2.93Å; F63-H65 PolarHBondContact O-N 3.36Å; F63-H65 PolarHBondContact O-ND1 3.29Å
64Q98.5Very high98.4Very high114 Ų11435.2 Ų35.253%0.53315%0.154SC..  trans-81.797.8165.5-63.4-64.2-57.500108.1R61 K62 F66 E67 A68R61-Q64 WeakPolarHBondContact O-CB 3.13Å; R61-Q64 WeakPolarHBondContact O-CG 3.32Å; R61-Q64 PolarHBondContact O-N 2.97Å; R61-Q64 VanDerWaalsContact O-N 3.08Å; K62-Q64 PolarHBondContact O-N 3.44Å; K62-Q64 VanDerWaalsContact O-N 3.09Å; Q64-F66 PolarHBondContact O-N 3.09Å; Q64-E67 HydrophobicContact CB-CB 3.9Å; Q64-E67 HydrophobicContact CB-CG 4.12Å; Q64-E67 WeakPolarHBondContact O-CB 3.23Å; Q64-E67 PolarHBondContact O-N 2.88Å; Q64-E67 VanDerWaalsContact O-N 3.07Å; Q64-A68 PolarHBondContact O-N 3.32Å
65H98.5Very high98.4Very high47 Ų4736.1 Ų36.122%0.21816%0.158CC..Hα-helixtrans-55.8-47.6-167.5-49.577.3000113.1D30 E33 V34 M37 F63 E67 A68 F69D30-H65 IonicContact OD1-CD2 3.29Å; D30-H65 IonicContact OD1-CE1 3.86Å; D30-H65 IonicContact OD1-NE2 2.62Å; D30-H65 PolarHBondContact OD1-NE2 3.43Å; E33-H65 IonicContact OE2-CD2 3.57Å; E33-H65 PolarHBondContact OE2-CD2 3.16Å; E33-H65 IonicContact OE2-CE1 2.88Å; E33-H65 IonicContact OE2-CG 2.78Å; E33-H65 IonicContact OE2-ND1 2.79Å; E33-H65 IonicContact OE2-NE2 3.73Å; V34-H65 HydrophobicContact CG2-CB 4.17Å; M37-H65 HydrophobicContact CE-CB 4.09Å; F63-H65 PolarHBondContact O-CE1 2.93Å; F63-H65 PolarHBondContact O-N 3.36Å; F63-H65 PolarHBondContact O-ND1 3.29Å; H65-E67 VanDerWaalsContact C-N 3.32Å; H65-E67 PolarHBondContact O-N 3.26Å; H65-A68 WeakPolarHBondContact O-CB 3.16Å; H65-A68 PolarHBondContact O-N 3.31Å; H65-F69 WeakPolarHBondContact O-CB 3.45Å; H65-F69 PolarHBondContact O-N 2.67Å
66F98.4Very high98.5Very high132 Ų13236.4 Ų36.458%0.57916%0.159SC*.Hα-helixtrans-63-39.2179-176.6-102.3000112.3M37 Q64 F69 R70M37-F66 HydrophobicContact SD-CD2 4.07Å; Q64-F66 PolarHBondContact O-N 3.09Å; F66-F69 PolarHBondContact O-N 2.91Å; F66-R70 WeakPolarHBondContact O-CB 3.42Å; F66-R70 PolarHBondContact O-N 3.08Å
67E98.5Very high98.5Very high59 Ų5937.8 Ų37.828%0.27617%0.166SC..Hα-helixtrans-70.7-36.7177.7-69.8-62.9141.100112.2R61 Q64 H65 R70 L71R61-E67 HydrophobicContact CB-CB 4.08Å; R61-E67 HydrophobicContact CG-CB 4.22Å; Q64-E67 HydrophobicContact CB-CB 3.9Å; Q64-E67 HydrophobicContact CB-CG 4.12Å; Q64-E67 WeakPolarHBondContact O-CB 3.23Å; Q64-E67 PolarHBondContact O-N 2.88Å; Q64-E67 VanDerWaalsContact O-N 3.07Å; H65-E67 VanDerWaalsContact C-N 3.32Å; H65-E67 PolarHBondContact O-N 3.26Å; E67-R70 PolarHBondContact O-N 2.95Å; E67-R70 IonicContact OE1-CZ 2.88Å; E67-R70 IonicContact OE1-NE 3.02Å; E67-R70 IonicContact OE1-NH2 3.33Å; E67-R70 PolarHBondContact OE1-NH2 3.41Å; E67-R70 IonicContact OE2-CZ 3.86Å; E67-R70 VanDerWaalsContact OE2-CZ 3.25Å; E67-R70 IonicContact OE2-NE 3.8Å; E67-R70 PolarHBondContact OE2-NE 3.33Å; E67-R70 IonicContact OE2-NH2 3.57Å; E67-R70 PolarHBondContact OE2-NH2 2.94Å; E67-L71 PolarHBondContact O-N 3.1Å
68A98.7Very high98.4Very high0 Ų037.9 Ų37.90%017%0.166CC..Hα-helixtrans-63.3-46.7172.700000110.9V34 F57 L58 R61 Q64 H65 R70 L71 L72V34-A68 HydrophobicContact CG2-CB 4.12Å; F57-A68 HydrophobicContact CB-CB 4.3Å; L58-A68 HydrophobicContact CD2-CB 3.97Å; L58-A68 HydrophobicContact CG-CB 4.32Å; R61-A68 HydrophobicContact CB-CB 4.16Å; Q64-A68 PolarHBondContact O-N 3.32Å; H65-A68 WeakPolarHBondContact O-CB 3.16Å; H65-A68 PolarHBondContact O-N 3.31Å; A68-R70 PolarHBondContact O-N 3.21Å; A68-L71 PolarHBondContact O-N 2.77Å; A68-L72 WeakPolarHBondContact O-CB 3.24Å; A68-L72 PolarHBondContact O-N 3.23Å
69F98.8Very high98.4Very high13 Ų1339.5 Ų39.56%0.05717%0.172CC..Hα-helixtrans-60-44.9173.9171.7-111.6000112.1V34 M37 V38 R41 F46 H65 F66 L71 L72 A73V34-F69 HydrophobicContact CG1-CB 4.18Å; M37-F69 VanDerWaalsContact C-CE2 3.46Å; M37-F69 HydrophobicContact CB-CB 4.25Å; M37-F69 HydrophobicContact CB-CD1 3.75Å; M37-F69 HydrophobicContact CB-CD2 3.59Å; M37-F69 HydrophobicContact CB-CE1 3.95Å; M37-F69 HydrophobicContact CB-CE2 3.82Å; M37-F69 HydrophobicContact CB-CG 3.56Å; M37-F69 HydrophobicContact CB-CZ 3.98Å; M37-F69 HydrophobicContact CE-CB 3.72Å; M37-F69 HydrophobicContact CE-CG 4.31Å; M37-F69 HydrophobicContact CG-CD1 4.45Å; M37-F69 HydrophobicContact CG-CG 4.43Å; M37-F69 WeakPolarHBondContact O-CE2 3.22Å; M37-F69 WeakPolarHBondContact O-CZ 3.47Å; M37-F69 HydrophobicContact SD-CB 4.04Å; M37-F69 HydrophobicContact SD-CD1 4Å; M37-F69 HydrophobicContact SD-CG 4.1Å; V38-F69 HydrophobicContact CG2-CE2 4.39Å; R41-F69 HydrophobicContact CB-CZ 4.35Å; R41-F69 HydrophobicContact CG-CE1 4.37Å; R41-F69 HydrophobicContact CG-CZ 3.87Å; F46-F69 HydrophobicContact CE1-CE2 4.41Å; F46-F69 HydrophobicContact CZ-CE2 4.07Å; H65-F69 WeakPolarHBondContact O-CB 3.45Å; H65-F69 PolarHBondContact O-N 2.67Å; F66-F69 PolarHBondContact O-N 2.91Å; F69-L71 VanDerWaalsContact C-N 3.29Å; F69-L71 PolarHBondContact O-N 3.5Å; F69-L72 WeakPolarHBondContact O-CB 3.49Å; F69-L72 PolarHBondContact O-N 3.34Å; F69-L72 VanDerWaalsContact O-N 3.11Å; F69-A73 WeakPolarHBondContact O-CB 3.29Å; F69-A73 PolarHBondContact O-N 3.44Å
70R98.5Very high98.3Very high131 Ų13142.9 Ų42.949%0.49419%0.188SC..Hα-helixtrans-58.8-41.4176.9-173.1174.468.8158.9-0.3112F66 E67 A68 Q74F66-R70 WeakPolarHBondContact O-CB 3.42Å; F66-R70 PolarHBondContact O-N 3.08Å; E67-R70 PolarHBondContact O-N 2.95Å; E67-R70 IonicContact OE1-CZ 2.88Å; E67-R70 IonicContact OE1-NE 3.02Å; E67-R70 IonicContact OE1-NH2 3.33Å; E67-R70 PolarHBondContact OE1-NH2 3.41Å; E67-R70 IonicContact OE2-CZ 3.86Å; E67-R70 VanDerWaalsContact OE2-CZ 3.25Å; E67-R70 IonicContact OE2-NE 3.8Å; E67-R70 PolarHBondContact OE2-NE 3.33Å; E67-R70 IonicContact OE2-NH2 3.57Å; E67-R70 PolarHBondContact OE2-NH2 2.94Å; A68-R70 PolarHBondContact O-N 3.21Å; R70-Q74 WeakPolarHBondContact O-CB 3.26Å; R70-Q74 PolarHBondContact O-N 3.47Å
71L98.8Very high98.2Very high5 Ų548.1 Ų48.13%0.02621%0.211CC..Hα-helixtrans-66.7-40.4174.7-178.259.5000112.1F57 A60 R61 E67 A68 F69 Q74 Y75 D189 P192F57-L71 HydrophobicContact CD1-CB 4.02Å; F57-L71 HydrophobicContact CD1-CD2 3.88Å; F57-L71 HydrophobicContact CD1-CG 3.64Å; F57-L71 HydrophobicContact CE1-CG 4.04Å; A60-L71 HydrophobicContact CB-CD2 3.89Å; R61-L71 HydrophobicContact CG-CB 4.37Å; R61-L71 HydrophobicContact CG-CD2 4.08Å; R61-L71 VanDerWaalsContact NH2-CD1 3.3Å; E67-L71 PolarHBondContact O-N 3.1Å; A68-L71 PolarHBondContact O-N 2.77Å; F69-L71 VanDerWaalsContact C-N 3.29Å; F69-L71 PolarHBondContact O-N 3.5Å; L71-Q74 PolarHBondContact O-N 3.18Å; L71-Y75 WeakPolarHBondContact O-CB 3.39Å; L71-Y75 PolarHBondContact O-N 3.22Å; L71-D189 WeakPolarHBondContact CD1-O 3.41Å; L71-P192 HydrophobicContact CD2-CB 4.13Å
72L98.8Very high98.1Very high0 Ų047.5 Ų47.50%021%0.212CC..Hα-helixtrans-61.7-45.6176.1178.264.9000111.6V34 V38 F46 F53 I54 F57 A68 F69 Y75 F76V34-L72 HydrophobicContact CG1-CD2 4.06Å; V38-L72 HydrophobicContact CG2-CD2 4.37Å; F46-L72 HydrophobicContact CD1-CG 4.28Å; F46-L72 HydrophobicContact CE1-CG 4.14Å; F53-L72 HydrophobicContact CD1-CD1 4.28Å; F53-L72 HydrophobicContact CE1-CD1 3.69Å; I54-L72 HydrophobicContact CG1-CD2 4.47Å; F57-L72 HydrophobicContact CD1-CB 3.84Å; F57-L72 HydrophobicContact CD1-CD1 4.3Å; F57-L72 HydrophobicContact CD2-CD1 3.84Å; F57-L72 VanDerWaalsContact CE1-CA 3.49Å; F57-L72 HydrophobicContact CE1-CB 4.15Å; F57-L72 HydrophobicContact CE1-CD1 4.05Å; F57-L72 HydrophobicContact CE2-CD1 3.55Å; F57-L72 HydrophobicContact CG-CB 4.07Å; F57-L72 HydrophobicContact CG-CD1 4.23Å; F57-L72 HydrophobicContact CZ-CD1 3.66Å; A68-L72 WeakPolarHBondContact O-CB 3.24Å; A68-L72 PolarHBondContact O-N 3.23Å; F69-L72 WeakPolarHBondContact O-CB 3.49Å; F69-L72 PolarHBondContact O-N 3.34Å; F69-L72 VanDerWaalsContact O-N 3.11Å; L72-Y75 WeakPolarHBondContact O-CB 3.31Å; L72-Y75 PolarHBondContact O-N 2.99Å; L72-F76 HydrophobicContact CD1-CD2 4.13Å; L72-F76 HydrophobicContact CD1-CE2 3.69Å; L72-F76 HydrophobicContact CG-CE2 4.45Å; L72-F76 WeakPolarHBondContact O-CD2 3.26Å; L72-F76 PolarHBondContact O-N 3.16Å
73A98.6Very high98Very high3 Ų348.6 Ų48.63%0.02522%0.222CC..Hα-helixtrans-60-50.9174.400000110.9I44 F46 F69 Y75 F76 E77I44-A73 HydrophobicContact CD1-CB 3.72Å; F46-A73 HydrophobicContact CE1-CB 4.32Å; F46-A73 HydrophobicContact CZ-CB 4.19Å; F69-A73 WeakPolarHBondContact O-CB 3.29Å; F69-A73 PolarHBondContact O-N 3.44Å; A73-Y75 VanDerWaalsContact C-N 3.28Å; A73-Y75 PolarHBondContact O-N 3.31Å; A73-F76 PolarHBondContact O-N 3.35Å; A73-E77 VanDerWaalsContact O-CB 3.27Å; A73-E77 WeakPolarHBondContact O-CB 3.33Å; A73-E77 PolarHBondContact O-N 3.18Å
74Q98.5Very high97.7Very high51 Ų5155.3 Ų55.324%0.23826%0.258CS..Hα-helixtrans-59.8-37.5179-171.465.749.100112.3R70 L71 F76 E77 Y78 E185 D189 S190R70-Q74 WeakPolarHBondContact O-CB 3.26Å; R70-Q74 PolarHBondContact O-N 3.47Å; L71-Q74 PolarHBondContact O-N 3.18Å; Q74-F76 PolarHBondContact O-N 2.9Å; Q74-E77 PolarHBondContact O-N 2.93Å; Q74-Y78 WeakPolarHBondContact O-CB 3.48Å; Q74-Y78 PolarHBondContact O-N 3.47Å; Q74-E185 PolarHBondContact NE2-OE1 2.82Å; Q74-D189 HydrophobicContact CG-CB 4.49Å; Q74-D189 VanDerWaalsContact CG-O 3.27Å; Q74-D189 WeakPolarHBondContact CG-O 3.45Å; Q74-S190 WeakPolarHBondContact CG-OG 3.45Å
75Y98.7Very high97.5Very high19 Ų1950.3 Ų50.38%0.07524%0.235CC..Hα-helixtrans-58.4-43.5176.7170.8-79.1000112.9F53 F57 L71 L72 A73 R79 E145 S190F53-Y75 HydrophobicContact CE2-CE1 4.48Å; F53-Y75 HydrophobicContact CZ-CD1 4.21Å; F53-Y75 AromaticContact CZ-CE1 3.65Å; F53-Y75 HydrophobicContact CZ-CE1 3.65Å; F53-Y75 HydrophobicContact CZ-CE2 4.49Å; F53-Y75 AromaticContact CZ-CZ 3.8Å; F57-Y75 HydrophobicContact CE1-CD2 4.14Å; F57-Y75 HydrophobicContact CE1-CG 4.03Å; F57-Y75 HydrophobicContact CZ-CD1 4.25Å; F57-Y75 AromaticContact CZ-CD2 3.84Å; F57-Y75 HydrophobicContact CZ-CD2 3.84Å; F57-Y75 HydrophobicContact CZ-CE2 4.36Å; F57-Y75 AromaticContact CZ-CG 3.79Å; F57-Y75 HydrophobicContact CZ-CG 3.79Å; L71-Y75 WeakPolarHBondContact O-CB 3.39Å; L71-Y75 PolarHBondContact O-N 3.22Å; L72-Y75 WeakPolarHBondContact O-CB 3.31Å; L72-Y75 PolarHBondContact O-N 2.99Å; A73-Y75 VanDerWaalsContact C-N 3.28Å; A73-Y75 PolarHBondContact O-N 3.31Å; Y75-R79 VanDerWaalsContact CE1-CZ 3.46Å; Y75-R79 VanDerWaalsContact CE1-NH1 3.32Å; Y75-R79 VanDerWaalsContact CG-NH1 3.29Å; Y75-R79 PolarHBondContact O-NH1 3.28Å; Y75-R79 VanDerWaalsContact OH-CZ 3.28Å; Y75-R79 PolarHBondContact OH-NH2 3.27Å; Y75-E145 WeakPolarHBondContact CE2-OE1 3.45Å; Y75-E145 PolarHBondContact OH-OE1 3.29Å; Y75-S190 VanDerWaalsContact CA-O 3.29Å; Y75-S190 WeakPolarHBondContact CA-O 3.3Å; Y75-S190 VanDerWaalsContact CB-O 3.24Å; Y75-S190 WeakPolarHBondContact CB-O 3.19Å; Y75-S190 WeakPolarHBondContact CD2-O 3.42Å
76F98.3Very high97.2Very high9 Ų949.6 Ų49.64%0.03923%0.231CC..Hα-helixtrans-82.2-37.6179.1-76-66.3000112.5I44 F46 L47 R48 F53 L72 A73 Q74 R79 Q80I44-F76 HydrophobicContact CG2-CB 3.56Å; F46-F76 HydrophobicContact CB-CD2 4.35Å; F46-F76 HydrophobicContact CB-CE2 4.35Å; F46-F76 AromaticContact CD1-CD2 3.47Å; F46-F76 HydrophobicContact CD1-CD2 3.47Å; F46-F76 VanDerWaalsContact CD1-CD2 3.47Å; F46-F76 AromaticContact CD1-CE2 3.9Å; F46-F76 HydrophobicContact CD1-CE2 3.9Å; F46-F76 HydrophobicContact CD1-CG 4.36Å; F46-F76 HydrophobicContact CE1-CD2 4.15Å; F46-F76 HydrophobicContact CG-CD2 4.22Å; L47-F76 HydrophobicContact CB-CE1 3.86Å; L47-F76 HydrophobicContact CG-CE1 4.38Å; R48-F76 HydrophobicContact CB-CZ 4.14Å; R48-F76 WeakPolarHBondContact O-CZ 3.39Å; F53-F76 AromaticContact CE1-CE2 3.83Å; F53-F76 HydrophobicContact CE1-CE2 3.83Å; F53-F76 AromaticContact CE1-CZ 3.71Å; F53-F76 HydrophobicContact CE1-CZ 3.71Å; F53-F76 HydrophobicContact CZ-CE2 4.4Å; F53-F76 HydrophobicContact CZ-CZ 4.02Å; L72-F76 HydrophobicContact CD1-CD2 4.13Å; L72-F76 HydrophobicContact CD1-CE2 3.69Å; L72-F76 HydrophobicContact CG-CE2 4.45Å; L72-F76 WeakPolarHBondContact O-CD2 3.26Å; L72-F76 PolarHBondContact O-N 3.16Å; A73-F76 PolarHBondContact O-N 3.35Å; Q74-F76 PolarHBondContact O-N 2.9Å; F76-R79 WeakPolarHBondContact O-CB 3.48Å; F76-R79 PolarHBondContact O-N 3.11Å; F76-R79 VanDerWaalsContact O-N 3.17Å; F76-Q80 WeakPolarHBondContact O-CG 3.27Å; F76-Q80 PolarHBondContact O-N 3.05Å; F76-Q80 PolarHBondContact O-NE2 3.17Å
77E97.9Very high96.7Very high42 Ų4250.2 Ų50.220%0.19623%0.234CC..Hα-helixtrans-61.4-44.9175.9-179162-149.600111.2R41 I44 A73 Q74 R79 Q80 Q81R41-E77 IonicContact CZ-OE2 2.71Å; R41-E77 IonicContact NH1-OE2 3.67Å; R41-E77 IonicContact NH2-OE1 3.92Å; R41-E77 PolarHBondContact NH2-OE1 3.38Å; R41-E77 IonicContact NH2-OE2 2.69Å; R41-E77 PolarHBondContact NH2-OE2 3.43Å; I44-E77 HydrophobicContact CD1-CB 4.01Å; I44-E77 HydrophobicContact CG1-CB 4.35Å; A73-E77 VanDerWaalsContact O-CB 3.27Å; A73-E77 WeakPolarHBondContact O-CB 3.33Å; A73-E77 PolarHBondContact O-N 3.18Å; Q74-E77 PolarHBondContact O-N 2.93Å; E77-R79 PolarHBondContact O-N 3.32Å; E77-Q80 PolarHBondContact O-N 2.86Å; E77-Q80 VanDerWaalsContact O-N 3.09Å; E77-Q81 HydrophobicContact CG-CG 4.38Å; E77-Q81 VanDerWaalsContact CG-NE2 3.33Å; E77-Q81 WeakPolarHBondContact O-CB 3.23Å; E77-Q81 WeakPolarHBondContact O-CG 3.27Å; E77-Q81 PolarHBondContact O-N 3.03Å; E77-Q81 PolarHBondContact OE1-NE2 2.72Å
78Y98.1Very high96.1Very high1 Ų151.1 Ų51.10%0.00425%0.247CC..Hα-helixtrans-56.5-37.8173.8-179.6-103.7000112.3Q74 N82 M85 F86 L141 L182 E185 G186 S190Q74-Y78 WeakPolarHBondContact O-CB 3.48Å; Q74-Y78 PolarHBondContact O-N 3.47Å; Y78-N82 WeakPolarHBondContact CD2-ND2 3.39Å; Y78-N82 WeakPolarHBondContact O-CB 3.36Å; Y78-N82 PolarHBondContact O-N 3.35Å; Y78-N82 PolarHBondContact O-ND2 2.95Å; Y78-M85 HydrophobicContact CE1-CE 3.54Å; Y78-M85 WeakPolarHBondContact OH-CE 3.3Å; Y78-F86 AromaticContact CD1-CE2 3.71Å; Y78-F86 HydrophobicContact CD1-CE2 3.71Å; Y78-F86 AromaticContact CD1-CZ 3.75Å; Y78-F86 HydrophobicContact CD1-CZ 3.75Å; Y78-F86 AromaticContact CE1-CE2 3.69Å; Y78-F86 HydrophobicContact CE1-CE2 3.69Å; Y78-F86 AromaticContact CE1-CZ 3.62Å; Y78-F86 HydrophobicContact CE1-CZ 3.62Å; Y78-L141 HydrophobicContact CE1-CD1 4.4Å; Y78-L182 HydrophobicContact CE2-CD1 3.83Å; Y78-L182 VanDerWaalsContact OH-CD1 3.3Å; Y78-L182 WeakPolarHBondContact OH-CD1 3.5Å; Y78-L182 PolarHBondContact OH-O 3.21Å; Y78-E185 HydrophobicContact CD2-CG 3.95Å; Y78-E185 HydrophobicContact CE2-CB 4.15Å; Y78-E185 HydrophobicContact CE2-CG 4.04Å; Y78-G186 VanDerWaalsContact CZ-CA 3.46Å; Y78-S190 WeakPolarHBondContact CB-OG 3.37Å
79R97.4Very high95.9Very high35 Ų3553.2 Ų53.213%0.13226%0.256CS..Hα-helixtrans-69.6-41.2175.7-75171.1171.774-1.9112.6Y75 F76 E77 Q81 N82 L83 F86 E145Y75-R79 VanDerWaalsContact CE1-CZ 3.46Å; Y75-R79 VanDerWaalsContact CE1-NH1 3.32Å; Y75-R79 VanDerWaalsContact CG-NH1 3.29Å; Y75-R79 PolarHBondContact O-NH1 3.28Å; Y75-R79 VanDerWaalsContact OH-CZ 3.28Å; Y75-R79 PolarHBondContact OH-NH2 3.27Å; F76-R79 WeakPolarHBondContact O-CB 3.48Å; F76-R79 PolarHBondContact O-N 3.11Å; F76-R79 VanDerWaalsContact O-N 3.17Å; E77-R79 PolarHBondContact O-N 3.32Å; R79-Q81 VanDerWaalsContact C-N 3.34Å; R79-N82 CarbonylContact O-C 3.5Å; R79-N82 PolarHBondContact O-N 3.48Å; R79-L83 PolarHBondContact O-N 3.26Å; R79-F86 HydrophobicContact CB-CD2 4.01Å; R79-F86 HydrophobicContact CB-CE2 4.11Å; R79-F86 HydrophobicContact CB-CG 4.39Å; R79-F86 HydrophobicContact CG-CD1 3.98Å; R79-F86 HydrophobicContact CG-CD2 3.73Å; R79-F86 HydrophobicContact CG-CE1 3.82Å; R79-F86 HydrophobicContact CG-CE2 3.52Å; R79-F86 HydrophobicContact CG-CG 3.92Å; R79-F86 HydrophobicContact CG-CZ 3.56Å; R79-E145 IonicContact CZ-OE1 2.86Å; R79-E145 IonicContact NH2-OE1 3.67Å; R79-E145 PolarHBondContact NH2-OE1 3.42Å
80Q96Very high95.7Very high72 Ų7259.3 Ų59.334%0.33628%0.282SS..Hα-helixtrans-68.5-32.9177.7-73.2166.652.200112.8I44 G45 F76 E77 L83I44-Q80 VanDerWaalsContact CG2-NE2 3.32Å; G45-Q80 PolarHBondContact O-NE2 3.33Å; F76-Q80 WeakPolarHBondContact O-CG 3.27Å; F76-Q80 PolarHBondContact O-N 3.05Å; F76-Q80 PolarHBondContact O-NE2 3.17Å; E77-Q80 PolarHBondContact O-N 2.86Å; E77-Q80 VanDerWaalsContact O-N 3.09Å; Q80-L83 WeakPolarHBondContact O-CG 3.33Å
81Q96.6Very high95.5Very high117 Ų11753.8 Ų53.855%0.54727%0.265SS..Hα-helixtrans-79-20.9177.5-68.6176.20.200112.7E77 R79E77-Q81 HydrophobicContact CG-CG 4.38Å; E77-Q81 VanDerWaalsContact CG-NE2 3.33Å; E77-Q81 WeakPolarHBondContact O-CB 3.23Å; E77-Q81 WeakPolarHBondContact O-CG 3.27Å; E77-Q81 PolarHBondContact O-N 3.03Å; E77-Q81 PolarHBondContact OE1-NE2 2.72Å; R79-Q81 VanDerWaalsContact C-N 3.34Å
82N96.8Very high95.3Very high42 Ų4256 Ų5623%0.22528%0.279CS..THydrogen-bonded Turntrans-122.344-175.9-60.1-79000112.2Y78 R79 D84 M85 F86 L182Y78-N82 WeakPolarHBondContact CD2-ND2 3.39Å; Y78-N82 WeakPolarHBondContact O-CB 3.36Å; Y78-N82 PolarHBondContact O-N 3.35Å; Y78-N82 PolarHBondContact O-ND2 2.95Å; R79-N82 CarbonylContact O-C 3.5Å; R79-N82 PolarHBondContact O-N 3.48Å; N82-D84 PolarHBondContact O-N 2.94Å; N82-D84 VanDerWaalsContact O-N 3.15Å; N82-M85 HydrophobicContact CB-CB 4.4Å; N82-M85 HydrophobicContact CB-CE 4.21Å; N82-M85 WeakPolarHBondContact O-CB 3.37Å; N82-M85 PolarHBondContact O-N 3.16Å; N82-F86 HydrophobicContact CB-CD2 4.29Å; N82-F86 HydrophobicContact CB-CE2 4.27Å; N82-F86 WeakPolarHBondContact O-CD2 3.2Å; N82-F86 PolarHBondContact O-N 2.9Å; N82-L182 VanDerWaalsContact OD1-CD1 3.26Å; N82-L182 WeakPolarHBondContact OD1-CD1 3.31Å
83L94.8Very high95.2Very high118 Ų11857.5 Ų57.562%0.61829%0.287SS*.Hα-helixtrans-53.8-37.7-174.5-71.1172.9000113.6R79 Q80 M85 F86 K87R79-L83 PolarHBondContact O-N 3.26Å; Q80-L83 WeakPolarHBondContact O-CG 3.33Å; L83-M85 PolarHBondContact O-N 2.81Å; L83-F86 CarbonylContact O-C 3.53Å; L83-F86 PolarHBondContact O-N 3.23Å; L83-F86 VanDerWaalsContact O-N 3.13Å; L83-K87 WeakPolarHBondContact O-CB 3.48Å; L83-K87 PolarHBondContact O-N 2.97Å
84D92.3Very high95Very high151 Ų15162.3 Ų62.381%0.80732%0.318SS*.Hα-helixtrans-61-35.1179.4-68-32000112.4N82N82-D84 PolarHBondContact O-N 2.94Å; N82-D84 VanDerWaalsContact O-N 3.15Å
85M94.1Very high94.9Very high10 Ų1060.3 Ų60.35%0.04931%0.311CS..Hα-helixtrans-74.9-31177.4-175.6179.67200112.2Y78 N82 L83 V134 L137 R138 L141 L182Y78-M85 HydrophobicContact CE1-CE 3.54Å; Y78-M85 WeakPolarHBondContact OH-CE 3.3Å; N82-M85 HydrophobicContact CB-CB 4.4Å; N82-M85 HydrophobicContact CB-CE 4.21Å; N82-M85 WeakPolarHBondContact O-CB 3.37Å; N82-M85 PolarHBondContact O-N 3.16Å; L83-M85 PolarHBondContact O-N 2.81Å; M85-V134 HydrophobicContact CB-CG1 4.26Å; M85-V134 HydrophobicContact CG-CG1 3.73Å; M85-V134 HydrophobicContact SD-CG1 4.03Å; M85-L137 HydrophobicContact SD-CD2 3.82Å; M85-L137 HydrophobicContact SD-CG 4.3Å; M85-R138 HydrophobicContact CG-CG 3.4Å; M85-R138 VanDerWaalsContact O-CD 3.31Å; M85-R138 WeakPolarHBondContact O-CD 3.3Å; M85-R138 WeakPolarHBondContact O-CG 3.41Å; M85-R138 PolarHBondContact O-NE 2.86Å; M85-R138 HydrophobicContact SD-CG 4.36Å; M85-L141 HydrophobicContact CE-CD1 4.13Å; M85-L182 HydrophobicContact SD-CD2 4.11Å
86F93.6Very high94.8Very high31 Ų3159.4 Ų59.414%0.13631%0.307CS..Hα-helixtrans-97.5-1.6-178.8-68.1-75.6000113.8Y78 R79 N82 L83 F89 L141Y78-F86 AromaticContact CD1-CE2 3.71Å; Y78-F86 HydrophobicContact CD1-CE2 3.71Å; Y78-F86 AromaticContact CD1-CZ 3.75Å; Y78-F86 HydrophobicContact CD1-CZ 3.75Å; Y78-F86 AromaticContact CE1-CE2 3.69Å; Y78-F86 HydrophobicContact CE1-CE2 3.69Å; Y78-F86 AromaticContact CE1-CZ 3.62Å; Y78-F86 HydrophobicContact CE1-CZ 3.62Å; R79-F86 HydrophobicContact CB-CD2 4.01Å; R79-F86 HydrophobicContact CB-CE2 4.11Å; R79-F86 HydrophobicContact CB-CG 4.39Å; R79-F86 HydrophobicContact CG-CD1 3.98Å; R79-F86 HydrophobicContact CG-CD2 3.73Å; R79-F86 HydrophobicContact CG-CE1 3.82Å; R79-F86 HydrophobicContact CG-CE2 3.52Å; R79-F86 HydrophobicContact CG-CG 3.92Å; R79-F86 HydrophobicContact CG-CZ 3.56Å; N82-F86 HydrophobicContact CB-CD2 4.29Å; N82-F86 HydrophobicContact CB-CE2 4.27Å; N82-F86 WeakPolarHBondContact O-CD2 3.2Å; N82-F86 PolarHBondContact O-N 2.9Å; L83-F86 CarbonylContact O-C 3.53Å; L83-F86 PolarHBondContact O-N 3.23Å; L83-F86 VanDerWaalsContact O-N 3.13Å; F86-F89 HydrophobicContact CD1-CD1 4.29Å; F86-F89 HydrophobicContact CD1-CD2 4.16Å; F86-F89 HydrophobicContact CD1-CE1 4.44Å; F86-F89 HydrophobicContact CD1-CE2 4.31Å; F86-F89 HydrophobicContact CD1-CG 4.14Å; F86-F89 HydrophobicContact CD1-CZ 4.44Å; F86-F89 HydrophobicContact CE1-CE1 4.5Å; F86-F89 HydrophobicContact CE1-CE2 4.39Å; F86-F89 HydrophobicContact CE1-CZ 4.29Å; F86-F89 VanDerWaalsContact O-CB 3.32Å; F86-F89 WeakPolarHBondContact O-CB 3.34Å; F86-L141 HydrophobicContact CE1-CD1 4.26Å; F86-L141 HydrophobicContact CZ-CD1 4.08Å
87K87.3Confident94.7Very high146 Ų14660 Ų6064%0.63531%0.31SS*.THydrogen-bonded Turntrans-66.4136.8167.9-169.6176.6-179.1-178.70109.1L83 F89 R138L83-K87 WeakPolarHBondContact O-CB 3.48Å; L83-K87 PolarHBondContact O-N 2.97Å; K87-F89 PolarHBondContact O-N 3.36Å; K87-F89 VanDerWaalsContact O-N 3.14Å; K87-R138 PolarHBondContact O-NH2 3.25Å
88S86.1Confident94.7Very high78 Ų7859.5 Ų59.555%0.54531%0.308SS..THydrogen-bonded Turntrans50.837.7-178.4-57.20000113.2K90S88-K90 VanDerWaalsContact C-N 3.25Å; S88-K90 PolarHBondContact O-N 3.14Å
89F93.4Very high94.7Very high44 Ų4459.5 Ų59.519%0.19331%0.307CS..  trans-72.577-177.3-168.5-115.8000111.7F86 K87 I96 R138 L141 L142F86-F89 HydrophobicContact CD1-CD1 4.29Å; F86-F89 HydrophobicContact CD1-CD2 4.16Å; F86-F89 HydrophobicContact CD1-CE1 4.44Å; F86-F89 HydrophobicContact CD1-CE2 4.31Å; F86-F89 HydrophobicContact CD1-CG 4.14Å; F86-F89 HydrophobicContact CD1-CZ 4.44Å; F86-F89 HydrophobicContact CE1-CE1 4.5Å; F86-F89 HydrophobicContact CE1-CE2 4.39Å; F86-F89 HydrophobicContact CE1-CZ 4.29Å; F86-F89 VanDerWaalsContact O-CB 3.32Å; F86-F89 WeakPolarHBondContact O-CB 3.34Å; K87-F89 PolarHBondContact O-N 3.36Å; K87-F89 VanDerWaalsContact O-N 3.14Å; F89-I96 HydrophobicContact CD2-CD1 4.13Å; F89-R138 HydrophobicContact CD2-CB 4.3Å; F89-R138 HydrophobicContact CD2-CG 4.43Å; F89-R138 HydrophobicContact CE2-CB 3.92Å; F89-R138 HydrophobicContact CE2-CG 4.3Å; F89-R138 VanDerWaalsContact CE2-O 3.28Å; F89-R138 WeakPolarHBondContact CE2-O 3.34Å; F89-L141 HydrophobicContact CE2-CB 4.42Å; F89-L141 HydrophobicContact CZ-CB 3.85Å; F89-L142 HydrophobicContact CD1-CD1 4.04Å; F89-L142 HydrophobicContact CE1-CB 4.19Å; F89-L142 HydrophobicContact CE1-CD1 3.76Å; F89-L142 HydrophobicContact CE2-CB 4.24Å; F89-L142 HydrophobicContact CZ-CB 3.76Å; F89-L142 HydrophobicContact CZ-CD1 4.2Å
90K94.9Very high94.7Very high140 Ų14057.8 Ų57.861%0.60930%0.301SS*.SBendtrans-137.7152.7-178.8-63.6-174.3178-174.40109.5S88 T92 D93 I96S88-K90 VanDerWaalsContact C-N 3.25Å; S88-K90 PolarHBondContact O-N 3.14Å; K90-T92 PolarHBondContact O-N 2.63Å; K90-T92 VanDerWaalsContact O-N 3.13Å; K90-D93 WeakPolarHBondContact O-CB 3.2Å; K90-D93 PolarHBondContact O-N 3.09Å; K90-D93 VanDerWaalsContact O-N 3.07Å; K90-I96 WeakPolarHBondContact O-CD1 3.23Å
91A95.3Very high94.7Very high15 Ų1556.1 Ų56.112%0.12429%0.293CS..THydrogen-bonded Turntrans-58.4-29.2179.600000112.4D93 K97 L100 L142 L265 L266A91-D93 VanDerWaalsContact C-N 3.34Å; A91-D93 PolarHBondContact O-N 2.98Å; A91-K97 VanDerWaalsContact O-CA 3.3Å; A91-K97 WeakPolarHBondContact O-CA 3.39Å; A91-K97 VanDerWaalsContact O-CB 3.32Å; A91-K97 WeakPolarHBondContact O-CB 3.12Å; A91-K97 PolarHBondContact O-N 3.15Å; A91-L100 HydrophobicContact CB-CD1 4.2Å; A91-L142 HydrophobicContact CB-CD2 3.85Å; A91-L142 VanDerWaalsContact N-CD2 3.35Å; A91-L265 HydrophobicContact CB-CB 4.46Å; A91-L266 HydrophobicContact CB-CD2 3.68Å; A91-L266 HydrophobicContact CB-CG 4.24Å; A91-L266 WeakPolarHBondContact O-CD2 3.39Å
92T94.2Very high94.8Very high53 Ų5352.1 Ų52.133%0.32528%0.275SS..THydrogen-bonded Turntrans-77.2-8.8178.942.60000116.1K90 L266 E269K90-T92 PolarHBondContact O-N 2.63Å; K90-T92 VanDerWaalsContact O-N 3.13Å; T92-L266 HydrophobicContact CG2-CD2 4.35Å; T92-E269 HydrophobicContact CG2-CB 4.15Å; T92-E269 HydrophobicContact CG2-CG 4.25Å; T92-E269 WeakPolarHBondContact CG2-OE2 3.41Å
93D95.7Very high94.8Very high30 Ų3050.1 Ų50.116%0.1626%0.264CS..SBendtrans-57.1129.5171.6177-80.4000109.1K90 A91 G95 I96 K97 R138K90-D93 WeakPolarHBondContact O-CB 3.2Å; K90-D93 PolarHBondContact O-N 3.09Å; K90-D93 VanDerWaalsContact O-N 3.07Å; A91-D93 VanDerWaalsContact C-N 3.34Å; A91-D93 PolarHBondContact O-N 2.98Å; D93-G95 VanDerWaalsContact C-N 3.25Å; D93-G95 PolarHBondContact O-N 3.29Å; D93-G95 VanDerWaalsContact O-N 3.12Å; D93-G95 PolarHBondContact OD1-N 2.97Å; D93-I96 HydrophobicContact CB-CB 4.09Å; D93-I96 HydrophobicContact CB-CD1 3.93Å; D93-I96 HydrophobicContact CB-CG1 4.02Å; D93-I96 PolarHBondContact O-N 3.32Å; D93-I96 PolarHBondContact OD1-N 2.8Å; D93-K97 WeakPolarHBondContact O-CB 3.34Å; D93-K97 PolarHBondContact O-N 3Å; D93-R138 VanDerWaalsContact CG-NH1 3.27Å; D93-R138 VanDerWaalsContact CG-NH2 3.3Å; D93-R138 IonicContact OD1-CZ 3.56Å; D93-R138 IonicContact OD1-NH1 3.31Å; D93-R138 PolarHBondContact OD1-NH1 2.65Å; D93-R138 IonicContact OD1-NH2 3.3Å; D93-R138 IonicContact OD2-CZ 3.84Å; D93-R138 IonicContact OD2-NH1 3.73Å; D93-R138 PolarHBondContact OD2-NH1 3.14Å; D93-R138 IonicContact OD2-NH2 3.98Å; D93-R138 PolarHBondContact OD2-NH2 2.96Å
94P95Very high94.9Very high105 Ų10544.8 Ų44.868%0.68224%0.236SC*.Hα-helixtrans-55.1-38.3-169.7-29.335.1000114.3Q98P94-Q98 VanDerWaalsContact O-CB 3.31Å; P94-Q98 WeakPolarHBondContact O-CB 2.8Å; P94-Q98 PolarHBondContact O-N 2.86Å; P94-Q98 VanDerWaalsContact O-N 3.08Å
95G96Very high95.2Very high9 Ų937.6 Ų37.69%0.09320%0.198CC..Hα-helixtrans-69.5-44.4178.200000111.8D93 A99D93-G95 VanDerWaalsContact C-N 3.25Å; D93-G95 PolarHBondContact O-N 3.29Å; D93-G95 VanDerWaalsContact O-N 3.12Å; D93-G95 PolarHBondContact OD1-N 2.97Å; G95-A99 WeakPolarHBondContact O-CB 3.24Å; G95-A99 PolarHBondContact O-N 3.25Å
96I97.4Very high95.4Very high0 Ų037.1 Ų37.10%020%0.196CC..Hα-helixtrans-65.1-49.7177.4-62.1180000110.6F89 K90 D93 Q98 A99 L100 R138 A139 L142F89-I96 HydrophobicContact CD2-CD1 4.13Å; K90-I96 WeakPolarHBondContact O-CD1 3.23Å; D93-I96 HydrophobicContact CB-CB 4.09Å; D93-I96 HydrophobicContact CB-CD1 3.93Å; D93-I96 HydrophobicContact CB-CG1 4.02Å; D93-I96 PolarHBondContact O-N 3.32Å; D93-I96 PolarHBondContact OD1-N 2.8Å; I96-Q98 VanDerWaalsContact C-N 3.27Å; I96-Q98 PolarHBondContact O-N 2.84Å; I96-A99 PolarHBondContact O-N 2.96Å; I96-L100 HydrophobicContact CG2-CD1 3.89Å; I96-L100 HydrophobicContact CG2-CG 4.28Å; I96-L100 WeakPolarHBondContact O-CG 3.31Å; I96-L100 PolarHBondContact O-N 2.96Å; I96-R138 HydrophobicContact CD1-CB 3.72Å; I96-R138 HydrophobicContact CG1-CB 3.74Å; I96-A139 HydrophobicContact CG2-CB 4Å; I96-L142 HydrophobicContact CG2-CD2 3.97Å
97K96.8Very high95.5Very high22 Ų2235.9 Ų35.910%0.09619%0.191CC..Hα-helixtrans-54.5-47.2179.2-171.3178.7-173.8-179.40110.4A91 D93 L100 K101 L266 E269 D273A91-K97 VanDerWaalsContact O-CA 3.3Å; A91-K97 WeakPolarHBondContact O-CA 3.39Å; A91-K97 VanDerWaalsContact O-CB 3.32Å; A91-K97 WeakPolarHBondContact O-CB 3.12Å; A91-K97 PolarHBondContact O-N 3.15Å; D93-K97 WeakPolarHBondContact O-CB 3.34Å; D93-K97 PolarHBondContact O-N 3Å; K97-L100 PolarHBondContact O-N 3.11Å; K97-K101 WeakPolarHBondContact O-CG 3.12Å; K97-K101 PolarHBondContact O-N 2.91Å; K97-L266 HydrophobicContact CD-CD2 4.43Å; K97-L266 HydrophobicContact CG-CD1 3.82Å; K97-L266 HydrophobicContact CG-CD2 4Å; K97-E269 WeakPolarHBondContact CE-O 3.49Å; K97-E269 PolarHBondContact NZ-O 3.19Å; K97-D273 WeakPolarHBondContact CE-OD2 3.33Å; K97-D273 IonicContact NZ-OD1 3.59Å; K97-D273 PolarHBondContact NZ-OD1 3.25Å; K97-D273 IonicContact NZ-OD2 2.83Å; K97-D273 PolarHBondContact NZ-OD2 3.47Å; K97-D273 VanDerWaalsContact NZ-OD2 3.1Å
98Q97.3Very high96Very high31 Ų3129.1 Ų29.115%0.14516%0.162CC..Hα-helixtrans-68.2-43.7-179.8-169.151.555.100112.4P94 I96 L100 K101 D102 R130 Y131P94-Q98 VanDerWaalsContact O-CB 3.31Å; P94-Q98 WeakPolarHBondContact O-CB 2.8Å; P94-Q98 PolarHBondContact O-N 2.86Å; P94-Q98 VanDerWaalsContact O-N 3.08Å; I96-Q98 VanDerWaalsContact C-N 3.27Å; I96-Q98 PolarHBondContact O-N 2.84Å; Q98-L100 VanDerWaalsContact C-N 3.31Å; Q98-L100 PolarHBondContact O-N 2.97Å; Q98-K101 PolarHBondContact O-N 2.92Å; Q98-D102 PolarHBondContact NE2-OD1 3.03Å; Q98-D102 PolarHBondContact NE2-OD2 3.05Å; Q98-D102 PolarHBondContact O-N 2.87Å; Q98-R130 VanDerWaalsContact CD-NH1 3.33Å; Q98-R130 VanDerWaalsContact NE2-CZ 3.3Å; Q98-R130 VanDerWaalsContact NE2-NH2 3.2Å; Q98-Y131 HydrophobicContact CB-CD1 4.06Å; Q98-Y131 HydrophobicContact CG-CD1 3.67Å; Q98-Y131 HydrophobicContact CG-CE1 3.9Å
99A97.9Very high96.5Very high0 Ų029.9 Ų29.90%017%0.173CC..Hα-helixtrans-57.7-43.8175.200000111.8G95 I96 D102 G103 F104 Y131 I136 A139G95-A99 WeakPolarHBondContact O-CB 3.24Å; G95-A99 PolarHBondContact O-N 3.25Å; I96-A99 PolarHBondContact O-N 2.96Å; A99-D102 PolarHBondContact O-N 3.27Å; A99-G103 PolarHBondContact O-N 3.45Å; A99-F104 HydrophobicContact CB-CB 4.23Å; A99-F104 WeakPolarHBondContact O-CA 3.07Å; A99-F104 WeakPolarHBondContact O-CB 3.08Å; A99-F104 PolarHBondContact O-N 2.88Å; A99-Y131 HydrophobicContact CB-CD2 3.82Å; A99-Y131 HydrophobicContact CB-CE2 3.71Å; A99-I136 HydrophobicContact CB-CG1 4.31Å; A99-A139 HydrophobicContact CB-CB 3.94Å
100L97.8Very high96.6Very high0 Ų031.2 Ų31.20%018%0.182CC..Hα-helixtrans-61.1-47.5176.1-71.7172.2000111.6A91 I96 K97 Q98 D102 G103 A139 A262 L265A91-L100 HydrophobicContact CB-CD1 4.2Å; I96-L100 HydrophobicContact CG2-CD1 3.89Å; I96-L100 HydrophobicContact CG2-CG 4.28Å; I96-L100 WeakPolarHBondContact O-CG 3.31Å; I96-L100 PolarHBondContact O-N 2.96Å; K97-L100 PolarHBondContact O-N 3.11Å; Q98-L100 VanDerWaalsContact C-N 3.31Å; Q98-L100 PolarHBondContact O-N 2.97Å; L100-D102 PolarHBondContact O-N 2.86Å; L100-G103 PolarHBondContact O-N 3.4Å; L100-A139 HydrophobicContact CD2-CB 4.03Å; L100-A139 HydrophobicContact CG-CB 4.04Å; L100-A262 HydrophobicContact CB-CB 3.92Å; L100-L265 HydrophobicContact CD1-CB 4.44Å; L100-L265 HydrophobicContact CD1-CD1 3.99Å; L100-L265 HydrophobicContact CD2-CD1 3.87Å
101K96.6Very high96.8Very high37 Ų3728 Ų2816%0.16117%0.171CC..Hα-helixtrans-59.3-33.9177.6-76.5-175.8170.9-168.60112.8K97 Q98 G103 A262 Y270 D273K97-K101 WeakPolarHBondContact O-CG 3.12Å; K97-K101 PolarHBondContact O-N 2.91Å; Q98-K101 PolarHBondContact O-N 2.92Å; K101-G103 PolarHBondContact O-N 3.46Å; K101-A262 HydrophobicContact CG-CB 4.48Å; K101-Y270 HydrophobicContact CD-CE2 4.39Å; K101-Y270 WeakPolarHBondContact CE-O 3.45Å; K101-Y270 HydrophobicContact CG-CD2 4.36Å; K101-Y270 HydrophobicContact CG-CE2 3.78Å; K101-Y270 PolarHBondContact NZ-O 2.84Å; K101-D273 IonicContact NZ-OD2 3.68Å; K101-D273 PolarHBondContact NZ-OD2 2.84Å
102D97.1Very high96.9Very high32 Ų3227.7 Ų27.717%0.17117%0.168CC..THydrogen-bonded Turntrans-84.65.5178.3-64.6-24.6000113.2Q98 A99 L100 F104 N125 R130 Y131Q98-D102 PolarHBondContact NE2-OD1 3.03Å; Q98-D102 PolarHBondContact NE2-OD2 3.05Å; Q98-D102 PolarHBondContact O-N 2.87Å; A99-D102 PolarHBondContact O-N 3.27Å; L100-D102 PolarHBondContact O-N 2.86Å; D102-F104 HydrophobicContact CB-CD2 4.13Å; D102-F104 HydrophobicContact CB-CE2 4.3Å; D102-N125 HydrophobicContact CB-CB 4.49Å; D102-N125 WeakPolarHBondContact O-CB 3.49Å; D102-N125 PolarHBondContact O-ND2 3.21Å; D102-R130 IonicContact OD1-NH1 2.6Å; D102-R130 IonicContact OD2-NH1 3.68Å; D102-Y131 WeakPolarHBondContact CB-OH 3.48Å; D102-Y131 WeakPolarHBondContact OD2-CE1 3.17Å; D102-Y131 PolarHBondContact OD2-OH 2.77Å
103G96.9Very high97Very high0 Ų028.9 Ų28.90%017%0.169CC..THydrogen-bonded Turntrans86.327.6175.400000114.5A99 L100 K101 P105 G106A99-G103 PolarHBondContact O-N 3.45Å; L100-G103 PolarHBondContact O-N 3.4Å; K101-G103 PolarHBondContact O-N 3.46Å; G103-P105 VanDerWaalsContact C-C 3.42Å; G103-P105 CarbonylContact O-C 3.57Å; G103-P105 WeakPolarHBondContact O-CA 3.38Å; G103-G106 PolarHBondContact O-N 3.07Å
104F97.8Very high97Very high6 Ų633.6 Ų33.63%0.02619%0.186CC..THydrogen-bonded Turntrans-110.995.2176.1-64.9-75.2000112.5A99 D102 L121 F122 N125 W126 Y131 I136 A139A99-F104 HydrophobicContact CB-CB 4.23Å; A99-F104 WeakPolarHBondContact O-CA 3.07Å; A99-F104 WeakPolarHBondContact O-CB 3.08Å; A99-F104 PolarHBondContact O-N 2.88Å; D102-F104 HydrophobicContact CB-CD2 4.13Å; D102-F104 HydrophobicContact CB-CE2 4.3Å; F104-L121 HydrophobicContact CD1-CB 4.38Å; F104-L121 HydrophobicContact CD1-CD2 4.17Å; F104-L121 HydrophobicContact CE1-CB 4.4Å; F104-F122 WeakPolarHBondContact CZ-O 3.44Å; F104-N125 HydrophobicContact CE2-CB 3.65Å; F104-N125 HydrophobicContact CZ-CB 3.89Å; F104-W126 HydrophobicContact CE2-CB 4.12Å; F104-W126 HydrophobicContact CZ-CB 3.87Å; F104-Y131 HydrophobicContact CD2-CE2 4.31Å; F104-Y131 VanDerWaalsContact CD2-OH 3.3Å; F104-Y131 WeakPolarHBondContact CD2-OH 3.39Å; F104-Y131 WeakPolarHBondContact CE2-OH 3.13Å; F104-I136 HydrophobicContact CB-CG1 4.13Å; F104-I136 HydrophobicContact CB-CG2 4.07Å; F104-I136 HydrophobicContact CD1-CD1 4.25Å; F104-I136 HydrophobicContact CD1-CG1 4.43Å; F104-I136 HydrophobicContact CD1-CG2 4.1Å; F104-I136 HydrophobicContact CD2-CD1 4.33Å; F104-I136 HydrophobicContact CD2-CG1 4.34Å; F104-I136 HydrophobicContact CE1-CD1 4.41Å; F104-I136 HydrophobicContact CE2-CD1 4.46Å; F104-I136 HydrophobicContact CG-CD1 4.21Å; F104-I136 HydrophobicContact CG-CG1 4.05Å; F104-I136 HydrophobicContact CG-CG2 4.27Å; F104-I136 HydrophobicContact CZ-CD1 4.5Å; F104-A139 WeakPolarHBondContact O-CB 3.32Å
105P98Very high97.1Very high1 Ų129.5 Ų29.51%0.00616%0.163CC..THydrogen-bonded Turncis-85.1157.8-12.735.4-31.8000112.1G103 L119 L121 I140 S143G103-P105 VanDerWaalsContact C-C 3.42Å; G103-P105 CarbonylContact O-C 3.57Å; G103-P105 WeakPolarHBondContact O-CA 3.38Å; P105-L119 HydrophobicContact CB-CD2 4.38Å; P105-L119 HydrophobicContact CG-CD2 4.46Å; P105-L121 HydrophobicContact CB-CD2 3.61Å; P105-I140 HydrophobicContact CB-CG1 4.22Å; P105-I140 HydrophobicContact CG-CG1 4.11Å; P105-S143 WeakPolarHBondContact CD-OG 3.33Å
106G97.8Very high97.2Very high0 Ų030.6 Ų30.60%016%0.164CC..EExtended strand (participates in β ladder)trans-80.7144.3155.200000110.1G103 L119 V120 Y256G103-G106 PolarHBondContact O-N 3.07Å; G106-L119 CarbonylContact O-C 3.52Å; G106-L119 WeakPolarHBondContact O-CA 3.29Å; G106-V120 PolarHBondContact N-O 3.5Å; G106-V120 PolarHBondContact O-N 2.91Å; G106-Y256 VanDerWaalsContact CA-OH 3.29Å; G106-Y256 WeakPolarHBondContact CA-OH 3.35Å
107G97.3Very high97.3Very high4 Ų432.1 Ų32.14%0.04117%0.171CC..EExtended strand (participates in β ladder)trans-115.6123.1168.600000110.2Y256G107-Y256 PolarHBondContact N-OH 2.82Å; G107-Y256 PolarHBondContact O-OH 3.1Å
108L97.8Very high97.4Very high5 Ų531.1 Ų31.13%0.02617%0.166CC..EExtended strand (participates in β ladder)trans-72.4145.4174.4-57.9-168.5000110.4K117 I118 V120 L245 P246 Y256L108-K117 VanDerWaalsContact O-CE 3.29Å; L108-K117 WeakPolarHBondContact O-CE 3.49Å; L108-K117 PolarHBondContact O-NZ 2.91Å; L108-I118 HydrophobicContact CB-CB 4.23Å; L108-I118 HydrophobicContact CD1-CB 3.91Å; L108-I118 HydrophobicContact CD1-CD1 4.14Å; L108-I118 HydrophobicContact CD1-CG2 3.68Å; L108-I118 HydrophobicContact CG-CB 4.1Å; L108-I118 HydrophobicContact CG-CG2 4.08Å; L108-I118 PolarHBondContact N-O 2.83Å; L108-V120 HydrophobicContact CD1-CG1 4.24Å; L108-V120 HydrophobicContact CD2-CG1 4Å; L108-V120 HydrophobicContact CD2-CG2 4.18Å; L108-V120 HydrophobicContact CG-CG1 4.02Å; L108-L245 HydrophobicContact CD1-CD2 3.98Å; L108-P246 HydrophobicContact CD1-CG 4.36Å; L108-P246 HydrophobicContact CD2-CG 3.65Å; L108-Y256 HydrophobicContact CD2-CD2 3.51Å; L108-Y256 HydrophobicContact CD2-CE2 3.65Å; L108-Y256 HydrophobicContact CD2-CG 4.38Å
109A95.3Very high97.4Very high94 Ų9429.7 Ų29.778%0.77716%0.159SC*.EExtended strand (participates in β ladder)trans-65.9-43.9176.900000111.2
110N96.9Very high97.5Very high71 Ų7129.7 Ų29.738%0.3816%0.159SC..EExtended strand (participates in β ladder)trans-75.8147.2178.3-61.679.5000112.1I244N110-I244 HydrophobicContact CB-CB 3.82Å; N110-I244 HydrophobicContact CB-CG2 3.93Å
111L97.8Very high97.5Very high74 Ų7430.5 Ų30.539%0.38716%0.164SC..EExtended strand (participates in β ladder)trans-91.1159.6168.7-54.5177.9000109.4R116 K117 L153 I244L111-R116 WeakPolarHBondContact CA-O 3.32Å; L111-K117 HydrophobicContact CD2-CB 4.19Å; L111-K117 HydrophobicContact CD2-CD 3.96Å; L111-L153 HydrophobicContact CD2-CD2 4.22Å; L111-I244 VanDerWaalsContact O-CD1 3.23Å; L111-I244 WeakPolarHBondContact O-CD1 3.47Å
112D97.6Very high97.6Very high8 Ų829.3 Ų29.34%0.04316%0.159CC..  trans-74.9175.8169.680.42.9000113.3Y114 G115 R116 I118 V159 I240 I244D112-Y114 PolarHBondContact O-N 3.4Å; D112-Y114 WeakPolarHBondContact OD1-CA 3.19Å; D112-Y114 WeakPolarHBondContact OD1-CB 3.37Å; D112-Y114 PolarHBondContact OD1-N 2.85Å; D112-G115 PolarHBondContact O-N 3.32Å; D112-G115 PolarHBondContact OD1-N 3.32Å; D112-R116 PolarHBondContact N-O 3.28Å; D112-R116 VanDerWaalsContact OD1-CB 3.3Å; D112-R116 WeakPolarHBondContact OD1-CB 3.28Å; D112-R116 PolarHBondContact OD1-N 2.71Å; D112-R116 IonicContact OD1-NE 3.88Å; D112-R116 PolarHBondContact OD1-NE 3.42Å; D112-R116 IonicContact OD2-CZ 3.64Å; D112-R116 IonicContact OD2-NE 3.11Å; D112-R116 PolarHBondContact OD2-NE 3.3Å; D112-R116 IonicContact OD2-NH2 3.89Å; D112-R116 PolarHBondContact OD2-NH2 3.5Å; D112-I118 HydrophobicContact CB-CD1 4.03Å; D112-I118 HydrophobicContact CB-CG1 4.22Å; D112-V159 WeakPolarHBondContact OD2-CG2 3.47Å; D112-I240 HydrophobicContact CB-CG2 4.47Å; D112-I244 HydrophobicContact CB-CD1 4.09Å
113H95.9Very high97.6Very high77 Ų7728.3 Ų28.336%0.35616%0.155SC..THydrogen-bonded Turntrans-67.1-3.1-178.558.3-84.2000114.8L239 H241H113-L239 PolarHBondContact CE1-O 2.93Å; H113-H241 AromaticContact CE1-CD2 3.97Å; H113-H241 AromaticContact CE1-NE2 3.93Å; H113-H241 AromaticContact CG-CE1 3.91Å; H113-H241 AromaticContact ND1-CD2 3.87Å; H113-H241 AromaticContact ND1-CG 3.98Å; H113-H241 AromaticContact ND1-NE2 3.89Å
114Y96.2Very high97.6Very high130 Ų13029.9 Ų29.951%0.5117%0.168SC..THydrogen-bonded Turntrans-106.17.8170.5-59.8-74.5000112.8K15 D112 R116K15-Y114 PolarHBondContact NZ-O 2.9Å; D112-Y114 PolarHBondContact O-N 3.4Å; D112-Y114 WeakPolarHBondContact OD1-CA 3.19Å; D112-Y114 WeakPolarHBondContact OD1-CB 3.37Å; D112-Y114 PolarHBondContact OD1-N 2.85Å; Y114-R116 VanDerWaalsContact C-N 3.34Å
115G97.4Very high97.5Very high19 Ų1932.5 Ų32.520%0.19618%0.182CC..SBendtrans7716-177.200000113.9D112 N156D112-G115 PolarHBondContact O-N 3.32Å; D112-G115 PolarHBondContact OD1-N 3.32Å; G115-N156 WeakPolarHBondContact O-CB 3.36Å
116R98.4Very high97.5Very high32 Ų3233.1 Ų33.112%0.12118%0.184CC..PPolyproline II helixtrans-85.5141.2-176.2-56178.2-67.1-173.511.7110.7L111 D112 Y114 I118 N156 G157 V159 G196L111-R116 WeakPolarHBondContact CA-O 3.32Å; D112-R116 PolarHBondContact N-O 3.28Å; D112-R116 VanDerWaalsContact OD1-CB 3.3Å; D112-R116 WeakPolarHBondContact OD1-CB 3.28Å; D112-R116 PolarHBondContact OD1-N 2.71Å; D112-R116 IonicContact OD1-NE 3.88Å; D112-R116 PolarHBondContact OD1-NE 3.42Å; D112-R116 IonicContact OD2-CZ 3.64Å; D112-R116 IonicContact OD2-NE 3.11Å; D112-R116 PolarHBondContact OD2-NE 3.3Å; D112-R116 IonicContact OD2-NH2 3.89Å; D112-R116 PolarHBondContact OD2-NH2 3.5Å; Y114-R116 VanDerWaalsContact C-N 3.34Å; R116-I118 PolarHBondContact O-N 2.92Å; R116-N156 WeakPolarHBondContact CG-O 3.46Å; R116-G157 VanDerWaalsContact CA-O 3.25Å; R116-G157 WeakPolarHBondContact CA-O 3.49Å; R116-G157 WeakPolarHBondContact CB-O 3.43Å; R116-V159 HydrophobicContact CB-CG2 3.97Å; R116-V159 HydrophobicContact CG-CG2 4.49Å; R116-V159 VanDerWaalsContact NE-CG2 3.27Å; R116-G196 VanDerWaalsContact NH1-CA 3.32Å
117K98.6Very high97.3Very high32 Ų3236.3 Ų36.314%0.13920%0.201CC..EExtended strand (participates in β ladder)trans-72.8127.3172.1-174.765.4165.9-174.20110.1L108 L111 M147 L153 G157 F158 V159L108-K117 VanDerWaalsContact O-CE 3.29Å; L108-K117 WeakPolarHBondContact O-CE 3.49Å; L108-K117 PolarHBondContact O-NZ 2.91Å; L111-K117 HydrophobicContact CD2-CB 4.19Å; L111-K117 HydrophobicContact CD2-CD 3.96Å; K117-M147 HydrophobicContact CG-SD 3.76Å; K117-L153 HydrophobicContact CB-CD1 3.85Å; K117-L153 HydrophobicContact CB-CD2 3.77Å; K117-L153 HydrophobicContact CB-CG 4.46Å; K117-L153 HydrophobicContact CG-CD1 4.18Å; K117-G157 PolarHBondContact N-O 3.3Å; K117-F158 HydrophobicContact CB-CD1 3.71Å; K117-F158 HydrophobicContact CB-CE1 3.92Å; K117-F158 HydrophobicContact CG-CD1 4.19Å; K117-F158 HydrophobicContact CG-CE1 4.23Å; K117-F158 CarbonylContact O-C 3.35Å; K117-F158 VanDerWaalsContact O-CA 3.28Å; K117-F158 WeakPolarHBondContact O-CA 3.33Å; K117-V159 PolarHBondContact O-N 3.34Å
118I98.7Very high97.1Very high0 Ų038.9 Ų38.90%021%0.212CC..EExtended strand (participates in β ladder)trans-92.7118.5178.4-54.2168.7000109.1L108 D112 R116 V120 I161 I240 I244 L245L108-I118 HydrophobicContact CB-CB 4.23Å; L108-I118 HydrophobicContact CD1-CB 3.91Å; L108-I118 HydrophobicContact CD1-CD1 4.14Å; L108-I118 HydrophobicContact CD1-CG2 3.68Å; L108-I118 HydrophobicContact CG-CB 4.1Å; L108-I118 HydrophobicContact CG-CG2 4.08Å; L108-I118 PolarHBondContact N-O 2.83Å; D112-I118 HydrophobicContact CB-CD1 4.03Å; D112-I118 HydrophobicContact CB-CG1 4.22Å; R116-I118 PolarHBondContact O-N 2.92Å; I118-V120 HydrophobicContact CG2-CG1 4.23Å; I118-I161 HydrophobicContact CG2-CD1 3.7Å; I118-I161 HydrophobicContact CG2-CG1 4.06Å; I118-I240 HydrophobicContact CD1-CG2 3.93Å; I118-I244 HydrophobicContact CD1-CD1 3.72Å; I118-L245 HydrophobicContact CD1-CD2 4.35Å
119L98.6Very high96.9Very high1 Ų143.5 Ų43.51%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-97.6138.9169.6-62.9178.6000109.4P105 G106 L144 M147 F158 V159 L160 I161P105-L119 HydrophobicContact CB-CD2 4.38Å; P105-L119 HydrophobicContact CG-CD2 4.46Å; G106-L119 CarbonylContact O-C 3.52Å; G106-L119 WeakPolarHBondContact O-CA 3.29Å; L119-L144 HydrophobicContact CD1-CD2 3.75Å; L119-L144 HydrophobicContact CD1-CG 4.46Å; L119-M147 HydrophobicContact CD2-CE 3.56Å; L119-M147 HydrophobicContact CD2-SD 3.67Å; L119-F158 HydrophobicContact CD1-CD1 4.33Å; L119-F158 HydrophobicContact CG-CD1 4.48Å; L119-V159 PolarHBondContact N-O 3.11Å; L119-L160 HydrophobicContact CB-CD1 3.71Å; L119-L160 CarbonylContact O-C 3.52Å; L119-L160 WeakPolarHBondContact O-CA 3.32Å; L119-I161 PolarHBondContact O-N 2.91Å
120V98.6Very high96.9Very high0 Ų045.3 Ų45.30%023%0.232CC..EExtended strand (participates in β ladder)trans-123.9136.4178.4-61.50000110.1G106 L108 I118 F122 I161 F249 Y256G106-V120 PolarHBondContact N-O 3.5Å; G106-V120 PolarHBondContact O-N 2.91Å; L108-V120 HydrophobicContact CD1-CG1 4.24Å; L108-V120 HydrophobicContact CD2-CG1 4Å; L108-V120 HydrophobicContact CD2-CG2 4.18Å; L108-V120 HydrophobicContact CG-CG1 4.02Å; I118-V120 HydrophobicContact CG2-CG1 4.23Å; V120-F122 HydrophobicContact CB-CE2 4.18Å; V120-F122 HydrophobicContact CG2-CD2 4.49Å; V120-F122 HydrophobicContact CG2-CE2 3.74Å; V120-F122 HydrophobicContact CG2-CZ 4.46Å; V120-I161 CarbonylContact C-O 3.57Å; V120-I161 VanDerWaalsContact CA-O 3.29Å; V120-I161 WeakPolarHBondContact CA-O 3.31Å; V120-I161 HydrophobicContact CG1-CB 4.32Å; V120-F249 HydrophobicContact CB-CE2 4.04Å; V120-F249 HydrophobicContact CB-CZ 4.02Å; V120-F249 HydrophobicContact CG1-CE2 3.61Å; V120-F249 HydrophobicContact CG1-CZ 3.92Å; V120-Y256 HydrophobicContact CG2-CD1 4.14Å; V120-Y256 HydrophobicContact CG2-CE1 4.11Å; V120-Y256 HydrophobicContact CG2-CG 4.43Å
121L98.4Very high96.9Very high18 Ų1842.3 Ų42.39%0.09422%0.215CC..EExtended strand (participates in β ladder)trans-123.1122.8172.1-52-177.6000108.8F104 P105 I140 L160 I161 I162 D163F104-L121 HydrophobicContact CD1-CB 4.38Å; F104-L121 HydrophobicContact CD1-CD2 4.17Å; F104-L121 HydrophobicContact CE1-CB 4.4Å; P105-L121 HydrophobicContact CB-CD2 3.61Å; L121-I140 HydrophobicContact CD1-CD1 4.13Å; L121-I140 HydrophobicContact CD2-CD1 4.14Å; L121-I140 HydrophobicContact CD2-CG1 4.44Å; L121-L160 HydrophobicContact CD1-CD1 4.1Å; L121-L160 HydrophobicContact CD1-CD2 4.45Å; L121-L160 HydrophobicContact CD2-CD1 4.46Å; L121-L160 HydrophobicContact CG-CD1 3.86Å; L121-I161 PolarHBondContact N-O 3.24Å; L121-I162 HydrophobicContact CB-CG1 4.47Å; L121-I162 HydrophobicContact CB-CG2 4.18Å; L121-I162 HydrophobicContact CD1-CD1 4.35Å; L121-I162 HydrophobicContact CD1-CG1 4.17Å; L121-I162 HydrophobicContact CG-CG1 4.49Å; L121-I162 CarbonylContact O-C 3.56Å; L121-I162 WeakPolarHBondContact O-CA 3.34Å; L121-D163 PolarHBondContact O-N 3.17Å
122F97.9Very high96.8Very high12 Ų1242.1 Ų42.15%0.05322%0.217CC..EExtended strand (participates in β ladder)trans-97.392.1172.9-63.8-89.2000108.6F104 V120 A124 N125 D163 E248 F249 Y256 M258F104-F122 WeakPolarHBondContact CZ-O 3.44Å; V120-F122 HydrophobicContact CB-CE2 4.18Å; V120-F122 HydrophobicContact CG2-CD2 4.49Å; V120-F122 HydrophobicContact CG2-CE2 3.74Å; V120-F122 HydrophobicContact CG2-CZ 4.46Å; F122-A124 PolarHBondContact O-N 3.35Å; F122-A124 VanDerWaalsContact O-N 3.08Å; F122-N125 WeakPolarHBondContact O-CB 3.49Å; F122-N125 PolarHBondContact O-N 2.91Å; F122-D163 HydrophobicContact CD1-CB 3.96Å; F122-D163 HydrophobicContact CE1-CB 4.44Å; F122-E248 HydrophobicContact CE1-CB 3.84Å; F122-E248 HydrophobicContact CE1-CG 3.9Å; F122-E248 HydrophobicContact CZ-CB 4.43Å; F122-E248 HydrophobicContact CZ-CG 4.42Å; F122-F249 HydrophobicContact CE1-CE2 4.06Å; F122-F249 AromaticContact CE1-CZ 3.77Å; F122-F249 HydrophobicContact CE1-CZ 3.77Å; F122-F249 HydrophobicContact CE2-CZ 4.46Å; F122-F249 AromaticContact CZ-CE2 3.68Å; F122-F249 HydrophobicContact CZ-CE2 3.68Å; F122-F249 AromaticContact CZ-CZ 3.73Å; F122-F249 HydrophobicContact CZ-CZ 3.73Å; F122-Y256 AromaticContact CE2-CD1 3.84Å; F122-Y256 HydrophobicContact CE2-CD1 3.84Å; F122-Y256 HydrophobicContact CE2-CG 4.32Å; F122-M258 HydrophobicContact CB-CE 4.32Å; F122-M258 HydrophobicContact CD1-CE 4.07Å; F122-M258 HydrophobicContact CD2-CE 3.33Å; F122-M258 HydrophobicContact CD2-SD 3.37Å; F122-M258 WeakPolarHBondContact CD2-SD 3.27Å; F122-M258 HydrophobicContact CE1-CE 4.17Å; F122-M258 HydrophobicContact CE2-CE 3.45Å; F122-M258 VanDerWaalsContact CE2-CE 3.45Å; F122-M258 HydrophobicContact CE2-SD 3.66Å; F122-M258 HydrophobicContact CG-CE 3.64Å; F122-M258 HydrophobicContact CG-SD 4.15Å; F122-M258 HydrophobicContact CZ-CE 3.87Å
123A97Very high96.7Very high11 Ų1143.2 Ų43.29%0.09122%0.223CC..G310 helixtrans-58.4-32.1-165.800000113.3N125 W126 D163 F167A123-N125 PolarHBondContact O-N 3Å; A123-W126 WeakPolarHBondContact O-CB 3.4Å; A123-W126 PolarHBondContact O-N 3.27Å; A123-D163 VanDerWaalsContact CB-O 3.24Å; A123-D163 WeakPolarHBondContact CB-O 3.48Å; A123-D163 PolarHBondContact N-O 2.85Å; A123-F167 HydrophobicContact CB-CB 4.04Å; A123-F167 HydrophobicContact CB-CD2 3.61Å; A123-F167 HydrophobicContact CB-CE2 4.13Å; A123-F167 HydrophobicContact CB-CG 3.85Å; A123-F167 VanDerWaalsContact O-CD2 3.3Å; A123-F167 WeakPolarHBondContact O-CD2 3.31Å
124A96.7Very high96.7Very high33 Ų3341.6 Ų41.627%0.27322%0.219SC..G310 helixtrans-62.3-25.5177.600000114.1F122 W126 S165 N166 Q171F122-A124 PolarHBondContact O-N 3.35Å; F122-A124 VanDerWaalsContact O-N 3.08Å; A124-W126 PolarHBondContact O-N 2.89Å; A124-W126 VanDerWaalsContact O-N 3.15Å; A124-S165 VanDerWaalsContact CB-O 3.25Å; A124-S165 WeakPolarHBondContact CB-O 3.27Å; A124-N166 HydrophobicContact CB-CB 3.98Å; A124-Q171 PolarHBondContact O-NE2 2.77Å
125N96.9Very high96.8Very high60 Ų6036.5 Ų36.532%0.32120%0.2SC..G310 helixtrans-67.7-12.1179.1-66.92.4000112.8D102 F104 F122 A123 D127 Y131D102-N125 HydrophobicContact CB-CB 4.49Å; D102-N125 WeakPolarHBondContact O-CB 3.49Å; D102-N125 PolarHBondContact O-ND2 3.21Å; F104-N125 HydrophobicContact CE2-CB 3.65Å; F104-N125 HydrophobicContact CZ-CB 3.89Å; F122-N125 WeakPolarHBondContact O-CB 3.49Å; F122-N125 PolarHBondContact O-N 2.91Å; A123-N125 PolarHBondContact O-N 3Å; N125-D127 PolarHBondContact O-N 3.36Å; N125-Y131 PolarHBondContact O-OH 3.47Å
126W97.3Very high96.8Very high14 Ų1436 Ų365%0.05319%0.193CC..  trans-7099.9-179.2178.628.6000111.8F104 A123 A124 Q128 Y131 L133 I136 F167 Q171 K174 L175F104-W126 HydrophobicContact CE2-CB 4.12Å; F104-W126 HydrophobicContact CZ-CB 3.87Å; A123-W126 WeakPolarHBondContact O-CB 3.4Å; A123-W126 PolarHBondContact O-N 3.27Å; A124-W126 PolarHBondContact O-N 2.89Å; A124-W126 VanDerWaalsContact O-N 3.15Å; W126-Q128 HydrophobicContact CD2-CG 3.78Å; W126-Q128 VanDerWaalsContact CE2-CG 3.42Å; W126-Q128 HydrophobicContact CE3-CG 4.2Å; W126-Q128 HydrophobicContact CG-CG 4.32Å; W126-Q128 HydrophobicContact CH2-CG 4.02Å; W126-Q128 HydrophobicContact CZ2-CG 3.57Å; W126-Q128 HydrophobicContact CZ3-CG 4.31Å; W126-Q128 PolarHBondContact O-N 3.47Å; W126-Y131 AromaticContact CD1-CE2 3.79Å; W126-Y131 PolarHBondContact NE1-O 2.79Å; W126-L133 HydrophobicContact CH2-CB 4.1Å; W126-L133 HydrophobicContact CH2-CD1 4.29Å; W126-L133 HydrophobicContact CZ2-CB 3.85Å; W126-L133 HydrophobicContact CZ2-CD1 4.42Å; W126-L133 HydrophobicContact CZ3-CD1 4.36Å; W126-I136 HydrophobicContact CB-CD1 4.09Å; W126-I136 HydrophobicContact CD2-CD1 4.05Å; W126-I136 HydrophobicContact CG-CD1 3.62Å; W126-F167 HydrophobicContact CE3-CE2 4.06Å; W126-F167 HydrophobicContact CE3-CZ 4.32Å; W126-F167 HydrophobicContact CZ3-CZ 4.45Å; W126-Q171 PolarHBondContact O-NE2 3.13Å; W126-K174 HydrophobicContact CH2-CB 4.09Å; W126-L175 HydrophobicContact CH2-CD2 4.02Å; W126-L175 HydrophobicContact CZ3-CD2 3.62Å; W126-L175 HydrophobicContact CZ3-CG 4.38Å
127D94.6Very high96.8Very high67 Ų6734.9 Ų34.936%0.35819%0.189SC..  trans-87.599169.5-171.9-10000111.2N125 S129 R130 Y131N125-D127 PolarHBondContact O-N 3.36Å; D127-S129 VanDerWaalsContact CG-OG 3.28Å; D127-S129 PolarHBondContact O-N 3.1Å; D127-S129 VanDerWaalsContact O-N 3.09Å; D127-S129 WeakPolarHBondContact OD1-CB 3.49Å; D127-S129 PolarHBondContact OD1-N 2.9Å; D127-S129 PolarHBondContact OD1-OG 3.01Å; D127-S129 PolarHBondContact OD2-OG 3.36Å; D127-R130 HydrophobicContact CB-CB 4.41Å; D127-R130 HydrophobicContact CB-CG 4.18Å; D127-R130 PolarHBondContact O-N 3.22Å; D127-R130 WeakPolarHBondContact OD2-CD 3.31Å; D127-R130 WeakPolarHBondContact OD2-CG 3.33Å; D127-Y131 PolarHBondContact O-N 3.14Å
128Q92.4Very high96.8Very high58 Ų5834 Ų3427%0.27119%0.185SC..THydrogen-bonded Turntrans-62.9-14.4-179.6-66.5176-700114.5W126 Q171 K174W126-Q128 HydrophobicContact CD2-CG 3.78Å; W126-Q128 VanDerWaalsContact CE2-CG 3.42Å; W126-Q128 HydrophobicContact CE3-CG 4.2Å; W126-Q128 HydrophobicContact CG-CG 4.32Å; W126-Q128 HydrophobicContact CH2-CG 4.02Å; W126-Q128 HydrophobicContact CZ2-CG 3.57Å; W126-Q128 HydrophobicContact CZ3-CG 4.31Å; W126-Q128 PolarHBondContact O-N 3.47Å; Q128-Q171 PolarHBondContact NE2-O 2.67Å; Q128-K174 VanDerWaalsContact OE1-CG 3.22Å
129S93.9Very high96.8Very high103 Ų10334 Ų3472%0.7219%0.185SC*.THydrogen-bonded Turntrans-81.6-18175.272.90000112.9D127D127-S129 VanDerWaalsContact CG-OG 3.28Å; D127-S129 PolarHBondContact O-N 3.1Å; D127-S129 VanDerWaalsContact O-N 3.09Å; D127-S129 WeakPolarHBondContact OD1-CB 3.49Å; D127-S129 PolarHBondContact OD1-N 2.9Å; D127-S129 PolarHBondContact OD1-OG 3.01Å; D127-S129 PolarHBondContact OD2-OG 3.36Å
130R95.3Very high96.8Very high131 Ų13134.9 Ų34.949%0.49419%0.189SC..THydrogen-bonded Turntrans-103.8-37.3-173.1-61.6-178.972.2-155.52.6112.8Q98 D102 D127Q98-R130 VanDerWaalsContact CD-NH1 3.33Å; Q98-R130 VanDerWaalsContact NE2-CZ 3.3Å; Q98-R130 VanDerWaalsContact NE2-NH2 3.2Å; D102-R130 IonicContact OD1-NH1 2.6Å; D102-R130 IonicContact OD2-NH1 3.68Å; D127-R130 HydrophobicContact CB-CB 4.41Å; D127-R130 HydrophobicContact CB-CG 4.18Å; D127-R130 PolarHBondContact O-N 3.22Å; D127-R130 WeakPolarHBondContact OD2-CD 3.31Å; D127-R130 WeakPolarHBondContact OD2-CG 3.33Å
131Y96.3Very high96.7Very high8 Ų835 Ų353%0.03119%0.19CC..  trans-158.1162.2-179.559.3-80.8000111.9Q98 A99 D102 F104 N125 W126 D127 D135 I136Q98-Y131 HydrophobicContact CB-CD1 4.06Å; Q98-Y131 HydrophobicContact CG-CD1 3.67Å; Q98-Y131 HydrophobicContact CG-CE1 3.9Å; A99-Y131 HydrophobicContact CB-CD2 3.82Å; A99-Y131 HydrophobicContact CB-CE2 3.71Å; D102-Y131 WeakPolarHBondContact CB-OH 3.48Å; D102-Y131 WeakPolarHBondContact OD2-CE1 3.17Å; D102-Y131 PolarHBondContact OD2-OH 2.77Å; F104-Y131 HydrophobicContact CD2-CE2 4.31Å; F104-Y131 VanDerWaalsContact CD2-OH 3.3Å; F104-Y131 WeakPolarHBondContact CD2-OH 3.39Å; F104-Y131 WeakPolarHBondContact CE2-OH 3.13Å; N125-Y131 PolarHBondContact O-OH 3.47Å; W126-Y131 AromaticContact CD1-CE2 3.79Å; W126-Y131 PolarHBondContact NE1-O 2.79Å; D127-Y131 PolarHBondContact O-N 3.14Å; Y131-D135 HydrophobicContact CD2-CB 4.33Å; Y131-I136 HydrophobicContact CD2-CD1 4.42Å; Y131-I136 HydrophobicContact CD2-CG1 3.93Å; Y131-I136 HydrophobicContact CE2-CD1 3.77Å; Y131-I136 HydrophobicContact CE2-CG1 3.48Å; Y131-I136 VanDerWaalsContact CE2-CG1 3.48Å
132T95.9Very high96.7Very high71 Ų7135.4 Ų35.444%0.43619%0.192SC..  trans-92.8166.8-173.571.90000112.3V134 D135 I136T132-V134 PolarHBondContact O-N 3.13Å; T132-V134 PolarHBondContact OG1-N 2.8Å; T132-D135 WeakPolarHBondContact CB-OD2 3.24Å; T132-D135 PolarHBondContact N-OD2 3.07Å; T132-D135 WeakPolarHBondContact O-CB 3.34Å; T132-D135 PolarHBondContact O-N 3.26Å; T132-D135 VanDerWaalsContact O-N 3.13Å; T132-D135 VanDerWaalsContact OG1-CG 3.31Å; T132-D135 PolarHBondContact OG1-N 3.14Å; T132-D135 VanDerWaalsContact OG1-N 3.11Å; T132-D135 PolarHBondContact OG1-OD2 3.22Å; T132-I136 PolarHBondContact O-N 3.35Å
133L95.5Very high96.7Very high31 Ų3134.9 Ų34.916%0.16219%0.19CC..Hα-helixtrans-63.4-27.5168.9-16769000111.9W126 D135 I136 L137 L175 M179W126-L133 HydrophobicContact CH2-CB 4.1Å; W126-L133 HydrophobicContact CH2-CD1 4.29Å; W126-L133 HydrophobicContact CZ2-CB 3.85Å; W126-L133 HydrophobicContact CZ2-CD1 4.42Å; W126-L133 HydrophobicContact CZ3-CD1 4.36Å; L133-D135 VanDerWaalsContact C-N 3.29Å; L133-I136 HydrophobicContact CD1-CB 4.45Å; L133-I136 HydrophobicContact CD1-CD1 4.04Å; L133-I136 WeakPolarHBondContact O-CB 3.47Å; L133-I136 PolarHBondContact O-N 3.05Å; L133-L137 PolarHBondContact O-N 3.24Å; L133-L175 HydrophobicContact CD1-CD2 4.11Å; L133-L175 HydrophobicContact CD2-CD2 3.59Å; L133-L175 HydrophobicContact CG-CD2 4.47Å; L133-M179 HydrophobicContact CB-CE 3.35Å; L133-M179 HydrophobicContact CD2-CB 4.07Å; L133-M179 HydrophobicContact CD2-CE 3.76Å; L133-M179 HydrophobicContact CG-CE 4.19Å
134V96.4Very high96.8Very high43 Ų4334.3 Ų34.326%0.26119%0.185SC..Hα-helixtrans-66.9-36.9175.1178.10000109.7M85 T132 L137 R138 L182M85-V134 HydrophobicContact CB-CG1 4.26Å; M85-V134 HydrophobicContact CG-CG1 3.73Å; M85-V134 HydrophobicContact SD-CG1 4.03Å; T132-V134 PolarHBondContact O-N 3.13Å; T132-V134 PolarHBondContact OG1-N 2.8Å; V134-L137 PolarHBondContact O-N 3.39Å; V134-R138 HydrophobicContact CG1-CG 4.45Å; V134-R138 WeakPolarHBondContact O-CB 3.46Å; V134-R138 VanDerWaalsContact O-CG 3.23Å; V134-R138 WeakPolarHBondContact O-CG 3.34Å; V134-R138 PolarHBondContact O-N 3.22Å; V134-L182 HydrophobicContact CG2-CD2 4.4Å
135D97.6Very high96.9Very high22 Ų2234.1 Ų34.112%0.11818%0.179CC..Hα-helixtrans-66-38.5173.5-59-54.1000112.2Y131 T132 L133 R138 A139Y131-D135 HydrophobicContact CD2-CB 4.33Å; T132-D135 WeakPolarHBondContact CB-OD2 3.24Å; T132-D135 PolarHBondContact N-OD2 3.07Å; T132-D135 WeakPolarHBondContact O-CB 3.34Å; T132-D135 PolarHBondContact O-N 3.26Å; T132-D135 VanDerWaalsContact O-N 3.13Å; T132-D135 VanDerWaalsContact OG1-CG 3.31Å; T132-D135 PolarHBondContact OG1-N 3.14Å; T132-D135 VanDerWaalsContact OG1-N 3.11Å; T132-D135 PolarHBondContact OG1-OD2 3.22Å; L133-D135 VanDerWaalsContact C-N 3.29Å; D135-R138 PolarHBondContact O-N 2.92Å; D135-R138 IonicContact OD1-NH1 2.67Å; D135-R138 PolarHBondContact OD1-NH1 3.39Å; D135-A139 WeakPolarHBondContact O-CB 3.33Å; D135-A139 PolarHBondContact O-N 2.84Å
136I98.1Very high96.9Very high9 Ų933 Ų335%0.04618%0.178CC..Hα-helixtrans-58.3-48.6169.9-69.8171.1000110.6A99 F104 W126 Y131 T132 L133 R138 A139 I140A99-I136 HydrophobicContact CB-CG1 4.31Å; F104-I136 HydrophobicContact CB-CG1 4.13Å; F104-I136 HydrophobicContact CB-CG2 4.07Å; F104-I136 HydrophobicContact CD1-CD1 4.25Å; F104-I136 HydrophobicContact CD1-CG1 4.43Å; F104-I136 HydrophobicContact CD1-CG2 4.1Å; F104-I136 HydrophobicContact CD2-CD1 4.33Å; F104-I136 HydrophobicContact CD2-CG1 4.34Å; F104-I136 HydrophobicContact CE1-CD1 4.41Å; F104-I136 HydrophobicContact CE2-CD1 4.46Å; F104-I136 HydrophobicContact CG-CD1 4.21Å; F104-I136 HydrophobicContact CG-CG1 4.05Å; F104-I136 HydrophobicContact CG-CG2 4.27Å; F104-I136 HydrophobicContact CZ-CD1 4.5Å; W126-I136 HydrophobicContact CB-CD1 4.09Å; W126-I136 HydrophobicContact CD2-CD1 4.05Å; W126-I136 HydrophobicContact CG-CD1 3.62Å; Y131-I136 HydrophobicContact CD2-CD1 4.42Å; Y131-I136 HydrophobicContact CD2-CG1 3.93Å; Y131-I136 HydrophobicContact CE2-CD1 3.77Å; Y131-I136 HydrophobicContact CE2-CG1 3.48Å; Y131-I136 VanDerWaalsContact CE2-CG1 3.48Å; T132-I136 PolarHBondContact O-N 3.35Å; L133-I136 HydrophobicContact CD1-CB 4.45Å; L133-I136 HydrophobicContact CD1-CD1 4.04Å; L133-I136 WeakPolarHBondContact O-CB 3.47Å; L133-I136 PolarHBondContact O-N 3.05Å; I136-R138 VanDerWaalsContact C-N 3.32Å; I136-R138 PolarHBondContact O-N 3.06Å; I136-A139 PolarHBondContact O-N 3.07Å; I136-I140 HydrophobicContact CG2-CD1 3.78Å; I136-I140 HydrophobicContact CG2-CG1 4.42Å; I136-I140 VanDerWaalsContact O-CG1 3.31Å; I136-I140 WeakPolarHBondContact O-CG1 3.2Å; I136-I140 PolarHBondContact O-N 3.21Å
137L97.9Very high96.9Very high8 Ų832.8 Ų32.84%0.04218%0.178CC..Hα-helixtrans-61.6-42.1178.4177.160.4000111.4M85 L133 V134 I140 L141 L182 A183 L187M85-L137 HydrophobicContact SD-CD2 3.82Å; M85-L137 HydrophobicContact SD-CG 4.3Å; L133-L137 PolarHBondContact O-N 3.24Å; V134-L137 PolarHBondContact O-N 3.39Å; L137-I140 PolarHBondContact O-N 3.24Å; L137-L141 HydrophobicContact CD1-CD1 4.13Å; L137-L141 HydrophobicContact CD1-CG 4.1Å; L137-L141 HydrophobicContact CG-CD1 4.04Å; L137-L141 HydrophobicContact CG-CG 4.44Å; L137-L141 WeakPolarHBondContact O-CB 3.42Å; L137-L141 WeakPolarHBondContact O-CG 3.47Å; L137-L141 PolarHBondContact O-N 2.76Å; L137-L182 HydrophobicContact CD2-CD2 4.21Å; L137-L182 HydrophobicContact CD2-CG 3.97Å; L137-A183 HydrophobicContact CD1-CB 4Å; L137-A183 HydrophobicContact CD2-CB 4.06Å; L137-L187 HydrophobicContact CD1-CG 4.37Å
138R98.1Very high97Very high15 Ų1529.7 Ų29.76%0.05716%0.161CC..Hα-helixtrans-59.6-46.5175.7-71.8165.781.9-142.30.4110.8M85 K87 F89 D93 I96 V134 D135 I136 I140 L141 L142M85-R138 HydrophobicContact CG-CG 3.4Å; M85-R138 VanDerWaalsContact O-CD 3.31Å; M85-R138 WeakPolarHBondContact O-CD 3.3Å; M85-R138 WeakPolarHBondContact O-CG 3.41Å; M85-R138 PolarHBondContact O-NE 2.86Å; M85-R138 HydrophobicContact SD-CG 4.36Å; K87-R138 PolarHBondContact O-NH2 3.25Å; F89-R138 HydrophobicContact CD2-CB 4.3Å; F89-R138 HydrophobicContact CD2-CG 4.43Å; F89-R138 HydrophobicContact CE2-CB 3.92Å; F89-R138 HydrophobicContact CE2-CG 4.3Å; F89-R138 VanDerWaalsContact CE2-O 3.28Å; F89-R138 WeakPolarHBondContact CE2-O 3.34Å; D93-R138 VanDerWaalsContact CG-NH1 3.27Å; D93-R138 VanDerWaalsContact CG-NH2 3.3Å; D93-R138 IonicContact OD1-CZ 3.56Å; D93-R138 IonicContact OD1-NH1 3.31Å; D93-R138 PolarHBondContact OD1-NH1 2.65Å; D93-R138 IonicContact OD1-NH2 3.3Å; D93-R138 IonicContact OD2-CZ 3.84Å; D93-R138 IonicContact OD2-NH1 3.73Å; D93-R138 PolarHBondContact OD2-NH1 3.14Å; D93-R138 IonicContact OD2-NH2 3.98Å; D93-R138 PolarHBondContact OD2-NH2 2.96Å; I96-R138 HydrophobicContact CD1-CB 3.72Å; I96-R138 HydrophobicContact CG1-CB 3.74Å; V134-R138 HydrophobicContact CG1-CG 4.45Å; V134-R138 WeakPolarHBondContact O-CB 3.46Å; V134-R138 VanDerWaalsContact O-CG 3.23Å; V134-R138 WeakPolarHBondContact O-CG 3.34Å; V134-R138 PolarHBondContact O-N 3.22Å; D135-R138 PolarHBondContact O-N 2.92Å; D135-R138 IonicContact OD1-NH1 2.67Å; D135-R138 PolarHBondContact OD1-NH1 3.39Å; I136-R138 VanDerWaalsContact C-N 3.32Å; I136-R138 PolarHBondContact O-N 3.06Å; R138-I140 PolarHBondContact O-N 3.03Å; R138-L141 PolarHBondContact O-N 3.5Å; R138-L142 WeakPolarHBondContact O-CB 3.5Å; R138-L142 PolarHBondContact O-N 2.76Å
139A98.4Very high97.1Very high0 Ų033 Ų330%018%0.176CC..Hα-helixtrans-62.6-40.6177.200000112.8I96 A99 L100 F104 D135 I136 L142 S143I96-A139 HydrophobicContact CG2-CB 4Å; A99-A139 HydrophobicContact CB-CB 3.94Å; L100-A139 HydrophobicContact CD2-CB 4.03Å; L100-A139 HydrophobicContact CG-CB 4.04Å; F104-A139 WeakPolarHBondContact O-CB 3.32Å; D135-A139 WeakPolarHBondContact O-CB 3.33Å; D135-A139 PolarHBondContact O-N 2.84Å; I136-A139 PolarHBondContact O-N 3.07Å; A139-L142 PolarHBondContact O-N 2.89Å; A139-S143 VanDerWaalsContact O-CB 3.31Å; A139-S143 WeakPolarHBondContact O-CB 3.13Å; A139-S143 PolarHBondContact O-N 2.86Å; A139-S143 PolarHBondContact O-OG 3.45Å
140I98.6Very high97.2Very high18 Ų1831.5 Ų31.59%0.09216%0.16CC..Hα-helixtrans-63.8-48.7174.6-66.9168.5000110.9P105 L121 I136 L137 R138 L142 S143 L144 L187P105-I140 HydrophobicContact CB-CG1 4.22Å; P105-I140 HydrophobicContact CG-CG1 4.11Å; L121-I140 HydrophobicContact CD1-CD1 4.13Å; L121-I140 HydrophobicContact CD2-CD1 4.14Å; L121-I140 HydrophobicContact CD2-CG1 4.44Å; I136-I140 HydrophobicContact CG2-CD1 3.78Å; I136-I140 HydrophobicContact CG2-CG1 4.42Å; I136-I140 VanDerWaalsContact O-CG1 3.31Å; I136-I140 WeakPolarHBondContact O-CG1 3.2Å; I136-I140 PolarHBondContact O-N 3.21Å; L137-I140 PolarHBondContact O-N 3.24Å; R138-I140 PolarHBondContact O-N 3.03Å; I140-L142 VanDerWaalsContact C-N 3.33Å; I140-L142 PolarHBondContact O-N 2.98Å; I140-S143 PolarHBondContact O-N 2.82Å; I140-L144 HydrophobicContact CG2-CD1 3.91Å; I140-L144 HydrophobicContact CG2-CG 4.39Å; I140-L144 WeakPolarHBondContact O-CB 3.48Å; I140-L144 VanDerWaalsContact O-CG 3.32Å; I140-L144 WeakPolarHBondContact O-CG 3.18Å; I140-L144 PolarHBondContact O-N 2.91Å; I140-L187 HydrophobicContact CG2-CD2 3.91Å
141L98.4Very high97.3Very high2 Ų226.4 Ų26.41%0.0114%0.144CC..Hα-helixtrans-61.5-42.6178.9-71.5172.5000111.2Y78 M85 F86 F89 L137 R138 S143 L144 E145 L187 F191Y78-L141 HydrophobicContact CE1-CD1 4.4Å; M85-L141 HydrophobicContact CE-CD1 4.13Å; F86-L141 HydrophobicContact CE1-CD1 4.26Å; F86-L141 HydrophobicContact CZ-CD1 4.08Å; F89-L141 HydrophobicContact CE2-CB 4.42Å; F89-L141 HydrophobicContact CZ-CB 3.85Å; L137-L141 HydrophobicContact CD1-CD1 4.13Å; L137-L141 HydrophobicContact CD1-CG 4.1Å; L137-L141 HydrophobicContact CG-CD1 4.04Å; L137-L141 HydrophobicContact CG-CG 4.44Å; L137-L141 WeakPolarHBondContact O-CB 3.42Å; L137-L141 WeakPolarHBondContact O-CG 3.47Å; L137-L141 PolarHBondContact O-N 2.76Å; R138-L141 PolarHBondContact O-N 3.5Å; L141-S143 VanDerWaalsContact C-N 3.35Å; L141-S143 PolarHBondContact O-N 2.9Å; L141-L144 PolarHBondContact O-N 2.89Å; L141-E145 WeakPolarHBondContact O-CG 3.42Å; L141-E145 PolarHBondContact O-N 2.62Å; L141-L187 HydrophobicContact CD2-CD2 4.01Å; L141-F191 HydrophobicContact CD2-CD2 3.98Å
142L97.9Very high97.3Very high28 Ų2827.6 Ų27.615%0.14715%0.15CC..Hα-helixtrans-64.1-41.9177.9-173.269.9000111.4F89 A91 I96 R138 A139 I140 L144 E145 A146F89-L142 HydrophobicContact CD1-CD1 4.04Å; F89-L142 HydrophobicContact CE1-CB 4.19Å; F89-L142 HydrophobicContact CE1-CD1 3.76Å; F89-L142 HydrophobicContact CE2-CB 4.24Å; F89-L142 HydrophobicContact CZ-CB 3.76Å; F89-L142 HydrophobicContact CZ-CD1 4.2Å; A91-L142 HydrophobicContact CB-CD2 3.85Å; A91-L142 VanDerWaalsContact N-CD2 3.35Å; I96-L142 HydrophobicContact CG2-CD2 3.97Å; R138-L142 WeakPolarHBondContact O-CB 3.5Å; R138-L142 PolarHBondContact O-N 2.76Å; A139-L142 PolarHBondContact O-N 2.89Å; I140-L142 VanDerWaalsContact C-N 3.33Å; I140-L142 PolarHBondContact O-N 2.98Å; L142-L144 VanDerWaalsContact C-N 3.35Å; L142-E145 PolarHBondContact O-N 2.63Å; L142-A146 PolarHBondContact O-N 2.86Å; L142-A146 VanDerWaalsContact O-N 3.11Å
143S98.4Very high97.4Very high0 Ų024.6 Ų24.60%013%0.131CC..Hα-helixtrans-62.8-43176.3-60.10000111.7P105 A139 I140 L141 A146 M147 W261P105-S143 WeakPolarHBondContact CD-OG 3.33Å; A139-S143 VanDerWaalsContact O-CB 3.31Å; A139-S143 WeakPolarHBondContact O-CB 3.13Å; A139-S143 PolarHBondContact O-N 2.86Å; A139-S143 PolarHBondContact O-OG 3.45Å; I140-S143 PolarHBondContact O-N 2.82Å; L141-S143 VanDerWaalsContact C-N 3.35Å; L141-S143 PolarHBondContact O-N 2.9Å; S143-A146 PolarHBondContact O-N 3.02Å; S143-M147 WeakPolarHBondContact O-CB 3.32Å; S143-M147 VanDerWaalsContact O-CG 3.26Å; S143-M147 WeakPolarHBondContact O-CG 3.3Å; S143-M147 PolarHBondContact O-N 3.29Å; S143-W261 VanDerWaalsContact CB-NE1 3.29Å; S143-W261 PolarHBondContact OG-NE1 3.07Å
144L98.4Very high97.6Very high0 Ų023.8 Ų23.80%013%0.127CC..Hα-helixtrans-65.9-38.6176.3-72170.6000111.9L119 I140 L141 L142 A146 M147 I148 F158 L187 F191 F195L119-L144 HydrophobicContact CD1-CD2 3.75Å; L119-L144 HydrophobicContact CD1-CG 4.46Å; I140-L144 HydrophobicContact CG2-CD1 3.91Å; I140-L144 HydrophobicContact CG2-CG 4.39Å; I140-L144 WeakPolarHBondContact O-CB 3.48Å; I140-L144 VanDerWaalsContact O-CG 3.32Å; I140-L144 WeakPolarHBondContact O-CG 3.18Å; I140-L144 PolarHBondContact O-N 2.91Å; L141-L144 PolarHBondContact O-N 2.89Å; L142-L144 VanDerWaalsContact C-N 3.35Å; L144-A146 VanDerWaalsContact C-N 3.31Å; L144-A146 PolarHBondContact O-N 3.31Å; L144-M147 PolarHBondContact O-N 3.01Å; L144-I148 VanDerWaalsContact O-CB 3.31Å; L144-I148 WeakPolarHBondContact O-CB 3.36Å; L144-I148 VanDerWaalsContact O-CG2 3.27Å; L144-I148 WeakPolarHBondContact O-CG2 3.32Å; L144-I148 PolarHBondContact O-N 3.35Å; L144-F158 HydrophobicContact CD2-CD1 3.92Å; L144-F158 HydrophobicContact CD2-CD2 4.42Å; L144-F158 HydrophobicContact CD2-CE1 3.86Å; L144-F158 HydrophobicContact CD2-CE2 4.37Å; L144-F158 HydrophobicContact CD2-CG 4.22Å; L144-F158 HydrophobicContact CD2-CZ 4.1Å; L144-L187 HydrophobicContact CD1-CD2 3.52Å; L144-F191 VanDerWaalsContact C-CZ 3.46Å; L144-F191 HydrophobicContact CB-CD1 4.4Å; L144-F191 HydrophobicContact CB-CE1 3.64Å; L144-F191 HydrophobicContact CB-CE2 3.91Å; L144-F191 HydrophobicContact CB-CZ 3.38Å; L144-F191 HydrophobicContact CD1-CD1 4.41Å; L144-F191 HydrophobicContact CD1-CE1 4.41Å; L144-F191 HydrophobicContact CG-CE1 4.49Å; L144-F195 HydrophobicContact CD1-CZ 4.09Å; L144-F195 HydrophobicContact CD2-CZ 4.33Å
145E97.6Very high97.6Very high29 Ų2921.8 Ų21.814%0.13611%0.114CC..Hα-helixtrans-58.8-42.9174.3-74.4-61.9162.500111.6R56 Y75 R79 L141 L142 E149 F191R56-E145 IonicContact NH1-OE2 3.97Å; Y75-E145 WeakPolarHBondContact CE2-OE1 3.45Å; Y75-E145 PolarHBondContact OH-OE1 3.29Å; R79-E145 IonicContact CZ-OE1 2.86Å; R79-E145 IonicContact NH2-OE1 3.67Å; R79-E145 PolarHBondContact NH2-OE1 3.42Å; L141-E145 WeakPolarHBondContact O-CG 3.42Å; L141-E145 PolarHBondContact O-N 2.62Å; L142-E145 PolarHBondContact O-N 2.63Å; E145-E149 WeakPolarHBondContact O-CG 3.24Å; E145-F191 HydrophobicContact CG-CE2 3.93Å; E145-F191 HydrophobicContact CG-CZ 4.45Å; E145-F191 WeakPolarHBondContact OE1-CE2 3.44Å
146A97.4Very high97.7Very high36 Ų3621.2 Ų21.230%0.29811%0.111SC..Hα-helixtrans-69.2-44.1177.100000112.1L142 S143 L144 I148 E149 W261 L265L142-A146 PolarHBondContact O-N 2.86Å; L142-A146 VanDerWaalsContact O-N 3.11Å; S143-A146 PolarHBondContact O-N 3.02Å; L144-A146 VanDerWaalsContact C-N 3.31Å; L144-A146 PolarHBondContact O-N 3.31Å; A146-I148 PolarHBondContact O-N 3.44Å; A146-E149 WeakPolarHBondContact O-CB 3.41Å; A146-E149 WeakPolarHBondContact O-CG 3.46Å; A146-E149 PolarHBondContact O-N 3.3Å; A146-W261 HydrophobicContact CB-CZ2 4.48Å; A146-L265 HydrophobicContact CB-CD2 3.67Å
147M97.7Very high97.7Very high10 Ų1020.8 Ų20.85%0.04911%0.109CC..Hα-helixtrans-68-36.8-178.8-69.9-179.4-171.500112.6K117 L119 S143 L144 E149 D150 L153 F158 W261K117-M147 HydrophobicContact CG-SD 3.76Å; L119-M147 HydrophobicContact CD2-CE 3.56Å; L119-M147 HydrophobicContact CD2-SD 3.67Å; S143-M147 WeakPolarHBondContact O-CB 3.32Å; S143-M147 VanDerWaalsContact O-CG 3.26Å; S143-M147 WeakPolarHBondContact O-CG 3.3Å; S143-M147 PolarHBondContact O-N 3.29Å; L144-M147 PolarHBondContact O-N 3.01Å; M147-E149 PolarHBondContact O-N 2.89Å; M147-D150 WeakPolarHBondContact O-CB 3.46Å; M147-D150 PolarHBondContact O-N 3.32Å; M147-L153 HydrophobicContact CB-CD1 4.02Å; M147-L153 WeakPolarHBondContact O-CD1 3.37Å; M147-F158 HydrophobicContact CB-CE1 3.79Å; M147-F158 HydrophobicContact CB-CZ 4.02Å; M147-F158 HydrophobicContact CG-CE1 4.5Å; M147-F158 HydrophobicContact SD-CE1 3.9Å; M147-W261 HydrophobicContact CE-CD2 3.68Å; M147-W261 VanDerWaalsContact CE-CE2 3.4Å; M147-W261 HydrophobicContact CE-CE3 3.83Å; M147-W261 HydrophobicContact CE-CG 4.49Å; M147-W261 HydrophobicContact CE-CH2 3.51Å; M147-W261 HydrophobicContact CE-CZ2 3.32Å; M147-W261 HydrophobicContact CE-CZ3 3.75Å; M147-W261 HydrophobicContact CG-CH2 3.62Å; M147-W261 HydrophobicContact CG-CZ2 3.87Å; M147-W261 HydrophobicContact CG-CZ3 4.42Å; M147-W261 HydrophobicContact SD-CH2 4.44Å; M147-W261 HydrophobicContact SD-CZ2 4.41Å
148I96.6Very high97.7Very high1 Ų120.4 Ų20.41%0.00511%0.107CC..THydrogen-bonded Turntrans-75-3.8-177.1-156.9160.6000113.5L144 A146 D150 Q154 F191 P192L144-I148 VanDerWaalsContact O-CB 3.31Å; L144-I148 WeakPolarHBondContact O-CB 3.36Å; L144-I148 VanDerWaalsContact O-CG2 3.27Å; L144-I148 WeakPolarHBondContact O-CG2 3.32Å; L144-I148 PolarHBondContact O-N 3.35Å; A146-I148 PolarHBondContact O-N 3.44Å; I148-D150 PolarHBondContact O-N 2.92Å; I148-Q154 HydrophobicContact CD1-CG 4.47Å; I148-Q154 HydrophobicContact CG1-CG 3.62Å; I148-Q154 WeakPolarHBondContact O-CG 3.47Å; I148-Q154 PolarHBondContact O-NE2 3.02Å; I148-F191 HydrophobicContact CD1-CE1 3.89Å; I148-F191 HydrophobicContact CG2-CE1 4.43Å; I148-F191 HydrophobicContact CG2-CZ 4.08Å; I148-P192 HydrophobicContact CD1-CB 4.43Å; I148-P192 HydrophobicContact CD1-CG 4.11Å; I148-P192 WeakPolarHBondContact CD1-O 3.17Å
149E95Very high97.7Very high127 Ų12719.7 Ų19.759%0.59311%0.105SC*.THydrogen-bonded Turntrans-63.2-28.9167.4-57.1-158.8143.600111.7E145 A146 M147 P151E145-E149 WeakPolarHBondContact O-CG 3.24Å; A146-E149 WeakPolarHBondContact O-CB 3.41Å; A146-E149 WeakPolarHBondContact O-CG 3.46Å; A146-E149 PolarHBondContact O-N 3.3Å; M147-E149 PolarHBondContact O-N 2.89Å; E149-P151 WeakPolarHBondContact O-CD 3.35Å
150D96.2Very high97.7Very high73 Ų7320.7 Ų20.739%0.3911%0.11SC..SBendtrans-70.9115.7171.2-175.8-4.5000110.7M147 I148 E152 L153 Q154M147-D150 WeakPolarHBondContact O-CB 3.46Å; M147-D150 PolarHBondContact O-N 3.32Å; I148-D150 PolarHBondContact O-N 2.92Å; D150-E152 PolarHBondContact O-N 3.25Å; D150-E152 VanDerWaalsContact OD1-CB 3.29Å; D150-E152 WeakPolarHBondContact OD1-CB 3.5Å; D150-E152 PolarHBondContact OD1-N 2.99Å; D150-L153 HydrophobicContact CB-CB 4.4Å; D150-L153 HydrophobicContact CB-CD1 4.35Å; D150-L153 HydrophobicContact CB-CG 4.11Å; D150-L153 PolarHBondContact O-N 2.97Å; D150-L153 VanDerWaalsContact O-N 3.08Å; D150-Q154 PolarHBondContact O-N 3.23Å
151P96.4Very high97.7Very high24 Ų2419.8 Ų19.816%0.15611%0.105CC..Hα-helixtrans-63.4-26178.923.6-28.1000113L8 E149 L153 Q154 V155L8-P151 VanDerWaalsContact CD2-C 3.44Å; L8-P151 HydrophobicContact CD2-CB 3.73Å; L8-P151 HydrophobicContact CD2-CG 4.3Å; L8-P151 WeakPolarHBondContact CD2-O 3.46Å; L8-P151 HydrophobicContact CG-CB 4.23Å; E149-P151 WeakPolarHBondContact O-CD 3.35Å; P151-L153 VanDerWaalsContact C-N 3.27Å; P151-L153 PolarHBondContact O-N 2.86Å; P151-Q154 WeakPolarHBondContact O-CB 3.43Å; P151-Q154 PolarHBondContact O-N 3.49Å; P151-V155 PolarHBondContact O-N 3.49Å
152E97.5Very high97.7Very high32 Ų3220.7 Ų20.715%0.1511%0.11CC..Hα-helixtrans-59.2-41.8173-76.5-75.2167.500110.8L8 S9 T12 D150 V155 N156L8-E152 HydrophobicContact CD2-CG 4.45Å; S9-E152 WeakPolarHBondContact CB-OE1 3.24Å; S9-E152 PolarHBondContact N-OE1 3.3Å; S9-E152 PolarHBondContact OG-OE1 3.39Å; T12-E152 WeakPolarHBondContact CB-OE1 3.45Å; T12-E152 WeakPolarHBondContact CB-OE2 3.36Å; T12-E152 VanDerWaalsContact CG2-OE2 3.25Å; T12-E152 WeakPolarHBondContact CG2-OE2 3.29Å; T12-E152 VanDerWaalsContact OG1-CD 3.31Å; T12-E152 PolarHBondContact OG1-OE1 3.39Å; T12-E152 PolarHBondContact OG1-OE2 2.98Å; D150-E152 PolarHBondContact O-N 3.25Å; D150-E152 VanDerWaalsContact OD1-CB 3.29Å; D150-E152 WeakPolarHBondContact OD1-CB 3.5Å; D150-E152 PolarHBondContact OD1-N 2.99Å; E152-V155 PolarHBondContact O-N 2.87Å; E152-N156 VanDerWaalsContact O-CB 3.32Å; E152-N156 WeakPolarHBondContact O-CB 2.99Å; E152-N156 PolarHBondContact O-N 3.39Å; E152-N156 PolarHBondContact O-ND2 2.87Å; E152-N156 PolarHBondContact OE2-ND2 3.21Å
153L97.9Very high97.7Very high9 Ų920 Ų205%0.04711%0.106CC..Hα-helixtrans-76.2-24.6-179.3-61.1-170.8000113.1L111 K117 M147 D150 P151 V155 G157 F158L111-L153 HydrophobicContact CD2-CD2 4.22Å; K117-L153 HydrophobicContact CB-CD1 3.85Å; K117-L153 HydrophobicContact CB-CD2 3.77Å; K117-L153 HydrophobicContact CB-CG 4.46Å; K117-L153 HydrophobicContact CG-CD1 4.18Å; M147-L153 HydrophobicContact CB-CD1 4.02Å; M147-L153 WeakPolarHBondContact O-CD1 3.37Å; D150-L153 HydrophobicContact CB-CB 4.4Å; D150-L153 HydrophobicContact CB-CD1 4.35Å; D150-L153 HydrophobicContact CB-CG 4.11Å; D150-L153 PolarHBondContact O-N 2.97Å; D150-L153 VanDerWaalsContact O-N 3.08Å; P151-L153 VanDerWaalsContact C-N 3.27Å; P151-L153 PolarHBondContact O-N 2.86Å; L153-V155 VanDerWaalsContact C-N 3.3Å; L153-G157 VanDerWaalsContact O-CA 3.22Å; L153-G157 WeakPolarHBondContact O-CA 3.46Å; L153-G157 PolarHBondContact O-N 3.08Å; L153-F158 HydrophobicContact CB-CE2 4.48Å; L153-F158 HydrophobicContact CB-CZ 4.05Å; L153-F158 HydrophobicContact CD1-CE1 4.14Å; L153-F158 HydrophobicContact CD1-CZ 4.27Å
154Q98.1Very high97.6Very high14 Ų1420.7 Ų20.77%0.06511%0.109CC..Hα-helixtrans-64.1-38.9170.4-62.9169.921.500111.3R56 I148 D150 P151R56-Q154 HydrophobicContact CG-CG 4.36Å; I148-Q154 HydrophobicContact CD1-CG 4.47Å; I148-Q154 HydrophobicContact CG1-CG 3.62Å; I148-Q154 WeakPolarHBondContact O-CG 3.47Å; I148-Q154 PolarHBondContact O-NE2 3.02Å; D150-Q154 PolarHBondContact O-N 3.23Å; P151-Q154 WeakPolarHBondContact O-CB 3.43Å; P151-Q154 PolarHBondContact O-N 3.49Å
155V98Very high97.5Very high0 Ų022.5 Ų22.50%012%0.122CC..Hα-helixtrans-82.3-49.4179.1179.60000110.8L8 T12 K15 A16 L20 P151 E152 L153 R194L8-V155 HydrophobicContact CD1-CG2 4.32Å; L8-V155 HydrophobicContact CD2-CG2 4.13Å; T12-V155 HydrophobicContact CG2-CB 3.47Å; T12-V155 VanDerWaalsContact CG2-CB 3.47Å; T12-V155 HydrophobicContact CG2-CG1 3.49Å; T12-V155 VanDerWaalsContact CG2-CG1 3.49Å; T12-V155 HydrophobicContact CG2-CG2 3.91Å; K15-V155 HydrophobicContact CB-CG1 4.45Å; K15-V155 HydrophobicContact CD-CG1 4.41Å; K15-V155 HydrophobicContact CG-CG1 4.33Å; A16-V155 HydrophobicContact CB-CG1 3.95Å; A16-V155 HydrophobicContact CB-CG2 4Å; L20-V155 HydrophobicContact CD1-CB 4.35Å; L20-V155 HydrophobicContact CD1-CG1 4.01Å; L20-V155 HydrophobicContact CD1-CG2 4.22Å; P151-V155 PolarHBondContact O-N 3.49Å; E152-V155 PolarHBondContact O-N 2.87Å; L153-V155 VanDerWaalsContact C-N 3.3Å; V155-R194 PolarHBondContact O-NH1 2.91Å
156N98.1Very high97.4Very high10 Ų1028 Ų285%0.05315%0.152CC..Hα-helixtrans-79.3-41.9-173.2-67.2-42000112.6T12 K15 G115 R116 E152T12-N156 PolarHBondContact OG1-ND2 3.43Å; K15-N156 WeakPolarHBondContact CD-OD1 3.43Å; K15-N156 WeakPolarHBondContact CE-OD1 3.5Å; K15-N156 PolarHBondContact NZ-OD1 2.99Å; G115-N156 WeakPolarHBondContact O-CB 3.36Å; R116-N156 WeakPolarHBondContact CG-O 3.46Å; E152-N156 VanDerWaalsContact O-CB 3.32Å; E152-N156 WeakPolarHBondContact O-CB 2.99Å; E152-N156 PolarHBondContact O-N 3.39Å; E152-N156 PolarHBondContact O-ND2 2.87Å; E152-N156 PolarHBondContact OE2-ND2 3.21Å
157G98.1Very high97.3Very high0 Ų026.8 Ų26.80%014%0.14CC..  trans90.8-157.1178.600000114R116 K117 L153 R194R116-G157 VanDerWaalsContact CA-O 3.25Å; R116-G157 WeakPolarHBondContact CA-O 3.49Å; R116-G157 WeakPolarHBondContact CB-O 3.43Å; K117-G157 PolarHBondContact N-O 3.3Å; L153-G157 VanDerWaalsContact O-CA 3.22Å; L153-G157 WeakPolarHBondContact O-CA 3.46Å; L153-G157 PolarHBondContact O-N 3.08Å; G157-R194 CarbonylContact C-O 3.51Å; G157-R194 WeakPolarHBondContact CA-O 3.49Å
158F98.6Very high97.1Very high1 Ų129.4 Ų29.40%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-131.6157.3-167.9-60.5-94.2000111.6K117 L119 L144 M147 L153 A193 R194 F195 G196K117-F158 HydrophobicContact CB-CD1 3.71Å; K117-F158 HydrophobicContact CB-CE1 3.92Å; K117-F158 HydrophobicContact CG-CD1 4.19Å; K117-F158 HydrophobicContact CG-CE1 4.23Å; K117-F158 CarbonylContact O-C 3.35Å; K117-F158 VanDerWaalsContact O-CA 3.28Å; K117-F158 WeakPolarHBondContact O-CA 3.33Å; L119-F158 HydrophobicContact CD1-CD1 4.33Å; L119-F158 HydrophobicContact CG-CD1 4.48Å; L144-F158 HydrophobicContact CD2-CD1 3.92Å; L144-F158 HydrophobicContact CD2-CD2 4.42Å; L144-F158 HydrophobicContact CD2-CE1 3.86Å; L144-F158 HydrophobicContact CD2-CE2 4.37Å; L144-F158 HydrophobicContact CD2-CG 4.22Å; L144-F158 HydrophobicContact CD2-CZ 4.1Å; M147-F158 HydrophobicContact CB-CE1 3.79Å; M147-F158 HydrophobicContact CB-CZ 4.02Å; M147-F158 HydrophobicContact CG-CE1 4.5Å; M147-F158 HydrophobicContact SD-CE1 3.9Å; L153-F158 HydrophobicContact CB-CE2 4.48Å; L153-F158 HydrophobicContact CB-CZ 4.05Å; L153-F158 HydrophobicContact CD1-CE1 4.14Å; L153-F158 HydrophobicContact CD1-CZ 4.27Å; F158-A193 HydrophobicContact CD2-CB 3.9Å; F158-A193 HydrophobicContact CE2-CB 4.05Å; F158-R194 PolarHBondContact N-O 3.18Å; F158-F195 HydrophobicContact CB-CD1 3.9Å; F158-F195 HydrophobicContact CB-CE1 3.86Å; F158-F195 CarbonylContact O-C 3.47Å; F158-F195 WeakPolarHBondContact O-CA 3.34Å; F158-G196 PolarHBondContact O-N 2.82Å
159V98.5Very high96.9Very high0 Ų035.3 Ų35.30%018%0.182CC..EExtended strand (participates in β ladder)trans-126.7140.5166.21760000108D112 R116 K117 L119 I161 H199 I240D112-V159 WeakPolarHBondContact OD2-CG2 3.47Å; R116-V159 HydrophobicContact CB-CG2 3.97Å; R116-V159 HydrophobicContact CG-CG2 4.49Å; R116-V159 VanDerWaalsContact NE-CG2 3.27Å; K117-V159 PolarHBondContact O-N 3.34Å; L119-V159 PolarHBondContact N-O 3.11Å; V159-I161 HydrophobicContact CG1-CG1 4.49Å; V159-H199 VanDerWaalsContact CG1-CD2 3.43Å; V159-H199 WeakPolarHBondContact CG1-CD2 3.44Å; V159-I240 HydrophobicContact CG1-CD1 3.64Å
160L98.6Very high96.7Very high20 Ų2036.7 Ų36.711%0.10519%0.186CC..EExtended strand (participates in β ladder)trans-113.3127.2176.6-175.861.6000109.3L119 L121 I162 G197 I198 H199L119-L160 HydrophobicContact CB-CD1 3.71Å; L119-L160 CarbonylContact O-C 3.52Å; L119-L160 WeakPolarHBondContact O-CA 3.32Å; L121-L160 HydrophobicContact CD1-CD1 4.1Å; L121-L160 HydrophobicContact CD1-CD2 4.45Å; L121-L160 HydrophobicContact CD2-CD1 4.46Å; L121-L160 HydrophobicContact CG-CD1 3.86Å; L160-I162 HydrophobicContact CD2-CD1 3.87Å; L160-I162 HydrophobicContact CD2-CG1 4.08Å; L160-I162 HydrophobicContact CG-CD1 4.23Å; L160-I162 HydrophobicContact CG-CG1 3.87Å; L160-G197 PolarHBondContact N-O 2.95Å; L160-I198 HydrophobicContact CB-CG1 4.38Å; L160-I198 HydrophobicContact CB-CG2 4.36Å; L160-I198 HydrophobicContact CD2-CG2 4.14Å; L160-I198 HydrophobicContact CG-CG2 4.47Å; L160-I198 CarbonylContact O-C 3.52Å; L160-I198 WeakPolarHBondContact O-CA 3.15Å; L160-H199 PolarHBondContact O-N 2.88Å
161I98.6Very high96.6Very high0 Ų034.3 Ų34.30%017%0.173CC..EExtended strand (participates in β ladder)trans-113.8127.7169.9-49.1175.5000107.7I118 L119 V120 L121 V159 H199 V201 I240 L245 F249I118-I161 HydrophobicContact CG2-CD1 3.7Å; I118-I161 HydrophobicContact CG2-CG1 4.06Å; L119-I161 PolarHBondContact O-N 2.91Å; V120-I161 CarbonylContact C-O 3.57Å; V120-I161 VanDerWaalsContact CA-O 3.29Å; V120-I161 WeakPolarHBondContact CA-O 3.31Å; V120-I161 HydrophobicContact CG1-CB 4.32Å; L121-I161 PolarHBondContact N-O 3.24Å; V159-I161 HydrophobicContact CG1-CG1 4.49Å; I161-H199 CarbonylContact C-O 3.52Å; I161-H199 WeakPolarHBondContact CA-O 3.44Å; I161-H199 HydrophobicContact CG1-CB 4.35Å; I161-H199 HydrophobicContact CG2-CB 4.41Å; I161-V201 HydrophobicContact CG2-CG1 4.35Å; I161-V201 HydrophobicContact CG2-CG2 4.39Å; I161-I240 HydrophobicContact CD1-CD1 3.69Å; I161-I240 HydrophobicContact CG1-CD1 3.98Å; I161-L245 HydrophobicContact CD1-CD2 3.77Å; I161-F249 HydrophobicContact CB-CE1 4.35Å; I161-F249 HydrophobicContact CG2-CD1 3.7Å; I161-F249 HydrophobicContact CG2-CE1 3.42Å; I161-F249 VanDerWaalsContact CG2-CE1 3.42Å; I161-F249 HydrophobicContact CG2-CZ 4.05Å
162I98.2Very high96.4Very high21 Ų2133.9 Ų33.911%0.10817%0.172CC..EExtended strand (participates in β ladder)trans-119110.1-179.5-48178.6000107.2L121 L160 I198 H199 F200 V201L121-I162 HydrophobicContact CB-CG1 4.47Å; L121-I162 HydrophobicContact CB-CG2 4.18Å; L121-I162 HydrophobicContact CD1-CD1 4.35Å; L121-I162 HydrophobicContact CD1-CG1 4.17Å; L121-I162 HydrophobicContact CG-CG1 4.49Å; L121-I162 CarbonylContact O-C 3.56Å; L121-I162 WeakPolarHBondContact O-CA 3.34Å; L160-I162 HydrophobicContact CD2-CD1 3.87Å; L160-I162 HydrophobicContact CD2-CG1 4.08Å; L160-I162 HydrophobicContact CG-CD1 4.23Å; L160-I162 HydrophobicContact CG-CG1 3.87Å; I162-I198 HydrophobicContact CD1-CG2 4.22Å; I162-H199 PolarHBondContact N-O 2.96Å; I162-F200 HydrophobicContact CB-CD1 4.34Å; I162-F200 HydrophobicContact CB-CE1 4.49Å; I162-F200 HydrophobicContact CD1-CD1 4.4Å; I162-F200 HydrophobicContact CD1-CE1 3.78Å; I162-F200 HydrophobicContact CD1-CE2 4.33Å; I162-F200 HydrophobicContact CD1-CZ 3.74Å; I162-V201 PolarHBondContact O-N 3.08Å
163D98.1Very high96Very high13 Ų1335.8 Ų35.87%0.0719%0.188CC..EExtended strand (participates in β ladder)trans-83.1123.2171.9-170.912.3000110.2L121 F122 A123 S165 V201 N202 F249L121-D163 PolarHBondContact O-N 3.17Å; F122-D163 HydrophobicContact CD1-CB 3.96Å; F122-D163 HydrophobicContact CE1-CB 4.44Å; A123-D163 VanDerWaalsContact CB-O 3.24Å; A123-D163 WeakPolarHBondContact CB-O 3.48Å; A123-D163 PolarHBondContact N-O 2.85Å; D163-S165 VanDerWaalsContact OD1-CB 3.26Å; D163-S165 WeakPolarHBondContact OD1-CB 3.28Å; D163-S165 PolarHBondContact OD1-N 3.49Å; D163-S165 PolarHBondContact OD1-OG 3.18Å; D163-S165 WeakPolarHBondContact OD2-CB 3.29Å; D163-S165 PolarHBondContact OD2-OG 3.11Å; D163-V201 HydrophobicContact CB-CG2 4.02Å; D163-N202 PolarHBondContact OD1-ND2 2.8Å; D163-F249 HydrophobicContact CB-CE1 3.89Å; D163-F249 HydrophobicContact CB-CZ 4.33Å
164W96.8Very high95.8Very high14 Ų1440.7 Ų40.75%0.05321%0.209CC..  trans-102.44.6177.4-78.762.6000112.9N166 F167 L175 F200 V201 N202 Q203 P204 Y206 I207 L210W164-N166 PolarHBondContact O-N 2.86Å; W164-F167 HydrophobicContact CD2-CD1 4.17Å; W164-F167 HydrophobicContact CE3-CB 4.29Å; W164-F167 AromaticContact CE3-CD1 3.38Å; W164-F167 HydrophobicContact CE3-CD1 3.38Å; W164-F167 HydrophobicContact CE3-CE1 4.06Å; W164-F167 HydrophobicContact CE3-CG 4.17Å; W164-F167 AromaticContact CH2-CD1 3.93Å; W164-F167 HydrophobicContact CH2-CD1 3.93Å; W164-F167 AromaticContact CH2-CE1 3.72Å; W164-F167 HydrophobicContact CH2-CE1 3.72Å; W164-F167 AromaticContact CZ3-CD1 3.26Å; W164-F167 HydrophobicContact CZ3-CD1 3.26Å; W164-F167 AromaticContact CZ3-CE1 3.47Å; W164-F167 HydrophobicContact CZ3-CE1 3.47Å; W164-F167 VanDerWaalsContact CZ3-CE1 3.47Å; W164-F167 HydrophobicContact CZ3-CG 4.4Å; W164-F167 VanDerWaalsContact O-CB 3.3Å; W164-F167 WeakPolarHBondContact O-CB 3.46Å; W164-F167 PolarHBondContact O-N 2.87Å; W164-L175 HydrophobicContact CH2-CD1 4.33Å; W164-F200 AromaticContact CD1-CD1 3.87Å; W164-F200 AromaticContact CE2-CD1 3.9Å; W164-F200 HydrophobicContact CZ2-CD1 4.37Å; W164-F200 HydrophobicContact CZ2-CE1 4.12Å; W164-F200 AromaticContact NE1-CD1 3.24Å; W164-F200 AromaticContact NE1-CE1 3.6Å; W164-V201 WeakPolarHBondContact CB-O 3.12Å; W164-V201 PolarHBondContact N-O 3.03Å; W164-N202 CarbonylContact C-O 3.59Å; W164-N202 WeakPolarHBondContact CB-O 3.34Å; W164-Q203 HydrophobicContact CB-CB 4.06Å; W164-Q203 HydrophobicContact CD2-CB 4.41Å; W164-Q203 HydrophobicContact CG-CB 4.05Å; W164-P204 HydrophobicContact CE3-CG 4.03Å; W164-Y206 HydrophobicContact CE3-CE2 4.42Å; W164-Y206 HydrophobicContact CZ3-CD2 4.49Å; W164-Y206 AromaticContact CZ3-CE2 3.99Å; W164-Y206 HydrophobicContact CZ3-CE2 3.99Å; W164-I207 HydrophobicContact CD2-CD1 4.24Å; W164-I207 HydrophobicContact CE3-CD1 4.26Å; W164-I207 HydrophobicContact CH2-CD1 3.79Å; W164-I207 HydrophobicContact CZ2-CD1 3.7Å; W164-I207 HydrophobicContact CZ3-CD1 4.02Å; W164-L210 HydrophobicContact CH2-CD2 3.33Å; W164-L210 HydrophobicContact CZ2-CD2 3.9Å; W164-L210 HydrophobicContact CZ3-CD2 4.32Å
165S96.1Very high95.5Very high39 Ų3941.2 Ų41.227%0.27321%0.212SC..THydrogen-bonded Turntrans-49.8127.3172.1-61.50000110.1A124 D163 F167 N202A124-S165 VanDerWaalsContact CB-O 3.25Å; A124-S165 WeakPolarHBondContact CB-O 3.27Å; D163-S165 VanDerWaalsContact OD1-CB 3.26Å; D163-S165 WeakPolarHBondContact OD1-CB 3.28Å; D163-S165 PolarHBondContact OD1-N 3.49Å; D163-S165 PolarHBondContact OD1-OG 3.18Å; D163-S165 WeakPolarHBondContact OD2-CB 3.29Å; D163-S165 PolarHBondContact OD2-OG 3.11Å; S165-F167 PolarHBondContact O-N 3.43Å; S165-N202 WeakPolarHBondContact OG-CB 3.35Å; S165-N202 VanDerWaalsContact OG-CG 3.28Å; S165-N202 PolarHBondContact OG-ND2 3.36Å
166N94.9Very high95.4Very high144 Ų14443.7 Ų43.777%0.7723%0.228SC*.THydrogen-bonded Turntrans60.67.5-179.5-52.1-51000115.8A124 W164 T168A124-N166 HydrophobicContact CB-CB 3.98Å; W164-N166 PolarHBondContact O-N 2.86Å; N166-T168 PolarHBondContact O-N 2.77Å
167F95.1Very high95.2Very high11 Ų1146.7 Ų46.75%0.04825%0.247CC..  trans-69.5118172.9-172.5-114.3000109.2A123 W126 W164 S165 Q171 A172 L175 Y206A123-F167 HydrophobicContact CB-CB 4.04Å; A123-F167 HydrophobicContact CB-CD2 3.61Å; A123-F167 HydrophobicContact CB-CE2 4.13Å; A123-F167 HydrophobicContact CB-CG 3.85Å; A123-F167 VanDerWaalsContact O-CD2 3.3Å; A123-F167 WeakPolarHBondContact O-CD2 3.31Å; W126-F167 HydrophobicContact CE3-CE2 4.06Å; W126-F167 HydrophobicContact CE3-CZ 4.32Å; W126-F167 HydrophobicContact CZ3-CZ 4.45Å; W164-F167 HydrophobicContact CD2-CD1 4.17Å; W164-F167 HydrophobicContact CE3-CB 4.29Å; W164-F167 AromaticContact CE3-CD1 3.38Å; W164-F167 HydrophobicContact CE3-CD1 3.38Å; W164-F167 HydrophobicContact CE3-CE1 4.06Å; W164-F167 HydrophobicContact CE3-CG 4.17Å; W164-F167 AromaticContact CH2-CD1 3.93Å; W164-F167 HydrophobicContact CH2-CD1 3.93Å; W164-F167 AromaticContact CH2-CE1 3.72Å; W164-F167 HydrophobicContact CH2-CE1 3.72Å; W164-F167 AromaticContact CZ3-CD1 3.26Å; W164-F167 HydrophobicContact CZ3-CD1 3.26Å; W164-F167 AromaticContact CZ3-CE1 3.47Å; W164-F167 HydrophobicContact CZ3-CE1 3.47Å; W164-F167 VanDerWaalsContact CZ3-CE1 3.47Å; W164-F167 HydrophobicContact CZ3-CG 4.4Å; W164-F167 VanDerWaalsContact O-CB 3.3Å; W164-F167 WeakPolarHBondContact O-CB 3.46Å; W164-F167 PolarHBondContact O-N 2.87Å; S165-F167 PolarHBondContact O-N 3.43Å; F167-Q171 HydrophobicContact CD2-CB 3.88Å; F167-Q171 HydrophobicContact CD2-CG 4.45Å; F167-Q171 HydrophobicContact CE1-CB 4.34Å; F167-Q171 HydrophobicContact CE2-CB 3.32Å; F167-Q171 HydrophobicContact CE2-CG 4.12Å; F167-Q171 HydrophobicContact CZ-CB 3.59Å; F167-A172 HydrophobicContact CD1-CB 4.37Å; F167-A172 HydrophobicContact CE1-CB 3.71Å; F167-A172 HydrophobicContact CZ-CB 4.48Å; F167-L175 HydrophobicContact CE1-CD1 4.21Å; F167-L175 HydrophobicContact CZ-CD1 4.2Å; F167-Y206 PolarHBondContact O-OH 2.95Å
168T93.8Very high95.1Very high64 Ų6450.7 Ų50.739%0.39328%0.276SS..  trans-85.2156.3-169.1650000112.9N166 K170 Q171 A172N166-T168 PolarHBondContact O-N 2.77Å; T168-K170 PolarHBondContact O-N 3.41Å; T168-Q171 PolarHBondContact O-N 3.03Å; T168-Q171 VanDerWaalsContact O-N 3.07Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.42Å; T168-Q171 PolarHBondContact OG1-N 3.12Å; T168-Q171 VanDerWaalsContact OG1-N 3.09Å; T168-Q171 PolarHBondContact OG1-OE1 3.34Å; T168-A172 PolarHBondContact O-N 3.17Å
169F91.5Very high94.9Very high126 Ų12652.9 Ų52.955%0.55329%0.286SS*.Hα-helixtrans-60.6-33.6171.5-174.7-98000112Q171 A172 S173 Y206F169-Q171 VanDerWaalsContact C-N 3.33Å; F169-Q171 PolarHBondContact O-N 2.83Å; F169-A172 PolarHBondContact O-N 3.37Å; F169-S173 WeakPolarHBondContact O-CB 3.34Å; F169-S173 PolarHBondContact O-N 2.88Å; F169-Y206 HydrophobicContact CB-CE1 4.07Å; F169-Y206 AromaticContact CD2-CD1 3.82Å; F169-Y206 HydrophobicContact CD2-CD1 3.82Å; F169-Y206 HydrophobicContact CD2-CE1 4.05Å; F169-Y206 HydrophobicContact CD2-CG 4.09Å; F169-Y206 PolarHBondContact N-OH 3.24Å; F169-Y206 VanDerWaalsContact N-OH 3.17Å
170K91.3Very high94.8Very high155 Ų15554 Ų5467%0.67429%0.292SS*.Hα-helixtrans-59-46.3173.3-178.2-177.4175.7-172.90110.4T168 S173T168-K170 PolarHBondContact O-N 3.41Å; K170-S173 PolarHBondContact O-N 2.95Å; K170-S173 PolarHBondContact O-OG 3.33Å
171Q93.5Very high94.7Very high23 Ų2359.5 Ų59.511%0.10731%0.312CS..Hα-helixtrans-64.5-46.3176.9-73.6162.3-55.800111.2A124 W126 Q128 F167 T168 F169 S173 K174A124-Q171 PolarHBondContact O-NE2 2.77Å; W126-Q171 PolarHBondContact O-NE2 3.13Å; Q128-Q171 PolarHBondContact NE2-O 2.67Å; F167-Q171 HydrophobicContact CD2-CB 3.88Å; F167-Q171 HydrophobicContact CD2-CG 4.45Å; F167-Q171 HydrophobicContact CE1-CB 4.34Å; F167-Q171 HydrophobicContact CE2-CB 3.32Å; F167-Q171 HydrophobicContact CE2-CG 4.12Å; F167-Q171 HydrophobicContact CZ-CB 3.59Å; T168-Q171 PolarHBondContact O-N 3.03Å; T168-Q171 VanDerWaalsContact O-N 3.07Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.42Å; T168-Q171 PolarHBondContact OG1-N 3.12Å; T168-Q171 VanDerWaalsContact OG1-N 3.09Å; T168-Q171 PolarHBondContact OG1-OE1 3.34Å; F169-Q171 VanDerWaalsContact C-N 3.33Å; F169-Q171 PolarHBondContact O-N 2.83Å; Q171-S173 VanDerWaalsContact C-N 3.26Å; Q171-S173 PolarHBondContact O-N 3.02Å; Q171-K174 PolarHBondContact O-N 2.77Å; Q171-K174 VanDerWaalsContact O-N 3.1Å
172A92.3Very high94.6Very high16 Ų1661 Ų6113%0.13232%0.32CS..Hα-helixtrans-57.6-37.1177.700000112.7F167 T168 F169 K174 L175 Y206F167-A172 HydrophobicContact CD1-CB 4.37Å; F167-A172 HydrophobicContact CE1-CB 3.71Å; F167-A172 HydrophobicContact CZ-CB 4.48Å; T168-A172 PolarHBondContact O-N 3.17Å; F169-A172 PolarHBondContact O-N 3.37Å; A172-K174 PolarHBondContact O-N 3.37Å; A172-K174 VanDerWaalsContact O-N 3.09Å; A172-L175 WeakPolarHBondContact O-CB 3.23Å; A172-L175 PolarHBondContact O-N 3.4Å; A172-Y206 HydrophobicContact CB-CD2 4.11Å; A172-Y206 HydrophobicContact CB-CE2 3.66Å
173S90.8Very high94.6Very high71 Ų7161.1 Ų61.150%0.49732%0.324SS..THydrogen-bonded Turntrans-63.8-15.5179.875.80000114.1F169 K170 Q171F169-S173 WeakPolarHBondContact O-CB 3.34Å; F169-S173 PolarHBondContact O-N 2.88Å; K170-S173 PolarHBondContact O-N 2.95Å; K170-S173 PolarHBondContact O-OG 3.33Å; Q171-S173 VanDerWaalsContact C-N 3.26Å; Q171-S173 PolarHBondContact O-N 3.02Å
174K92.3Very high94.5Very high113 Ų11361.6 Ų61.649%0.49133%0.326SS..THydrogen-bonded Turntrans-91-5.6175.4-58.4-57.6-173.1170.50113.8W126 Q128 Q171 A172 T176W126-K174 HydrophobicContact CH2-CB 4.09Å; Q128-K174 VanDerWaalsContact OE1-CG 3.22Å; Q171-K174 PolarHBondContact O-N 2.77Å; Q171-K174 VanDerWaalsContact O-N 3.1Å; A172-K174 PolarHBondContact O-N 3.37Å; A172-K174 VanDerWaalsContact O-N 3.09Å; K174-T176 PolarHBondContact O-N 2.98Å; K174-T176 VanDerWaalsContact O-N 3.09Å
175L93.3Very high94.6Very high25 Ų2562.9 Ų62.913%0.13133%0.332CS..  trans-77.393.1174-58.7179.1000109.2W126 L133 W164 F167 A172 L180 L210W126-L175 HydrophobicContact CH2-CD2 4.02Å; W126-L175 HydrophobicContact CZ3-CD2 3.62Å; W126-L175 HydrophobicContact CZ3-CG 4.38Å; L133-L175 HydrophobicContact CD1-CD2 4.11Å; L133-L175 HydrophobicContact CD2-CD2 3.59Å; L133-L175 HydrophobicContact CG-CD2 4.47Å; W164-L175 HydrophobicContact CH2-CD1 4.33Å; F167-L175 HydrophobicContact CE1-CD1 4.21Å; F167-L175 HydrophobicContact CZ-CD1 4.2Å; A172-L175 WeakPolarHBondContact O-CB 3.23Å; A172-L175 PolarHBondContact O-N 3.4Å; L175-L180 HydrophobicContact CB-CD1 4.2Å; L175-L180 HydrophobicContact CB-CD2 4.32Å; L175-L180 HydrophobicContact CB-CG 4.41Å; L175-L210 HydrophobicContact CB-CD1 4.27Å; L175-L210 HydrophobicContact CD1-CD1 4.17Å; L175-L210 HydrophobicContact CD1-CD2 3.75Å
176T94.1Very high94.6Very high52 Ų5261 Ų6132%0.31932%0.319SS..  trans-81150.7179.171.20000111.4K174 S178 M179 L180K174-T176 PolarHBondContact O-N 2.98Å; K174-T176 VanDerWaalsContact O-N 3.09Å; T176-S178 PolarHBondContact O-N 3.09Å; T176-S178 PolarHBondContact OG1-OG 3.1Å; T176-S178 VanDerWaalsContact OG1-OG 3.1Å; T176-M179 HydrophobicContact CG2-SD 3.86Å; T176-M179 PolarHBondContact O-N 3.12Å; T176-M179 WeakPolarHBondContact OG1-CB 3.49Å; T176-M179 WeakPolarHBondContact OG1-CG 3.27Å; T176-M179 PolarHBondContact OG1-N 2.83Å; T176-M179 PolarHBondContact OG1-SD 3.17Å; T176-L180 WeakPolarHBondContact O-CG 3.36Å; T176-L180 PolarHBondContact O-N 3.21Å
177P94.9Very high94.7Very high72 Ų7255.9 Ų55.947%0.46829%0.292SS..Hα-helixtrans-56.5-35.4177-25.833.5000113.8R181 V213P177-R181 VanDerWaalsContact O-CB 3.25Å; P177-R181 WeakPolarHBondContact O-CB 3.46Å; P177-R181 PolarHBondContact O-N 3.19Å; P177-V213 HydrophobicContact CB-CG1 4Å; P177-V213 HydrophobicContact CG-CG1 3.82Å
178S95.1Very high94.8Very high85 Ų8556.7 Ų56.759%0.59430%0.296SS*.Hα-helixtrans-66.8-43177.851.20000112T176 R181 L182T176-S178 PolarHBondContact O-N 3.09Å; T176-S178 PolarHBondContact OG1-OG 3.1Å; T176-S178 VanDerWaalsContact OG1-OG 3.1Å; S178-R181 PolarHBondContact O-N 3.48Å; S178-L182 WeakPolarHBondContact O-CB 3.28Å; S178-L182 PolarHBondContact O-N 2.95Å
179M94.9Very high94.8Very high46 Ų4655.3 Ų55.323%0.22729%0.286CS..Hα-helixtrans-66.5-40177.2-66.3158.367.800111.8L133 T176 L182 A183L133-M179 HydrophobicContact CB-CE 3.35Å; L133-M179 HydrophobicContact CD2-CB 4.07Å; L133-M179 HydrophobicContact CD2-CE 3.76Å; L133-M179 HydrophobicContact CG-CE 4.19Å; T176-M179 HydrophobicContact CG2-SD 3.86Å; T176-M179 PolarHBondContact O-N 3.12Å; T176-M179 WeakPolarHBondContact OG1-CB 3.49Å; T176-M179 WeakPolarHBondContact OG1-CG 3.27Å; T176-M179 PolarHBondContact OG1-N 2.83Å; T176-M179 PolarHBondContact OG1-SD 3.17Å; M179-L182 WeakPolarHBondContact O-CB 3.12Å; M179-L182 PolarHBondContact O-N 3.39Å; M179-A183 PolarHBondContact O-N 2.8Å
180L95.9Very high95.1Very high24 Ų2449.4 Ų49.413%0.12626%0.26CS..Hα-helixtrans-68-41.1176.9-64.6166.7000111.6L175 T176 A183 I184 L210 V213 I214L175-L180 HydrophobicContact CB-CD1 4.2Å; L175-L180 HydrophobicContact CB-CD2 4.32Å; L175-L180 HydrophobicContact CB-CG 4.41Å; T176-L180 WeakPolarHBondContact O-CG 3.36Å; T176-L180 PolarHBondContact O-N 3.21Å; L180-A183 PolarHBondContact O-N 3.31Å; L180-I184 WeakPolarHBondContact O-CB 3.38Å; L180-I184 WeakPolarHBondContact O-CD1 3.46Å; L180-I184 VanDerWaalsContact O-CG1 3.24Å; L180-I184 WeakPolarHBondContact O-CG1 3.45Å; L180-I184 PolarHBondContact O-N 3.31Å; L180-L210 HydrophobicContact CD1-CD1 3.45Å; L180-L210 VanDerWaalsContact CD1-CD1 3.45Å; L180-V213 HydrophobicContact CD1-CG1 4.16Å; L180-I214 HydrophobicContact CB-CG2 3.79Å; L180-I214 HydrophobicContact CD1-CG2 3.64Å; L180-I214 HydrophobicContact CD2-CG2 4.32Å; L180-I214 HydrophobicContact CG-CG2 4.12Å
181R96.8Very high95.5Very high136 Ų13642.1 Ų42.151%0.51323%0.228SC..Hα-helixtrans-60-46.2173179.9179.6172168.8-0.6111P177 S178 A183 I184 E185 F217P177-R181 VanDerWaalsContact O-CB 3.25Å; P177-R181 WeakPolarHBondContact O-CB 3.46Å; P177-R181 PolarHBondContact O-N 3.19Å; S178-R181 PolarHBondContact O-N 3.48Å; R181-A183 VanDerWaalsContact C-N 3.34Å; R181-A183 PolarHBondContact O-N 3.19Å; R181-I184 PolarHBondContact O-N 3.41Å; R181-E185 WeakPolarHBondContact O-CB 3.35Å; R181-E185 PolarHBondContact O-N 3Å; R181-F217 HydrophobicContact CB-CD1 4.28Å; R181-F217 HydrophobicContact CB-CD2 3.9Å; R181-F217 HydrophobicContact CB-CE1 4.32Å; R181-F217 HydrophobicContact CB-CE2 3.93Å; R181-F217 HydrophobicContact CB-CG 4.09Å; R181-F217 HydrophobicContact CB-CZ 4.14Å; R181-F217 HydrophobicContact CG-CD1 3.99Å; R181-F217 HydrophobicContact CG-CD2 4.43Å; R181-F217 HydrophobicContact CG-CE1 4.22Å; R181-F217 HydrophobicContact CG-CG 4.11Å
182L97.3Very high95.7Very high32 Ų3241.1 Ų41.117%0.16822%0.224CC..Hα-helixtrans-55.9-49.1176.9-178.269.2000110.9Y78 N82 M85 V134 L137 S178 M179 I184 E185 G186Y78-L182 HydrophobicContact CE2-CD1 3.83Å; Y78-L182 VanDerWaalsContact OH-CD1 3.3Å; Y78-L182 WeakPolarHBondContact OH-CD1 3.5Å; Y78-L182 PolarHBondContact OH-O 3.21Å; N82-L182 VanDerWaalsContact OD1-CD1 3.26Å; N82-L182 WeakPolarHBondContact OD1-CD1 3.31Å; M85-L182 HydrophobicContact SD-CD2 4.11Å; V134-L182 HydrophobicContact CG2-CD2 4.4Å; L137-L182 HydrophobicContact CD2-CD2 4.21Å; L137-L182 HydrophobicContact CD2-CG 3.97Å; S178-L182 WeakPolarHBondContact O-CB 3.28Å; S178-L182 PolarHBondContact O-N 2.95Å; M179-L182 WeakPolarHBondContact O-CB 3.12Å; M179-L182 PolarHBondContact O-N 3.39Å; L182-I184 PolarHBondContact O-N 2.76Å; L182-E185 PolarHBondContact O-N 2.77Å; L182-G186 PolarHBondContact O-N 3.16Å
183A97.3Very high95.8Very high23 Ų2340.9 Ų40.919%0.1922%0.222CC..Hα-helixtrans-61.7-43.8177.600000113L137 M179 L180 R181 G186 L187L137-A183 HydrophobicContact CD1-CB 4Å; L137-A183 HydrophobicContact CD2-CB 4.06Å; M179-A183 PolarHBondContact O-N 2.8Å; L180-A183 PolarHBondContact O-N 3.31Å; R181-A183 VanDerWaalsContact C-N 3.34Å; R181-A183 PolarHBondContact O-N 3.19Å; A183-G186 PolarHBondContact O-N 3.48Å; A183-L187 WeakPolarHBondContact O-CB 3.48Å; A183-L187 WeakPolarHBondContact O-CG 3.28Å; A183-L187 PolarHBondContact O-N 3.42Å
184I97.5Very high96Very high23 Ų2339.5 Ų39.512%0.11821%0.206CC..Hα-helixtrans-64.3-46.9178.8-69.9163.8000110.6L180 R181 L182 G186 L187 Q188 I214 F217 L218L180-I184 WeakPolarHBondContact O-CB 3.38Å; L180-I184 WeakPolarHBondContact O-CD1 3.46Å; L180-I184 VanDerWaalsContact O-CG1 3.24Å; L180-I184 WeakPolarHBondContact O-CG1 3.45Å; L180-I184 PolarHBondContact O-N 3.31Å; R181-I184 PolarHBondContact O-N 3.41Å; L182-I184 PolarHBondContact O-N 2.76Å; I184-G186 PolarHBondContact O-N 2.91Å; I184-L187 PolarHBondContact O-N 2.95Å; I184-Q188 HydrophobicContact CG2-CB 4.29Å; I184-Q188 WeakPolarHBondContact O-CA 3.27Å; I184-Q188 WeakPolarHBondContact O-CB 3.43Å; I184-Q188 PolarHBondContact O-N 2.76Å; I184-I214 HydrophobicContact CD1-CB 3.75Å; I184-I214 HydrophobicContact CD1-CG2 4.08Å; I184-F217 HydrophobicContact CD1-CB 3.96Å; I184-F217 HydrophobicContact CD1-CD2 4.36Å; I184-F217 HydrophobicContact CG2-CB 4.17Å; I184-F217 WeakPolarHBondContact CG2-O 3.35Å; I184-L218 HydrophobicContact CD1-CD2 3.94Å; I184-L218 HydrophobicContact CD1-CG 4.4Å; I184-L218 HydrophobicContact CG1-CD2 4.18Å; I184-L218 HydrophobicContact CG2-CD2 4.09Å
185E97.4Very high96.2Very high40 Ų4035.6 Ų35.619%0.18719%0.189CC..Iπ-helixtrans-60.7-45.9178.2-173.1174.3163.400111Q74 Y78 R181 L182 L187 D189 S190Q74-E185 PolarHBondContact NE2-OE1 2.82Å; Y78-E185 HydrophobicContact CD2-CG 3.95Å; Y78-E185 HydrophobicContact CE2-CB 4.15Å; Y78-E185 HydrophobicContact CE2-CG 4.04Å; R181-E185 WeakPolarHBondContact O-CB 3.35Å; R181-E185 PolarHBondContact O-N 3Å; L182-E185 PolarHBondContact O-N 2.77Å; E185-L187 PolarHBondContact O-N 3.23Å; E185-D189 HydrophobicContact CG-CB 4.43Å; E185-D189 WeakPolarHBondContact O-CA 3.42Å; E185-D189 WeakPolarHBondContact O-CB 3.41Å; E185-D189 PolarHBondContact O-N 3.11Å; E185-S190 WeakPolarHBondContact O-CB 3.3Å; E185-S190 PolarHBondContact O-N 3.36Å; E185-S190 PolarHBondContact O-OG 2.84Å; E185-S190 VanDerWaalsContact O-OG 3.1Å
186G97.6Very high96.4Very high0 Ų035.4 Ų35.40%019%0.193CC..Iπ-helixtrans-56.1-48.5175.900000113.2Y78 L182 A183 I184 S190 F191Y78-G186 VanDerWaalsContact CZ-CA 3.46Å; L182-G186 PolarHBondContact O-N 3.16Å; A183-G186 PolarHBondContact O-N 3.48Å; I184-G186 PolarHBondContact O-N 2.91Å; G186-S190 CarbonylContact O-C 3.58Å; G186-F191 VanDerWaalsContact O-CB 3.28Å; G186-F191 WeakPolarHBondContact O-CB 3.38Å; G186-F191 PolarHBondContact O-N 2.91Å
187L97.1Very high96.5Very high37 Ų3732.9 Ų32.919%0.19418%0.178CC..Iπ-helixtrans-85.6-37.3-173.2-65.2170.6000114.1L137 I140 L141 L144 A183 I184 E185L137-L187 HydrophobicContact CD1-CG 4.37Å; I140-L187 HydrophobicContact CG2-CD2 3.91Å; L141-L187 HydrophobicContact CD2-CD2 4.01Å; L144-L187 HydrophobicContact CD1-CD2 3.52Å; A183-L187 WeakPolarHBondContact O-CB 3.48Å; A183-L187 WeakPolarHBondContact O-CG 3.28Å; A183-L187 PolarHBondContact O-N 3.42Å; I184-L187 PolarHBondContact O-N 2.95Å; E185-L187 PolarHBondContact O-N 3.23Å
188Q96.1Very high96.7Very high28 Ų2830.8 Ų30.813%0.13116%0.162CC..Iπ-helixtrans-88.2-42.4-174.4-174.4-172.7-103.500112.1I184 F217 K219 T222I184-Q188 HydrophobicContact CG2-CB 4.29Å; I184-Q188 WeakPolarHBondContact O-CA 3.27Å; I184-Q188 WeakPolarHBondContact O-CB 3.43Å; I184-Q188 PolarHBondContact O-N 2.76Å; Q188-F217 PolarHBondContact NE2-O 2.93Å; Q188-K219 HydrophobicContact CG-CD 4.23Å; Q188-T222 VanDerWaalsContact OE1-CB 3.23Å; Q188-T222 PolarHBondContact OE1-OG1 3.15Å
189D94.7Very high96.8Very high35 Ų3526.9 Ų26.919%0.18714%0.135CC..Iπ-helixtrans-108.9-25.4-164-59.9-33.7000112.6L71 Q74 E185 K219L71-D189 WeakPolarHBondContact CD1-O 3.41Å; Q74-D189 HydrophobicContact CG-CB 4.49Å; Q74-D189 VanDerWaalsContact CG-O 3.27Å; Q74-D189 WeakPolarHBondContact CG-O 3.45Å; E185-D189 HydrophobicContact CG-CB 4.43Å; E185-D189 WeakPolarHBondContact O-CA 3.42Å; E185-D189 WeakPolarHBondContact O-CB 3.41Å; E185-D189 PolarHBondContact O-N 3.11Å; D189-K219 WeakPolarHBondContact OD1-CE 3.18Å; D189-K219 IonicContact OD1-NZ 3.44Å; D189-K219 PolarHBondContact OD1-NZ 3.31Å
190S97.8Very high97Very high1 Ų125.8 Ų25.81%0.00713%0.129CC..SBendtrans-117.6-1.4-170.2-51.70000114.3Q74 Y75 Y78 E185 G186Q74-S190 WeakPolarHBondContact CG-OG 3.45Å; Y75-S190 VanDerWaalsContact CA-O 3.29Å; Y75-S190 WeakPolarHBondContact CA-O 3.3Å; Y75-S190 VanDerWaalsContact CB-O 3.24Å; Y75-S190 WeakPolarHBondContact CB-O 3.19Å; Y75-S190 WeakPolarHBondContact CD2-O 3.42Å; Y78-S190 WeakPolarHBondContact CB-OG 3.37Å; E185-S190 WeakPolarHBondContact O-CB 3.3Å; E185-S190 PolarHBondContact O-N 3.36Å; E185-S190 PolarHBondContact O-OG 2.84Å; E185-S190 VanDerWaalsContact O-OG 3.1Å; G186-S190 CarbonylContact O-C 3.58Å
191F98.2Very high97.1Very high2 Ų224.6 Ų24.61%0.00912%0.123CC..SBendtrans-122135.3-178.9-162.6-85.5000111.8L141 L144 E145 I148 G186 A193L141-F191 HydrophobicContact CD2-CD2 3.98Å; L144-F191 VanDerWaalsContact C-CZ 3.46Å; L144-F191 HydrophobicContact CB-CD1 4.4Å; L144-F191 HydrophobicContact CB-CE1 3.64Å; L144-F191 HydrophobicContact CB-CE2 3.91Å; L144-F191 HydrophobicContact CB-CZ 3.38Å; L144-F191 HydrophobicContact CD1-CD1 4.41Å; L144-F191 HydrophobicContact CD1-CE1 4.41Å; L144-F191 HydrophobicContact CG-CE1 4.49Å; E145-F191 HydrophobicContact CG-CE2 3.93Å; E145-F191 HydrophobicContact CG-CZ 4.45Å; E145-F191 WeakPolarHBondContact OE1-CE2 3.44Å; I148-F191 HydrophobicContact CD1-CE1 3.89Å; I148-F191 HydrophobicContact CG2-CE1 4.43Å; I148-F191 HydrophobicContact CG2-CZ 4.08Å; G186-F191 VanDerWaalsContact O-CB 3.28Å; G186-F191 WeakPolarHBondContact O-CB 3.38Å; G186-F191 PolarHBondContact O-N 2.91Å; F191-A193 HydrophobicContact CD1-CB 3.47Å; F191-A193 VanDerWaalsContact CD1-CB 3.47Å; F191-A193 HydrophobicContact CE1-CB 3.82Å; F191-A193 PolarHBondContact O-N 3.36Å
192P97.8Very high97.1Very high3 Ų319.7 Ų19.72%0.01911%0.107CC..  trans-77.535.8-177.231.9-34.6000114.4R56 F57 A60 L71 I148R56-P192 HydrophobicContact CB-CB 4.13Å; R56-P192 HydrophobicContact CB-CG 4.13Å; F57-P192 HydrophobicContact CD1-CB 4Å; F57-P192 HydrophobicContact CD1-CG 4.46Å; F57-P192 HydrophobicContact CE1-CB 4.02Å; F57-P192 HydrophobicContact CE1-CG 4.01Å; F57-P192 HydrophobicContact CE2-CG 4.26Å; F57-P192 HydrophobicContact CG-CB 4.27Å; F57-P192 HydrophobicContact CZ-CB 4.33Å; F57-P192 HydrophobicContact CZ-CG 3.9Å; A60-P192 HydrophobicContact CB-CB 4.02Å; A60-P192 WeakPolarHBondContact CB-O 3.32Å; L71-P192 HydrophobicContact CD2-CB 4.13Å; I148-P192 HydrophobicContact CD1-CB 4.43Å; I148-P192 HydrophobicContact CD1-CG 4.11Å; I148-P192 WeakPolarHBondContact CD1-O 3.17Å
193A95.2Very high96.9Very high11 Ų1119.5 Ų19.59%0.09111%0.105CC..  trans-94.1149.917700000112.4F158 F191 F195F158-A193 HydrophobicContact CD2-CB 3.9Å; F158-A193 HydrophobicContact CE2-CB 4.05Å; F191-A193 HydrophobicContact CD1-CB 3.47Å; F191-A193 VanDerWaalsContact CD1-CB 3.47Å; F191-A193 HydrophobicContact CE1-CB 3.82Å; F191-A193 PolarHBondContact O-N 3.36Å; A193-F195 HydrophobicContact CB-CD2 4.3Å; A193-F195 HydrophobicContact CB-CE2 3.77Å; A193-F195 HydrophobicContact CB-CZ 4.24Å
194R95.5Very high96.7Very high41 Ų4120 Ų2016%0.15511%0.106CC..  trans-106.6102.1171.3-60.9174.577.5-124.610.5109.1E19 V155 G157 F158 G196E19-R194 IonicContact OE2-NH2 3.25Å; E19-R194 PolarHBondContact OE2-NH2 2.67Å; V155-R194 PolarHBondContact O-NH1 2.91Å; G157-R194 CarbonylContact C-O 3.51Å; G157-R194 WeakPolarHBondContact CA-O 3.49Å; F158-R194 PolarHBondContact N-O 3.18Å; R194-G196 PolarHBondContact O-N 2.67Å
195F96.5Very high96.3Very high31 Ų3128.5 Ų28.514%0.13614%0.137CC..EExtended strand (participates in β ladder)trans-83.8116173.8-70.9-82.2000111L144 F158 A193 R225L144-F195 HydrophobicContact CD1-CZ 4.09Å; L144-F195 HydrophobicContact CD2-CZ 4.33Å; F158-F195 HydrophobicContact CB-CD1 3.9Å; F158-F195 HydrophobicContact CB-CE1 3.86Å; F158-F195 CarbonylContact O-C 3.47Å; F158-F195 WeakPolarHBondContact O-CA 3.34Å; A193-F195 HydrophobicContact CB-CD2 4.3Å; A193-F195 HydrophobicContact CB-CE2 3.77Å; A193-F195 HydrophobicContact CB-CZ 4.24Å; F195-R225 VanDerWaalsContact O-CD 3.24Å; F195-R225 WeakPolarHBondContact O-CD 3.43Å; F195-R225 VanDerWaalsContact O-CZ 3.31Å; F195-R225 PolarHBondContact O-NH1 3.15Å
196G96Very high95.9Very high21 Ų2127.8 Ų27.822%0.21613%0.132CC..EExtended strand (participates in β ladder)trans-76.5-2717700000114.1R116 F158 R194R116-G196 VanDerWaalsContact NH1-CA 3.32Å; F158-G196 PolarHBondContact O-N 2.82Å; R194-G196 PolarHBondContact O-N 2.67Å
197G97.6Very high95.6Very high0 Ų028 Ų280%013%0.134CC..EExtended strand (participates in β ladder)trans-170.4151.1178.300000111.8L160 R225L160-G197 PolarHBondContact N-O 2.95Å; G197-R225 CarbonylContact C-O 3.52Å; G197-R225 WeakPolarHBondContact CA-O 3.49Å
198I98.3Very high95.4Very high28 Ų2832 Ų3214%0.14415%0.151CC..EExtended strand (participates in β ladder)trans-126.2109.7173.3-56.5168000106.7L160 I162 F200 T222 R225 I226 F227L160-I198 HydrophobicContact CB-CG1 4.38Å; L160-I198 HydrophobicContact CB-CG2 4.36Å; L160-I198 HydrophobicContact CD2-CG2 4.14Å; L160-I198 HydrophobicContact CG-CG2 4.47Å; L160-I198 CarbonylContact O-C 3.52Å; L160-I198 WeakPolarHBondContact O-CA 3.15Å; I162-I198 HydrophobicContact CD1-CG2 4.22Å; I198-F200 HydrophobicContact CG2-CD2 4.25Å; I198-F200 HydrophobicContact CG2-CE2 3.59Å; I198-F200 HydrophobicContact CG2-CZ 4.25Å; I198-T222 HydrophobicContact CD1-CG2 4.16Å; I198-R225 PolarHBondContact N-O 2.98Å; I198-I226 HydrophobicContact CB-CG1 4.23Å; I198-I226 HydrophobicContact CD1-CG1 4.26Å; I198-I226 CarbonylContact O-C 3.57Å; I198-I226 WeakPolarHBondContact O-CA 3.26Å; I198-F227 PolarHBondContact O-N 3.01Å
199H98.4Very high95.2Very high3 Ų333.5 Ų33.51%0.01417%0.168CC..EExtended strand (participates in β ladder)trans-110.4116.1-168.4-59.9-91.3000109.4V159 L160 I161 I162 F227 H229 L236V159-H199 VanDerWaalsContact CG1-CD2 3.43Å; V159-H199 WeakPolarHBondContact CG1-CD2 3.44Å; L160-H199 PolarHBondContact O-N 2.88Å; I161-H199 CarbonylContact C-O 3.52Å; I161-H199 WeakPolarHBondContact CA-O 3.44Å; I161-H199 HydrophobicContact CG1-CB 4.35Å; I161-H199 HydrophobicContact CG2-CB 4.41Å; I162-H199 PolarHBondContact N-O 2.96Å; H199-F227 AromaticContact CE1-CD2 3.46Å; H199-F227 VanDerWaalsContact CE1-CD2 3.46Å; H199-F227 WeakPolarHBondContact CE1-CD2 3.35Å; H199-F227 AromaticContact CE1-CE2 3.99Å; H199-F227 AromaticContact ND1-CD2 3.71Å; H199-H229 AromaticContact CG-NE2 3.61Å; H199-H229 AromaticContact ND1-CD2 3.99Å; H199-H229 AromaticContact ND1-CE1 3.76Å; H199-H229 AromaticContact ND1-NE2 2.91Å; H199-H229 PolarHBondContact ND1-NE2 3.03Å; H199-L236 HydrophobicContact CB-CD1 3.75Å
200F97.9Very high95Very high22 Ų2233.2 Ų33.210%0.09617%0.167CC..EExtended strand (participates in β ladder)trans-95.9125.3172.1-66.7-104.7000108.1I162 W164 I198 Q203 I207 I226 F227 L228 H229I162-F200 HydrophobicContact CB-CD1 4.34Å; I162-F200 HydrophobicContact CB-CE1 4.49Å; I162-F200 HydrophobicContact CD1-CD1 4.4Å; I162-F200 HydrophobicContact CD1-CE1 3.78Å; I162-F200 HydrophobicContact CD1-CE2 4.33Å; I162-F200 HydrophobicContact CD1-CZ 3.74Å; W164-F200 AromaticContact CD1-CD1 3.87Å; W164-F200 AromaticContact CE2-CD1 3.9Å; W164-F200 HydrophobicContact CZ2-CD1 4.37Å; W164-F200 HydrophobicContact CZ2-CE1 4.12Å; W164-F200 AromaticContact NE1-CD1 3.24Å; W164-F200 AromaticContact NE1-CE1 3.6Å; I198-F200 HydrophobicContact CG2-CD2 4.25Å; I198-F200 HydrophobicContact CG2-CE2 3.59Å; I198-F200 HydrophobicContact CG2-CZ 4.25Å; F200-Q203 PolarHBondContact O-OE1 2.6Å; F200-I207 HydrophobicContact CD1-CD1 4.05Å; F200-I207 HydrophobicContact CE1-CD1 4.24Å; F200-I226 HydrophobicContact CD2-CG2 4.02Å; F200-I226 HydrophobicContact CE2-CG2 3.85Å; F200-F227 PolarHBondContact N-O 3.27Å; F200-L228 HydrophobicContact CB-CD2 3.65Å; F200-L228 HydrophobicContact CD2-CD2 3.78Å; F200-L228 HydrophobicContact CG-CD2 3.76Å; F200-H229 WeakPolarHBondContact O-CB 3.07Å; F200-H229 PolarHBondContact O-CD2 3.22Å; F200-H229 PolarHBondContact O-N 3.32Å
201V98Very high94.8Very high0 Ų036 Ų360%018%0.177CC..EExtended strand (participates in β ladder)trans-120.4152.1175.7-58.40000110I161 I162 D163 W164 Q203 H229 L233 L236 F249I161-V201 HydrophobicContact CG2-CG1 4.35Å; I161-V201 HydrophobicContact CG2-CG2 4.39Å; I162-V201 PolarHBondContact O-N 3.08Å; D163-V201 HydrophobicContact CB-CG2 4.02Å; W164-V201 WeakPolarHBondContact CB-O 3.12Å; W164-V201 PolarHBondContact N-O 3.03Å; V201-Q203 PolarHBondContact O-N 3.47Å; V201-Q203 VanDerWaalsContact O-N 3.08Å; V201-H229 HydrophobicContact CG1-CB 4.11Å; V201-L233 HydrophobicContact CB-CD2 4.03Å; V201-L233 HydrophobicContact CG1-CD2 3.94Å; V201-L236 HydrophobicContact CG1-CD2 4.1Å; V201-F249 HydrophobicContact CG2-CD1 3.97Å; V201-F249 HydrophobicContact CG2-CE1 3.93Å
202N96.7Very high94.6Very high33 Ų3340.5 Ų40.518%0.17621%0.205CC..SBendtrans54.129.1179.4-51.8-51.4000113.2D163 W164 S165 G230D163-N202 PolarHBondContact OD1-ND2 2.8Å; W164-N202 CarbonylContact C-O 3.59Å; W164-N202 WeakPolarHBondContact CB-O 3.34Å; S165-N202 WeakPolarHBondContact OG-CB 3.35Å; S165-N202 VanDerWaalsContact OG-CG 3.28Å; S165-N202 PolarHBondContact OG-ND2 3.36Å; N202-G230 PolarHBondContact N-O 2.96Å
203Q94Very high94.5Very high27 Ų2743 Ų4313%0.12622%0.221CC..  trans-74.4134-175.676.5-75.1-700112W164 F200 V201 I207 G230W164-Q203 HydrophobicContact CB-CB 4.06Å; W164-Q203 HydrophobicContact CD2-CB 4.41Å; W164-Q203 HydrophobicContact CG-CB 4.05Å; F200-Q203 PolarHBondContact O-OE1 2.6Å; V201-Q203 PolarHBondContact O-N 3.47Å; V201-Q203 VanDerWaalsContact O-N 3.08Å; Q203-I207 HydrophobicContact CB-CB 4.04Å; Q203-I207 HydrophobicContact CB-CD1 4.42Å; Q203-I207 HydrophobicContact CB-CG1 4.03Å; Q203-I207 HydrophobicContact CB-CG2 4.3Å; Q203-I207 HydrophobicContact CG-CB 3.86Å; Q203-I207 HydrophobicContact CG-CG1 3.9Å; Q203-I207 HydrophobicContact CG-CG2 3.58Å; Q203-G230 VanDerWaalsContact CD-N 3.29Å; Q203-G230 VanDerWaalsContact NE2-CA 3.27Å; Q203-G230 VanDerWaalsContact OE1-CA 3.25Å
204P92.4Very high94.5Very high33 Ų3343.5 Ų43.521%0.21422%0.221CC..  trans-76.9169.5-179.432.1-36.1000111.9W164 Y206 I207W164-P204 HydrophobicContact CE3-CG 4.03Å; P204-Y206 HydrophobicContact CB-CD1 4.09Å; P204-Y206 HydrophobicContact CB-CE1 3.68Å; P204-Y206 HydrophobicContact CB-CE2 4.26Å; P204-Y206 HydrophobicContact CG-CD1 4.11Å; P204-Y206 HydrophobicContact CG-CD2 3.83Å; P204-Y206 HydrophobicContact CG-CE1 3.61Å; P204-Y206 HydrophobicContact CG-CE2 3.27Å; P204-Y206 HydrophobicContact CG-CG 4.22Å; P204-Y206 WeakPolarHBondContact CG-OH 3.45Å; P204-Y206 PolarHBondContact O-N 3.41Å; P204-I207 WeakPolarHBondContact O-CB 3.04Å; P204-I207 VanDerWaalsContact O-CG2 3.29Å; P204-I207 WeakPolarHBondContact O-CG2 3.01Å; P204-I207 PolarHBondContact O-N 3.37Å
205W89.1Confident94.5Very high203 Ų20347.8 Ų47.877%0.76924%0.238SC*.THydrogen-bonded Turntrans-53.2-32-176.167.8-95.9000114.4I207W205-I207 PolarHBondContact O-N 3.41Å
206Y89.6Confident94.5Very high24 Ų2450.8 Ų50.89%0.09426%0.26CS..THydrogen-bonded Turntrans-77.1-1.6-178.851.5-102.7000114.4W164 F167 F169 A172 P204 H208 A209 L210W164-Y206 HydrophobicContact CE3-CE2 4.42Å; W164-Y206 HydrophobicContact CZ3-CD2 4.49Å; W164-Y206 AromaticContact CZ3-CE2 3.99Å; W164-Y206 HydrophobicContact CZ3-CE2 3.99Å; F167-Y206 PolarHBondContact O-OH 2.95Å; F169-Y206 HydrophobicContact CB-CE1 4.07Å; F169-Y206 AromaticContact CD2-CD1 3.82Å; F169-Y206 HydrophobicContact CD2-CD1 3.82Å; F169-Y206 HydrophobicContact CD2-CE1 4.05Å; F169-Y206 HydrophobicContact CD2-CG 4.09Å; F169-Y206 PolarHBondContact N-OH 3.24Å; F169-Y206 VanDerWaalsContact N-OH 3.17Å; A172-Y206 HydrophobicContact CB-CD2 4.11Å; A172-Y206 HydrophobicContact CB-CE2 3.66Å; P204-Y206 HydrophobicContact CB-CD1 4.09Å; P204-Y206 HydrophobicContact CB-CE1 3.68Å; P204-Y206 HydrophobicContact CB-CE2 4.26Å; P204-Y206 HydrophobicContact CG-CD1 4.11Å; P204-Y206 HydrophobicContact CG-CD2 3.83Å; P204-Y206 HydrophobicContact CG-CE1 3.61Å; P204-Y206 HydrophobicContact CG-CE2 3.27Å; P204-Y206 HydrophobicContact CG-CG 4.22Å; P204-Y206 WeakPolarHBondContact CG-OH 3.45Å; P204-Y206 PolarHBondContact O-N 3.41Å; Y206-H208 PolarHBondContact O-N 3.26Å; Y206-A209 PolarHBondContact O-N 3.43Å; Y206-L210 PolarHBondContact O-N 2.94Å
207I91.9Very high94.5Very high6 Ų652.5 Ų52.53%0.03126%0.262CS..Hα-helixtrans-57.6-33.5173.8-166.262.2000111.9W164 F200 Q203 P204 W205 A209 L210 Y211 L228W164-I207 HydrophobicContact CD2-CD1 4.24Å; W164-I207 HydrophobicContact CE3-CD1 4.26Å; W164-I207 HydrophobicContact CH2-CD1 3.79Å; W164-I207 HydrophobicContact CZ2-CD1 3.7Å; W164-I207 HydrophobicContact CZ3-CD1 4.02Å; F200-I207 HydrophobicContact CD1-CD1 4.05Å; F200-I207 HydrophobicContact CE1-CD1 4.24Å; Q203-I207 HydrophobicContact CB-CB 4.04Å; Q203-I207 HydrophobicContact CB-CD1 4.42Å; Q203-I207 HydrophobicContact CB-CG1 4.03Å; Q203-I207 HydrophobicContact CB-CG2 4.3Å; Q203-I207 HydrophobicContact CG-CB 3.86Å; Q203-I207 HydrophobicContact CG-CG1 3.9Å; Q203-I207 HydrophobicContact CG-CG2 3.58Å; P204-I207 WeakPolarHBondContact O-CB 3.04Å; P204-I207 VanDerWaalsContact O-CG2 3.29Å; P204-I207 WeakPolarHBondContact O-CG2 3.01Å; P204-I207 PolarHBondContact O-N 3.37Å; W205-I207 PolarHBondContact O-N 3.41Å; I207-A209 VanDerWaalsContact C-N 3.33Å; I207-A209 PolarHBondContact O-N 2.92Å; I207-L210 HydrophobicContact CD1-CD2 4.29Å; I207-L210 PolarHBondContact O-N 3.44Å; I207-Y211 WeakPolarHBondContact O-CB 3.47Å; I207-Y211 PolarHBondContact O-N 2.95Å; I207-L228 HydrophobicContact CG1-CD2 4.32Å
208H91.1Very high94.4Very high119 Ų11953.1 Ų53.155%0.55127%0.265SS*.Hα-helixtrans-67.7-35.3-178.7-67.5-70.2000112.1Y206 Y211 T212Y206-H208 PolarHBondContact O-N 3.26Å; H208-Y211 PolarHBondContact O-N 3.47Å; H208-T212 PolarHBondContact O-N 3.02Å; H208-T212 PolarHBondContact O-OG1 3.46Å
209A91.8Very high94.3Very high60 Ų6056.6 Ų56.650%0.49628%0.279SS..Hα-helixtrans-65.9-46173.200000110.3Y206 I207 Y211 T212 V213Y206-A209 PolarHBondContact O-N 3.43Å; I207-A209 VanDerWaalsContact C-N 3.33Å; I207-A209 PolarHBondContact O-N 2.92Å; A209-Y211 PolarHBondContact O-N 3.45Å; A209-T212 WeakPolarHBondContact O-CB 3.3Å; A209-T212 PolarHBondContact O-N 3.13Å; A209-V213 WeakPolarHBondContact O-CG2 3.43Å; A209-V213 PolarHBondContact O-N 3.3Å; A209-V213 VanDerWaalsContact O-N 3.1Å
210L92.1Very high94.2Very high29 Ų2961.4 Ų61.415%0.15230%0.301CS..Hα-helixtrans-62.3-42.3176-17565.4000112.2W164 L175 L180 Y206 I207 T212 V213 I214W164-L210 HydrophobicContact CH2-CD2 3.33Å; W164-L210 HydrophobicContact CZ2-CD2 3.9Å; W164-L210 HydrophobicContact CZ3-CD2 4.32Å; L175-L210 HydrophobicContact CB-CD1 4.27Å; L175-L210 HydrophobicContact CD1-CD1 4.17Å; L175-L210 HydrophobicContact CD1-CD2 3.75Å; L180-L210 HydrophobicContact CD1-CD1 3.45Å; L180-L210 VanDerWaalsContact CD1-CD1 3.45Å; Y206-L210 PolarHBondContact O-N 2.94Å; I207-L210 HydrophobicContact CD1-CD2 4.29Å; I207-L210 PolarHBondContact O-N 3.44Å; L210-T212 VanDerWaalsContact C-N 3.3Å; L210-T212 PolarHBondContact O-N 3.1Å; L210-V213 WeakPolarHBondContact O-CB 3.47Å; L210-V213 PolarHBondContact O-N 3.43Å; L210-V213 VanDerWaalsContact O-N 3.1Å; L210-I214 PolarHBondContact O-N 2.85Å
211Y93.4Very high94.1Very high59 Ų5965.9 Ų65.923%0.23132%0.321CS..Hα-helixtrans-59.6-43.1176.3-175.9-105.8000111.2I207 H208 A209 V213 I214 R215 L218 I226I207-Y211 WeakPolarHBondContact O-CB 3.47Å; I207-Y211 PolarHBondContact O-N 2.95Å; H208-Y211 PolarHBondContact O-N 3.47Å; A209-Y211 PolarHBondContact O-N 3.45Å; Y211-V213 VanDerWaalsContact C-N 3.28Å; Y211-V213 PolarHBondContact O-N 3.17Å; Y211-I214 HydrophobicContact CD2-CD1 4.28Å; Y211-I214 HydrophobicContact CD2-CG1 4.31Å; Y211-I214 WeakPolarHBondContact O-CG1 3.43Å; Y211-I214 PolarHBondContact O-N 3.32Å; Y211-R215 HydrophobicContact CE1-CG 4.46Å; Y211-R215 VanDerWaalsContact O-CB 3.27Å; Y211-R215 WeakPolarHBondContact O-CB 3.21Å; Y211-R215 PolarHBondContact O-N 3.33Å; Y211-L218 HydrophobicContact CE2-CD1 3.98Å; Y211-I226 HydrophobicContact CE2-CD1 4.03Å; Y211-I226 HydrophobicContact CE2-CG2 4.28Å
212T94.1Very high94Very high98 Ų9867.2 Ų67.260%0.60133%0.329SS*.Hα-helixtrans-58.4-39.8174.5-58.90000112H208 A209 L210 P216H208-T212 PolarHBondContact O-N 3.02Å; H208-T212 PolarHBondContact O-OG1 3.46Å; A209-T212 WeakPolarHBondContact O-CB 3.3Å; A209-T212 PolarHBondContact O-N 3.13Å; L210-T212 VanDerWaalsContact C-N 3.3Å; L210-T212 PolarHBondContact O-N 3.1Å; T212-P216 WeakPolarHBondContact O-CD 3.36Å
213V94.4Very high94Very high56 Ų5668.6 Ų68.634%0.33933%0.331SS..Hα-helixtrans-65-41.2176.8170.70000112P177 L180 A209 L210 Y211 P216 F217P177-V213 HydrophobicContact CB-CG1 4Å; P177-V213 HydrophobicContact CG-CG1 3.82Å; L180-V213 HydrophobicContact CD1-CG1 4.16Å; A209-V213 WeakPolarHBondContact O-CG2 3.43Å; A209-V213 PolarHBondContact O-N 3.3Å; A209-V213 VanDerWaalsContact O-N 3.1Å; L210-V213 WeakPolarHBondContact O-CB 3.47Å; L210-V213 PolarHBondContact O-N 3.43Å; L210-V213 VanDerWaalsContact O-N 3.1Å; Y211-V213 VanDerWaalsContact C-N 3.28Å; Y211-V213 PolarHBondContact O-N 3.17Å; V213-P216 WeakPolarHBondContact O-CD 3.46Å; V213-F217 WeakPolarHBondContact O-CE2 3.17Å
214I95.1Very high94.1Very high21 Ų2174.4 Ų74.411%0.10836%0.357CS..Hα-helixtrans-86.2-23.4-17765.5172.3000114L180 I184 L210 Y211 P216 F217 L218L180-I214 HydrophobicContact CB-CG2 3.79Å; L180-I214 HydrophobicContact CD1-CG2 3.64Å; L180-I214 HydrophobicContact CD2-CG2 4.32Å; L180-I214 HydrophobicContact CG-CG2 4.12Å; I184-I214 HydrophobicContact CD1-CB 3.75Å; I184-I214 HydrophobicContact CD1-CG2 4.08Å; L210-I214 PolarHBondContact O-N 2.85Å; Y211-I214 HydrophobicContact CD2-CD1 4.28Å; Y211-I214 HydrophobicContact CD2-CG1 4.31Å; Y211-I214 WeakPolarHBondContact O-CG1 3.43Å; Y211-I214 PolarHBondContact O-N 3.32Å; I214-P216 VanDerWaalsContact C-N 3.3Å; I214-P216 VanDerWaalsContact O-N 3.16Å; I214-F217 WeakPolarHBondContact O-CB 3.49Å; I214-F217 PolarHBondContact O-N 2.83Å; I214-L218 HydrophobicContact CD1-CD1 4.03Å; I214-L218 HydrophobicContact CG1-CD1 4.01Å; I214-L218 PolarHBondContact O-N 3.18Å
215R95.5Very high94.4Very high131 Ų13176.5 Ų76.549%0.49436%0.36SS..G310 helixtrans-50-41-175.9-175177.2-175.7-1004.4113.7Y211 F217 L218 R223Y211-R215 HydrophobicContact CE1-CG 4.46Å; Y211-R215 VanDerWaalsContact O-CB 3.27Å; Y211-R215 WeakPolarHBondContact O-CB 3.21Å; Y211-R215 PolarHBondContact O-N 3.33Å; R215-F217 PolarHBondContact O-N 3.11Å; R215-L218 PolarHBondContact O-N 3.4Å; R215-R223 PolarHBondContact O-NE 2.81Å; R215-R223 PolarHBondContact O-NH2 2.81Å
216P96.4Very high94.8Very high93 Ų9368 Ų6860%0.60433%0.329SS*.G310 helixtrans-60.7-26.7176.2-25.136.1000114.6T212 V213 I214T212-P216 WeakPolarHBondContact O-CD 3.36Å; V213-P216 WeakPolarHBondContact O-CD 3.46Å; I214-P216 VanDerWaalsContact C-N 3.3Å; I214-P216 VanDerWaalsContact O-N 3.16Å
217F96.4Very high95.1Very high58 Ų5870 Ų7025%0.25434%0.339SS..G310 helixtrans-90-14.9-179.5-46.4-48.1000112.8R181 I184 Q188 V213 I214 R215R181-F217 HydrophobicContact CB-CD1 4.28Å; R181-F217 HydrophobicContact CB-CD2 3.9Å; R181-F217 HydrophobicContact CB-CE1 4.32Å; R181-F217 HydrophobicContact CB-CE2 3.93Å; R181-F217 HydrophobicContact CB-CG 4.09Å; R181-F217 HydrophobicContact CB-CZ 4.14Å; R181-F217 HydrophobicContact CG-CD1 3.99Å; R181-F217 HydrophobicContact CG-CD2 4.43Å; R181-F217 HydrophobicContact CG-CE1 4.22Å; R181-F217 HydrophobicContact CG-CG 4.11Å; I184-F217 HydrophobicContact CD1-CB 3.96Å; I184-F217 HydrophobicContact CD1-CD2 4.36Å; I184-F217 HydrophobicContact CG2-CB 4.17Å; I184-F217 WeakPolarHBondContact CG2-O 3.35Å; Q188-F217 PolarHBondContact NE2-O 2.93Å; V213-F217 WeakPolarHBondContact O-CE2 3.17Å; I214-F217 WeakPolarHBondContact O-CB 3.49Å; I214-F217 PolarHBondContact O-N 2.83Å; R215-F217 PolarHBondContact O-N 3.11Å
218L96.6Very high95.3Very high12 Ų1272.9 Ų72.96%0.06335%0.354CS..SBendtrans-85.3129.6-178.1-63.9174.4000111.8I184 Y211 I214 R215 T222 R223 I226I184-L218 HydrophobicContact CD1-CD2 3.94Å; I184-L218 HydrophobicContact CD1-CG 4.4Å; I184-L218 HydrophobicContact CG1-CD2 4.18Å; I184-L218 HydrophobicContact CG2-CD2 4.09Å; Y211-L218 HydrophobicContact CE2-CD1 3.98Å; I214-L218 HydrophobicContact CD1-CD1 4.03Å; I214-L218 HydrophobicContact CG1-CD1 4.01Å; I214-L218 PolarHBondContact O-N 3.18Å; R215-L218 PolarHBondContact O-N 3.4Å; L218-T222 HydrophobicContact CD2-CG2 3.86Å; L218-R223 HydrophobicContact CB-CG 3.68Å; L218-R223 HydrophobicContact CD1-CG 4.25Å; L218-R223 PolarHBondContact O-NE 2.88Å; L218-R223 VanDerWaalsContact O-NE 3.07Å; L218-R223 PolarHBondContact O-NH2 3.3Å; L218-I226 HydrophobicContact CD1-CD1 3.45Å; L218-I226 VanDerWaalsContact CD1-CD1 3.45Å; L218-I226 HydrophobicContact CD2-CD1 4.28Å; L218-I226 HydrophobicContact CG-CD1 4.5Å
219K96.1Very high95.6Very high102 Ų10268 Ų6844%0.44333%0.331SS..  trans-69152.5167-74.7171.6178.7171.50110.5Q188 D189 K221 T222 R223Q188-K219 HydrophobicContact CG-CD 4.23Å; D189-K219 WeakPolarHBondContact OD1-CE 3.18Å; D189-K219 IonicContact OD1-NZ 3.44Å; D189-K219 PolarHBondContact OD1-NZ 3.31Å; K219-K221 PolarHBondContact O-N 2.69Å; K219-T222 WeakPolarHBondContact O-CA 3.44Å; K219-T222 WeakPolarHBondContact O-CB 3.47Å; K219-T222 PolarHBondContact O-N 2.66Å; K219-R223 PolarHBondContact O-N 2.86Å
220E96.6Very high95.7Very high104 Ų10466 Ų6649%0.48632%0.316SS..Hα-helixtrans-53.4-41.7-178.9-173.758.5-16000113T222 R223 K224E220-T222 VanDerWaalsContact C-N 3.3Å; E220-T222 PolarHBondContact O-N 3.31Å; E220-R223 PolarHBondContact O-N 3.31Å; E220-R223 IonicContact OE2-NH1 3.54Å; E220-K224 WeakPolarHBondContact O-CG 3.5Å; E220-K224 PolarHBondContact O-N 3.33Å; E220-K224 VanDerWaalsContact O-N 3.12Å; E220-K224 WeakPolarHBondContact OE1-CE 3.3Å; E220-K224 IonicContact OE1-NZ 3.53Å
221K94.5Very high95.7Very high116 Ų11671.1 Ų71.150%0.50434%0.344SS..Hα-helixtrans-60.3-37.7176.1-175.6179.6176.8-174.80112.8K219 R225K219-K221 PolarHBondContact O-N 2.69Å; K221-R225 VanDerWaalsContact CE-CZ 3.42Å; K221-R225 WeakPolarHBondContact O-CD 3.35Å; K221-R225 VanDerWaalsContact O-CG 3.32Å; K221-R225 WeakPolarHBondContact O-CG 3.39Å
222T95.8Very high95.6Very high27 Ų2772.2 Ų72.217%0.16635%0.354CS..Hα-helixtrans-74.8-41.1179.1-49.50000110.8Q188 I198 L218 K219 E220 K224 R225 I226Q188-T222 VanDerWaalsContact OE1-CB 3.23Å; Q188-T222 PolarHBondContact OE1-OG1 3.15Å; I198-T222 HydrophobicContact CD1-CG2 4.16Å; L218-T222 HydrophobicContact CD2-CG2 3.86Å; K219-T222 WeakPolarHBondContact O-CA 3.44Å; K219-T222 WeakPolarHBondContact O-CB 3.47Å; K219-T222 PolarHBondContact O-N 2.66Å; E220-T222 VanDerWaalsContact C-N 3.3Å; E220-T222 PolarHBondContact O-N 3.31Å; T222-K224 VanDerWaalsContact C-N 3.3Å; T222-K224 PolarHBondContact O-N 2.99Å; T222-R225 CarbonylContact O-C 3.59Å; T222-R225 WeakPolarHBondContact O-CA 3.36Å; T222-R225 PolarHBondContact O-N 2.68Å; T222-I226 PolarHBondContact O-N 3.01Å
223R96.5Very high95.6Very high62 Ų6269.2 Ų69.223%0.23433%0.334CS..Hα-helixtrans-55.3-45.8175.2-65.1177.8-173165.1-1.3111.7R215 L218 K219 E220 R225 I226R215-R223 PolarHBondContact O-NE 2.81Å; R215-R223 PolarHBondContact O-NH2 2.81Å; L218-R223 HydrophobicContact CB-CG 3.68Å; L218-R223 HydrophobicContact CD1-CG 4.25Å; L218-R223 PolarHBondContact O-NE 2.88Å; L218-R223 VanDerWaalsContact O-NE 3.07Å; L218-R223 PolarHBondContact O-NH2 3.3Å; K219-R223 PolarHBondContact O-N 2.86Å; E220-R223 PolarHBondContact O-N 3.31Å; E220-R223 IonicContact OE2-NH1 3.54Å; R223-R225 PolarHBondContact O-N 3.08Å; R223-R225 VanDerWaalsContact O-N 3.11Å; R223-I226 PolarHBondContact O-N 3.12Å; R223-I226 VanDerWaalsContact O-N 3.16Å
224K97.2Very high95.7Very high150 Ų15071.7 Ų71.765%0.65235%0.345SS*.THydrogen-bonded Turntrans-65.4-10.5176.3-68.3-177-176.9-174.70114.8E220 T222E220-K224 WeakPolarHBondContact O-CG 3.5Å; E220-K224 PolarHBondContact O-N 3.33Å; E220-K224 VanDerWaalsContact O-N 3.12Å; E220-K224 WeakPolarHBondContact OE1-CE 3.3Å; E220-K224 IonicContact OE1-NZ 3.53Å; T222-K224 VanDerWaalsContact C-N 3.3Å; T222-K224 PolarHBondContact O-N 2.99Å
225R97.3Very high95.7Very high76 Ų7672.1 Ų72.129%0.28735%0.35SS..THydrogen-bonded Turntrans-109.62.7-179.8-69.9175.7173.7-167.2-7.9112.4F195 G197 I198 K221 T222 R223 F227F195-R225 VanDerWaalsContact O-CD 3.24Å; F195-R225 WeakPolarHBondContact O-CD 3.43Å; F195-R225 VanDerWaalsContact O-CZ 3.31Å; F195-R225 PolarHBondContact O-NH1 3.15Å; G197-R225 CarbonylContact C-O 3.52Å; G197-R225 WeakPolarHBondContact CA-O 3.49Å; I198-R225 PolarHBondContact N-O 2.98Å; K221-R225 VanDerWaalsContact CE-CZ 3.42Å; K221-R225 WeakPolarHBondContact O-CD 3.35Å; K221-R225 VanDerWaalsContact O-CG 3.32Å; K221-R225 WeakPolarHBondContact O-CG 3.39Å; T222-R225 CarbonylContact O-C 3.59Å; T222-R225 WeakPolarHBondContact O-CA 3.36Å; T222-R225 PolarHBondContact O-N 2.68Å; R223-R225 PolarHBondContact O-N 3.08Å; R223-R225 VanDerWaalsContact O-N 3.11Å; R225-F227 VanDerWaalsContact O-CD2 3.3Å; R225-F227 WeakPolarHBondContact O-CD2 3.49Å; R225-F227 VanDerWaalsContact O-CE2 3.3Å; R225-F227 WeakPolarHBondContact O-CE2 3.4Å
226I97.5Very high95.8Very high24 Ų2465.9 Ų65.912%0.12333%0.327CS..EExtended strand (participates in β ladder)trans-92.2124.6172.5-69.7167000108.1I198 F200 Y211 L218 T222 R223 L228I198-I226 HydrophobicContact CB-CG1 4.23Å; I198-I226 HydrophobicContact CD1-CG1 4.26Å; I198-I226 CarbonylContact O-C 3.57Å; I198-I226 WeakPolarHBondContact O-CA 3.26Å; F200-I226 HydrophobicContact CD2-CG2 4.02Å; F200-I226 HydrophobicContact CE2-CG2 3.85Å; Y211-I226 HydrophobicContact CE2-CD1 4.03Å; Y211-I226 HydrophobicContact CE2-CG2 4.28Å; L218-I226 HydrophobicContact CD1-CD1 3.45Å; L218-I226 VanDerWaalsContact CD1-CD1 3.45Å; L218-I226 HydrophobicContact CD2-CD1 4.28Å; L218-I226 HydrophobicContact CG-CD1 4.5Å; T222-I226 PolarHBondContact O-N 3.01Å; R223-I226 PolarHBondContact O-N 3.12Å; R223-I226 VanDerWaalsContact O-N 3.16Å; I226-L228 HydrophobicContact CG2-CD2 4.24Å
227F97.1Very high95.9Very high67 Ų6763.3 Ų63.329%0.29431%0.306SS..EExtended strand (participates in β ladder)trans-119.9128.2179.5-57-82.8000109.1I198 H199 F200 R225 H229 L239I198-F227 PolarHBondContact O-N 3.01Å; H199-F227 AromaticContact CE1-CD2 3.46Å; H199-F227 VanDerWaalsContact CE1-CD2 3.46Å; H199-F227 WeakPolarHBondContact CE1-CD2 3.35Å; H199-F227 AromaticContact CE1-CE2 3.99Å; H199-F227 AromaticContact ND1-CD2 3.71Å; F200-F227 PolarHBondContact N-O 3.27Å; R225-F227 VanDerWaalsContact O-CD2 3.3Å; R225-F227 WeakPolarHBondContact O-CD2 3.49Å; R225-F227 VanDerWaalsContact O-CE2 3.3Å; R225-F227 WeakPolarHBondContact O-CE2 3.4Å; F227-H229 WeakPolarHBondContact CB-NE2 3.19Å; F227-L239 HydrophobicContact CD1-CD1 3.87Å; F227-L239 HydrophobicContact CD2-CD1 4.28Å; F227-L239 HydrophobicContact CE1-CD1 4.03Å; F227-L239 HydrophobicContact CE2-CD1 4.43Å; F227-L239 HydrophobicContact CG-CD1 4Å; F227-L239 HydrophobicContact CZ-CD1 4.31Å
228L96.5Very high95.9Very high66 Ų6668.1 Ų68.135%0.34633%0.33SS..EExtended strand (participates in β ladder)trans-108.1103.5177.3-59.6-174.3000108.3F200 I207 I226F200-L228 HydrophobicContact CB-CD2 3.65Å; F200-L228 HydrophobicContact CD2-CD2 3.78Å; F200-L228 HydrophobicContact CG-CD2 3.76Å; I207-L228 HydrophobicContact CG1-CD2 4.32Å; I226-L228 HydrophobicContact CG2-CD2 4.24Å
229H96.7Very high95.9Very high17 Ų1770.5 Ų70.58%0.07934%0.342CS..EExtended strand (participates in β ladder)trans-88.4-21.1-172-64.6-69.3000113.5H199 F200 V201 F227 N232 S235 L236H199-H229 AromaticContact CG-NE2 3.61Å; H199-H229 AromaticContact ND1-CD2 3.99Å; H199-H229 AromaticContact ND1-CE1 3.76Å; H199-H229 AromaticContact ND1-NE2 2.91Å; H199-H229 PolarHBondContact ND1-NE2 3.03Å; F200-H229 WeakPolarHBondContact O-CB 3.07Å; F200-H229 PolarHBondContact O-CD2 3.22Å; F200-H229 PolarHBondContact O-N 3.32Å; V201-H229 HydrophobicContact CG1-CB 4.11Å; F227-H229 WeakPolarHBondContact CB-NE2 3.19Å; H229-N232 PolarHBondContact O-N 2.88Å; H229-S235 WeakPolarHBondContact CB-OG 3.3Å; H229-S235 PolarHBondContact CE1-O 3.25Å; H229-S235 VanDerWaalsContact CE1-O 3.31Å; H229-S235 VanDerWaalsContact ND1-C 3.33Å; H229-S235 PolarHBondContact ND1-OG 3.37Å; H229-L236 PolarHBondContact ND1-N 3.44Å
230G94.3Very high96Very high18 Ų1865.7 Ų65.719%0.18632%0.321CS..EExtended strand (participates in β ladder)trans65.4-142.8-173.600000109.3N202 Q203 N232N202-G230 PolarHBondContact N-O 2.96Å; Q203-G230 VanDerWaalsContact CD-N 3.29Å; Q203-G230 VanDerWaalsContact NE2-CA 3.27Å; Q203-G230 VanDerWaalsContact OE1-CA 3.25Å; G230-N232 VanDerWaalsContact C-N 3.27Å
231N92.4Very high96Very high136 Ų13664.9 Ų64.973%0.72732%0.317SS*.THydrogen-bonded Turntrans-86.92.4175.8-57.6-23.1000112.6L233N231-L233 PolarHBondContact O-N 3.22Å
232N90.2Very high96.1Very high83 Ų8360.8 Ų60.844%0.44430%0.302SS..  trans-9687.8-177.6-177.814.3000111.3H229 G230 N234 S235H229-N232 PolarHBondContact O-N 2.88Å; G230-N232 VanDerWaalsContact C-N 3.27Å; N232-N234 PolarHBondContact O-N 3.19Å; N232-N234 VanDerWaalsContact OD1-CB 3.28Å; N232-N234 WeakPolarHBondContact OD1-CB 3.25Å; N232-N234 PolarHBondContact OD1-N 3.15Å; N232-N234 PolarHBondContact OD1-ND2 3.43Å; N232-N234 VanDerWaalsContact OD1-ND2 3.17Å; N232-S235 PolarHBondContact O-N 2.95Å; N232-S235 PolarHBondContact O-OG 3.04Å
233L94.4Very high96.2Very high35 Ų3564.2 Ų64.218%0.18332%0.317CS..THydrogen-bonded Turntrans-64.3-18178.7-63174.7000113.6V201 N231 S235 L236 H237V201-L233 HydrophobicContact CB-CD2 4.03Å; V201-L233 HydrophobicContact CG1-CD2 3.94Å; N231-L233 PolarHBondContact O-N 3.22Å; L233-S235 PolarHBondContact O-N 3.36Å; L233-L236 HydrophobicContact CD2-CD2 4.4Å; L233-L236 WeakPolarHBondContact O-CA 3.5Å; L233-L236 VanDerWaalsContact O-CB 3.27Å; L233-L236 WeakPolarHBondContact O-CB 3.5Å; L233-L236 PolarHBondContact O-N 3.21Å; L233-H237 PolarHBondContact O-CD2 3.22Å; L233-H237 VanDerWaalsContact O-CG 3.27Å; L233-H237 PolarHBondContact O-N 3.44Å
234N95.6Very high96.2Very high107 Ų10762.5 Ų62.557%0.57231%0.312SS*.Hα-helixtrans-59.9-33.7174.5-61.7-49.4000112N232 L236 H237 Q238N232-N234 PolarHBondContact O-N 3.19Å; N232-N234 VanDerWaalsContact OD1-CB 3.28Å; N232-N234 WeakPolarHBondContact OD1-CB 3.25Å; N232-N234 PolarHBondContact OD1-N 3.15Å; N232-N234 PolarHBondContact OD1-ND2 3.43Å; N232-N234 VanDerWaalsContact OD1-ND2 3.17Å; N234-L236 VanDerWaalsContact C-N 3.29Å; N234-L236 PolarHBondContact O-N 2.89Å; N234-H237 PolarHBondContact O-N 2.89Å; N234-Q238 WeakPolarHBondContact O-CG 3.47Å; N234-Q238 PolarHBondContact O-N 2.92Å
235S96.8Very high96.3Very high30 Ų3055.4 Ų55.421%0.2128%0.281CS..Hα-helixtrans-69.9-26.8176.367.70000112.7H229 N232 L233H229-S235 WeakPolarHBondContact CB-OG 3.3Å; H229-S235 PolarHBondContact CE1-O 3.25Å; H229-S235 VanDerWaalsContact CE1-O 3.31Å; H229-S235 VanDerWaalsContact ND1-C 3.33Å; H229-S235 PolarHBondContact ND1-OG 3.37Å; N232-S235 PolarHBondContact O-N 2.95Å; N232-S235 PolarHBondContact O-OG 3.04Å; L233-S235 PolarHBondContact O-N 3.36Å
236L97.7Very high96.3Very high0 Ų052 Ų520%027%0.268CS..Hα-helixtrans-71-45.3168.1178.872.4000109.8H199 V201 H229 L233 N234 Q238 L239 I240 L245 F249H199-L236 HydrophobicContact CB-CD1 3.75Å; V201-L236 HydrophobicContact CG1-CD2 4.1Å; H229-L236 PolarHBondContact ND1-N 3.44Å; L233-L236 HydrophobicContact CD2-CD2 4.4Å; L233-L236 WeakPolarHBondContact O-CA 3.5Å; L233-L236 VanDerWaalsContact O-CB 3.27Å; L233-L236 WeakPolarHBondContact O-CB 3.5Å; L233-L236 PolarHBondContact O-N 3.21Å; N234-L236 VanDerWaalsContact C-N 3.29Å; N234-L236 PolarHBondContact O-N 2.89Å; L236-Q238 PolarHBondContact O-N 3.31Å; L236-L239 CarbonylContact O-C 3.52Å; L236-L239 WeakPolarHBondContact O-CA 3.24Å; L236-L239 PolarHBondContact O-N 2.64Å; L236-I240 HydrophobicContact CD1-CD1 3.88Å; L236-I240 HydrophobicContact CD1-CG1 4.43Å; L236-I240 PolarHBondContact O-N 3.09Å; L236-L245 HydrophobicContact CD2-CD1 4Å; L236-F249 HydrophobicContact CD2-CB 4.13Å
237H97.8Very high96.3Very high39 Ų3953.5 Ų53.518%0.18128%0.282CS..Hα-helixtrans-64.3-24.8-176.4-60161.9000114.1L233 N234 L239 I240 F249 G250L233-H237 PolarHBondContact O-CD2 3.22Å; L233-H237 VanDerWaalsContact O-CG 3.27Å; L233-H237 PolarHBondContact O-N 3.44Å; N234-H237 PolarHBondContact O-N 2.89Å; H237-L239 PolarHBondContact O-N 3.4Å; H237-I240 VanDerWaalsContact CA-O 3.24Å; H237-I240 WeakPolarHBondContact CA-O 3.3Å; H237-F249 PolarHBondContact NE2-O 3.04Å; H237-G250 PolarHBondContact CE1-O 3.07Å; H237-G250 VanDerWaalsContact CE1-O 3.25Å
238Q96.3Very high96.3Very high160 Ų16053 Ų5375%0.74828%0.28SS*.THydrogen-bonded Turntrans-65.9-22.9169.6-73.3173.77.500113.5N234 L236N234-Q238 WeakPolarHBondContact O-CG 3.47Å; N234-Q238 PolarHBondContact O-N 2.92Å; L236-Q238 PolarHBondContact O-N 3.31Å
239L96.6Very high96.3Very high62 Ų6249.9 Ų49.933%0.32526%0.264SS..THydrogen-bonded Turntrans-110.6-23.8-176.2-59.7179.1000113.1H113 F227 L236 H237H113-L239 PolarHBondContact CE1-O 2.93Å; F227-L239 HydrophobicContact CD1-CD1 3.87Å; F227-L239 HydrophobicContact CD2-CD1 4.28Å; F227-L239 HydrophobicContact CE1-CD1 4.03Å; F227-L239 HydrophobicContact CE2-CD1 4.43Å; F227-L239 HydrophobicContact CG-CD1 4Å; F227-L239 HydrophobicContact CZ-CD1 4.31Å; L236-L239 CarbonylContact O-C 3.52Å; L236-L239 WeakPolarHBondContact O-CA 3.24Å; L236-L239 PolarHBondContact O-N 2.64Å; H237-L239 PolarHBondContact O-N 3.4Å
240I97.5Very high96.3Very high0 Ų050.9 Ų50.90%028%0.278CS..SBendtrans-141.7119.6178.8-50.8176.6000108.4D112 I118 V159 I161 L236 H237 I244 L245D112-I240 HydrophobicContact CB-CG2 4.47Å; I118-I240 HydrophobicContact CD1-CG2 3.93Å; V159-I240 HydrophobicContact CG1-CD1 3.64Å; I161-I240 HydrophobicContact CD1-CD1 3.69Å; I161-I240 HydrophobicContact CG1-CD1 3.98Å; L236-I240 HydrophobicContact CD1-CD1 3.88Å; L236-I240 HydrophobicContact CD1-CG1 4.43Å; L236-I240 PolarHBondContact O-N 3.09Å; H237-I240 VanDerWaalsContact CA-O 3.24Å; H237-I240 WeakPolarHBondContact CA-O 3.3Å; I240-I244 HydrophobicContact CG2-CD1 4.11Å; I240-L245 HydrophobicContact CB-CD1 4.35Å; I240-L245 HydrophobicContact CG2-CD1 4.06Å; I240-L245 HydrophobicContact CG2-CD2 3.95Å; I240-L245 HydrophobicContact CG2-CG 4.1Å
241H97.3Very high96.4Very high88 Ų8850.8 Ų50.841%0.40728%0.278SS..  trans-62.5137-174.7-65.5174.6000112.8H113 E243 I244H113-H241 AromaticContact CE1-CD2 3.97Å; H113-H241 AromaticContact CE1-NE2 3.93Å; H113-H241 AromaticContact CG-CE1 3.91Å; H113-H241 AromaticContact ND1-CD2 3.87Å; H113-H241 AromaticContact ND1-CG 3.98Å; H113-H241 AromaticContact ND1-NE2 3.89Å; H241-E243 VanDerWaalsContact C-N 3.31Å; H241-E243 WeakPolarHBondContact CB-OE2 3.45Å; H241-E243 PolarHBondContact O-N 3.01Å; H241-I244 WeakPolarHBondContact O-CG1 3.24Å
242P97.2Very high96.7Very high29 Ų2950.9 Ų50.919%0.18828%0.275CS..G310 helixtrans-69.6-22.2-174.427-34.7000114.4I244 L245 G251 M252P242-I244 PolarHBondContact O-N 2.85Å; P242-I244 VanDerWaalsContact O-N 3.15Å; P242-L245 PolarHBondContact O-N 3.36Å; P242-L245 VanDerWaalsContact O-N 3.14Å; P242-G251 CarbonylContact O-C 3.55Å; P242-G251 WeakPolarHBondContact O-CA 3.37Å; P242-M252 PolarHBondContact O-N 2.77Å
243E97.7Very high97Very high100 Ų10049.6 Ų49.647%0.46727%0.268SS..G310 helixtrans-61.3-24.7-178.3-6477.3-172.600113H241 M252H241-E243 VanDerWaalsContact C-N 3.31Å; H241-E243 WeakPolarHBondContact CB-OE2 3.45Å; H241-E243 PolarHBondContact O-N 3.01Å; E243-M252 HydrophobicContact CB-SD 4.48Å; E243-M252 HydrophobicContact CG-CE 4.09Å; E243-M252 HydrophobicContact CG-SD 3.9Å
244I97.3Very high97.2Very high26 Ų2652.7 Ų52.713%0.13329%0.29CS..G310 helixtrans-104.53.2-177.659.4165.7000113.2N110 L111 D112 I118 I240 H241 P242 L253N110-I244 HydrophobicContact CB-CB 3.82Å; N110-I244 HydrophobicContact CB-CG2 3.93Å; L111-I244 VanDerWaalsContact O-CD1 3.23Å; L111-I244 WeakPolarHBondContact O-CD1 3.47Å; D112-I244 HydrophobicContact CB-CD1 4.09Å; I118-I244 HydrophobicContact CD1-CD1 3.72Å; I240-I244 HydrophobicContact CG2-CD1 4.11Å; H241-I244 WeakPolarHBondContact O-CG1 3.24Å; P242-I244 PolarHBondContact O-N 2.85Å; P242-I244 VanDerWaalsContact O-N 3.15Å; I244-L253 VanDerWaalsContact C-CD1 3.46Å; I244-L253 VanDerWaalsContact O-CD1 3.27Å; I244-L253 WeakPolarHBondContact O-CD1 3.29Å
245L98.2Very high97.2Very high0 Ų051.9 Ų51.90%029%0.291CS..SBendtrans-103.1144-176.4-70.7178.4000111.5L108 I118 I161 L236 I240 P242 F249 G251 M252 L253L108-L245 HydrophobicContact CD1-CD2 3.98Å; I118-L245 HydrophobicContact CD1-CD2 4.35Å; I161-L245 HydrophobicContact CD1-CD2 3.77Å; L236-L245 HydrophobicContact CD2-CD1 4Å; I240-L245 HydrophobicContact CB-CD1 4.35Å; I240-L245 HydrophobicContact CG2-CD1 4.06Å; I240-L245 HydrophobicContact CG2-CD2 3.95Å; I240-L245 HydrophobicContact CG2-CG 4.1Å; P242-L245 PolarHBondContact O-N 3.36Å; P242-L245 VanDerWaalsContact O-N 3.14Å; L245-F249 HydrophobicContact CB-CB 4.27Å; L245-F249 HydrophobicContact CD1-CB 4.25Å; L245-G251 CarbonylContact O-C 3.18Å; L245-G251 VanDerWaalsContact O-CA 3.24Å; L245-G251 WeakPolarHBondContact O-CA 3.35Å; L245-M252 PolarHBondContact O-N 3.5Å; L245-L253 VanDerWaalsContact O-CB 3.31Å; L245-L253 WeakPolarHBondContact O-CB 3.26Å; L245-L253 PolarHBondContact O-N 3.47Å
246P97.9Very high97.3Very high4 Ų451.6 Ų51.63%0.02629%0.285CS..BIsolated β-bridgetrans-59158.9165.9-24.932.6000113.6L108 E248 F249 G251 Y256L108-P246 HydrophobicContact CD1-CG 4.36Å; L108-P246 HydrophobicContact CD2-CG 3.65Å; P246-E248 WeakPolarHBondContact CB-OE2 3.48Å; P246-E248 PolarHBondContact O-N 2.99Å; P246-F249 HydrophobicContact CB-CD2 4.22Å; P246-F249 HydrophobicContact CG-CD2 4.22Å; P246-F249 HydrophobicContact CG-CE2 4.49Å; P246-F249 PolarHBondContact O-N 3.25Å; P246-G251 PolarHBondContact O-N 2.63Å; P246-G251 VanDerWaalsContact O-N 3.14Å; P246-Y256 HydrophobicContact CG-CD2 4.31Å
247S97.3Very high97.2Very high57 Ų5755.3 Ų55.340%0.39931%0.305SS..G310 helixtrans-58.3-29.6-179.564.20000114.5F249 G250 L253 P255S247-F249 PolarHBondContact O-N 3.24Å; S247-G250 PolarHBondContact O-N 3.35Å; S247-L253 PolarHBondContact N-O 3.24Å; S247-L253 VanDerWaalsContact N-O 3.09Å; S247-P255 WeakPolarHBondContact OG-CG 3.49Å
248E96.6Very high97.1Very high57 Ų5755.4 Ų55.427%0.26631%0.306SS..G310 helixtrans-62.2-27.4177-62.288.1158.200112F122 P246 P255 Y256F122-E248 HydrophobicContact CE1-CB 3.84Å; F122-E248 HydrophobicContact CE1-CG 3.9Å; F122-E248 HydrophobicContact CZ-CB 4.43Å; F122-E248 HydrophobicContact CZ-CG 4.42Å; P246-E248 WeakPolarHBondContact CB-OE2 3.48Å; P246-E248 PolarHBondContact O-N 2.99Å; E248-P255 WeakPolarHBondContact OE1-CA 3.4Å; E248-P255 WeakPolarHBondContact OE1-CB 3.41Å; E248-P255 WeakPolarHBondContact OE2-CA 3.47Å; E248-Y256 PolarHBondContact OE1-N 3.36Å; E248-Y256 PolarHBondContact OE2-N 3.2Å
249F97.5Very high97Very high0 Ų047.9 Ų47.90%027%0.271CS..G310 helixtrans-100.817.9176.2-54.4-66.6000112.2V120 F122 I161 D163 V201 L236 H237 L245 P246 S247 G251V120-F249 HydrophobicContact CB-CE2 4.04Å; V120-F249 HydrophobicContact CB-CZ 4.02Å; V120-F249 HydrophobicContact CG1-CE2 3.61Å; V120-F249 HydrophobicContact CG1-CZ 3.92Å; F122-F249 HydrophobicContact CE1-CE2 4.06Å; F122-F249 AromaticContact CE1-CZ 3.77Å; F122-F249 HydrophobicContact CE1-CZ 3.77Å; F122-F249 HydrophobicContact CE2-CZ 4.46Å; F122-F249 AromaticContact CZ-CE2 3.68Å; F122-F249 HydrophobicContact CZ-CE2 3.68Å; F122-F249 AromaticContact CZ-CZ 3.73Å; F122-F249 HydrophobicContact CZ-CZ 3.73Å; I161-F249 HydrophobicContact CB-CE1 4.35Å; I161-F249 HydrophobicContact CG2-CD1 3.7Å; I161-F249 HydrophobicContact CG2-CE1 3.42Å; I161-F249 VanDerWaalsContact CG2-CE1 3.42Å; I161-F249 HydrophobicContact CG2-CZ 4.05Å; D163-F249 HydrophobicContact CB-CE1 3.89Å; D163-F249 HydrophobicContact CB-CZ 4.33Å; V201-F249 HydrophobicContact CG2-CD1 3.97Å; V201-F249 HydrophobicContact CG2-CE1 3.93Å; L236-F249 HydrophobicContact CD2-CB 4.13Å; H237-F249 PolarHBondContact NE2-O 3.04Å; L245-F249 HydrophobicContact CB-CB 4.27Å; L245-F249 HydrophobicContact CD1-CB 4.25Å; P246-F249 HydrophobicContact CB-CD2 4.22Å; P246-F249 HydrophobicContact CG-CD2 4.22Å; P246-F249 HydrophobicContact CG-CE2 4.49Å; P246-F249 PolarHBondContact O-N 3.25Å; S247-F249 PolarHBondContact O-N 3.24Å; F249-G251 PolarHBondContact O-N 3.17Å
250G95.9Very high96.9Very high37 Ų3747.3 Ų47.338%0.38127%0.271SS..THydrogen-bonded Turntrans6823.6-179.500000113.5H237 S247H237-G250 PolarHBondContact CE1-O 3.07Å; H237-G250 VanDerWaalsContact CE1-O 3.25Å; S247-G250 PolarHBondContact O-N 3.35Å
251G96.9Very high96.8Very high17 Ų1748.5 Ų48.518%0.17528%0.275CS..  trans-90.6-175.8178.700000114.1P242 L245 P246 F249P242-G251 CarbonylContact O-C 3.55Å; P242-G251 WeakPolarHBondContact O-CA 3.37Å; L245-G251 CarbonylContact O-C 3.18Å; L245-G251 VanDerWaalsContact O-CA 3.24Å; L245-G251 WeakPolarHBondContact O-CA 3.35Å; P246-G251 PolarHBondContact O-N 2.63Å; P246-G251 VanDerWaalsContact O-N 3.14Å; F249-G251 PolarHBondContact O-N 3.17Å
252M97.3Very high96.7Very high137 Ų13744.3 Ų44.368%0.67526%0.256SS*.SBendtrans-97.5-8.1-175.9-56.8-171.4-172.800114P242 E243 L245P242-M252 PolarHBondContact O-N 2.77Å; E243-M252 HydrophobicContact CB-SD 4.48Å; E243-M252 HydrophobicContact CG-CE 4.09Å; E243-M252 HydrophobicContact CG-SD 3.9Å; L245-M252 PolarHBondContact O-N 3.5Å
253L97.6Very high96.6Very high57 Ų5748.5 Ų48.530%0.29827%0.268SS..BIsolated β-bridgetrans-81158.5176.2-56.6-177.1000110.9I244 L245 S247I244-L253 VanDerWaalsContact C-CD1 3.46Å; I244-L253 VanDerWaalsContact O-CD1 3.27Å; I244-L253 WeakPolarHBondContact O-CD1 3.29Å; L245-L253 VanDerWaalsContact O-CB 3.31Å; L245-L253 WeakPolarHBondContact O-CB 3.26Å; L245-L253 PolarHBondContact O-N 3.47Å; S247-L253 PolarHBondContact N-O 3.24Å; S247-L253 VanDerWaalsContact N-O 3.09Å
254P97.5Very high96.5Very high99 Ų9948.3 Ų48.364%0.64327%0.274SS*.PPolyproline II helixtrans-56.3165.8171.5-23.634.4000112.8
255P97.3Very high96.2Very high90 Ų9049 Ų4958%0.58428%0.278SS*.PPolyproline II helixtrans-48.3142.4169.4-26.734.1000112.3S247 E248 D257S247-P255 WeakPolarHBondContact OG-CG 3.49Å; E248-P255 WeakPolarHBondContact OE1-CA 3.4Å; E248-P255 WeakPolarHBondContact OE1-CB 3.41Å; E248-P255 WeakPolarHBondContact OE2-CA 3.47Å; P255-D257 PolarHBondContact O-N 3.46Å
256Y97.5Very high95.9Very high25 Ų2549.1 Ų49.110%0.09828%0.278CS..PPolyproline II helixtrans-71.6122.5-178.5-173.9-105.6000110.6G106 G107 L108 V120 F122 P246 E248 M258G106-Y256 VanDerWaalsContact CA-OH 3.29Å; G106-Y256 WeakPolarHBondContact CA-OH 3.35Å; G107-Y256 PolarHBondContact N-OH 2.82Å; G107-Y256 PolarHBondContact O-OH 3.1Å; L108-Y256 HydrophobicContact CD2-CD2 3.51Å; L108-Y256 HydrophobicContact CD2-CE2 3.65Å; L108-Y256 HydrophobicContact CD2-CG 4.38Å; V120-Y256 HydrophobicContact CG2-CD1 4.14Å; V120-Y256 HydrophobicContact CG2-CE1 4.11Å; V120-Y256 HydrophobicContact CG2-CG 4.43Å; F122-Y256 AromaticContact CE2-CD1 3.84Å; F122-Y256 HydrophobicContact CE2-CD1 3.84Å; F122-Y256 HydrophobicContact CE2-CG 4.32Å; P246-Y256 HydrophobicContact CG-CD2 4.31Å; E248-Y256 PolarHBondContact OE1-N 3.36Å; E248-Y256 PolarHBondContact OE2-N 3.2Å; Y256-M258 HydrophobicContact CD1-CE 4.48Å; Y256-M258 HydrophobicContact CD1-SD 3.85Å; Y256-M258 HydrophobicContact CE1-SD 4.39Å; Y256-M258 PolarHBondContact O-N 2.87Å
257D96.6Very high95.4Very high78 Ų7854 Ų5442%0.41730%0.304SS..  trans-77.1106.6167.9171.515.4000109.6P255 G259 T260 R263P255-D257 PolarHBondContact O-N 3.46Å; D257-G259 PolarHBondContact O-N 3.42Å; D257-G259 VanDerWaalsContact O-N 3.11Å; D257-G259 PolarHBondContact OD1-N 3.27Å; D257-T260 WeakPolarHBondContact CB-OG1 3.36Å; D257-T260 VanDerWaalsContact O-CB 3.24Å; D257-T260 WeakPolarHBondContact O-CB 3.39Å; D257-T260 PolarHBondContact O-N 3.06Å; D257-T260 PolarHBondContact O-OG1 2.98Å; D257-R263 IonicContact OD2-CZ 3.3Å; D257-R263 IonicContact OD2-NH2 3.81Å; D257-R263 PolarHBondContact OD2-NH2 2.78Å
258M94.8Very high94.5Very high41 Ų4158.4 Ų58.420%0.20232%0.318CS..THydrogen-bonded Turntrans-52.9-31.6-179.9-56.4-60.3162.100113F122 Y256 T260F122-M258 HydrophobicContact CB-CE 4.32Å; F122-M258 HydrophobicContact CD1-CE 4.07Å; F122-M258 HydrophobicContact CD2-CE 3.33Å; F122-M258 HydrophobicContact CD2-SD 3.37Å; F122-M258 WeakPolarHBondContact CD2-SD 3.27Å; F122-M258 HydrophobicContact CE1-CE 4.17Å; F122-M258 HydrophobicContact CE2-CE 3.45Å; F122-M258 VanDerWaalsContact CE2-CE 3.45Å; F122-M258 HydrophobicContact CE2-SD 3.66Å; F122-M258 HydrophobicContact CG-CE 3.64Å; F122-M258 HydrophobicContact CG-SD 4.15Å; F122-M258 HydrophobicContact CZ-CE 3.87Å; Y256-M258 HydrophobicContact CD1-CE 4.48Å; Y256-M258 HydrophobicContact CD1-SD 3.85Å; Y256-M258 HydrophobicContact CE1-SD 4.39Å; Y256-M258 PolarHBondContact O-N 2.87Å; M258-T260 VanDerWaalsContact C-N 3.29Å; M258-T260 PolarHBondContact O-N 3.22Å
259G93.6Very high93.7Very high1 Ų160 Ų601%0.0133%0.325CS..Hα-helixtrans-76.8-11.7-179.700000114.1D257 W261 A262 R263D257-G259 PolarHBondContact O-N 3.42Å; D257-G259 VanDerWaalsContact O-N 3.11Å; D257-G259 PolarHBondContact OD1-N 3.27Å; G259-W261 PolarHBondContact O-N 3.09Å; G259-A262 PolarHBondContact O-N 2.93Å; G259-R263 WeakPolarHBondContact O-CB 3.49Å; G259-R263 WeakPolarHBondContact O-CG 3.38Å; G259-R263 PolarHBondContact O-N 3.1Å; G259-R263 PolarHBondContact O-NE 3.09Å
260T94.8Very high92.9Very high51 Ų5162.2 Ų62.231%0.31333%0.334SS..Hα-helixtrans-56.5-51.1-173.4-59.10000112.3D257 M258 T264D257-T260 WeakPolarHBondContact CB-OG1 3.36Å; D257-T260 VanDerWaalsContact O-CB 3.24Å; D257-T260 WeakPolarHBondContact O-CB 3.39Å; D257-T260 PolarHBondContact O-N 3.06Å; D257-T260 PolarHBondContact O-OG1 2.98Å; M258-T260 VanDerWaalsContact C-N 3.29Å; M258-T260 PolarHBondContact O-N 3.22Å; T260-T264 PolarHBondContact O-OG1 3.33Å
261W96.2Very high92Very high25 Ų2565.6 Ų65.610%0.09534%0.343CS..Hα-helixtrans-72.5-40.1-179.8179.2-115.9000111.8S143 A146 M147 G259 R263 T264 L265S143-W261 VanDerWaalsContact CB-NE1 3.29Å; S143-W261 PolarHBondContact OG-NE1 3.07Å; A146-W261 HydrophobicContact CB-CZ2 4.48Å; M147-W261 HydrophobicContact CE-CD2 3.68Å; M147-W261 VanDerWaalsContact CE-CE2 3.4Å; M147-W261 HydrophobicContact CE-CE3 3.83Å; M147-W261 HydrophobicContact CE-CG 4.49Å; M147-W261 HydrophobicContact CE-CH2 3.51Å; M147-W261 HydrophobicContact CE-CZ2 3.32Å; M147-W261 HydrophobicContact CE-CZ3 3.75Å; M147-W261 HydrophobicContact CG-CH2 3.62Å; M147-W261 HydrophobicContact CG-CZ2 3.87Å; M147-W261 HydrophobicContact CG-CZ3 4.42Å; M147-W261 HydrophobicContact SD-CH2 4.44Å; M147-W261 HydrophobicContact SD-CZ2 4.41Å; G259-W261 PolarHBondContact O-N 3.09Å; W261-R263 VanDerWaalsContact C-N 3.31Å; W261-R263 PolarHBondContact O-N 3.28Å; W261-T264 HydrophobicContact CE3-CG2 4.34Å; W261-T264 HydrophobicContact CZ3-CG2 3.96Å; W261-T264 WeakPolarHBondContact O-CA 3.36Å; W261-T264 WeakPolarHBondContact O-CB 3.45Å; W261-T264 PolarHBondContact O-N 3.03Å; W261-L265 HydrophobicContact CH2-CD2 4.36Å; W261-L265 HydrophobicContact CH2-CG 4.43Å; W261-L265 HydrophobicContact CZ2-CD1 3.81Å; W261-L265 HydrophobicContact CZ2-CD2 3.86Å; W261-L265 HydrophobicContact CZ2-CG 3.73Å; W261-L265 VanDerWaalsContact NE1-CD1 3.26Å; W261-L265 PolarHBondContact O-N 3.3Å
262A96Very high90.6Very high0 Ų069.6 Ų69.60%036%0.361CS..Hα-helixtrans-56.7-43.617700000112.3L100 K101 G259 T264 L265 L266 Y270L100-A262 HydrophobicContact CB-CB 3.92Å; K101-A262 HydrophobicContact CG-CB 4.48Å; G259-A262 PolarHBondContact O-N 2.93Å; A262-T264 PolarHBondContact O-N 3.17Å; A262-L265 PolarHBondContact O-N 3.3Å; A262-L265 VanDerWaalsContact O-N 3.17Å; A262-L266 HydrophobicContact CB-CD1 4.28Å; A262-L266 VanDerWaalsContact O-CB 3.3Å; A262-L266 WeakPolarHBondContact O-CB 3.47Å; A262-L266 PolarHBondContact O-N 3.17Å; A262-Y270 HydrophobicContact CB-CD2 4Å; A262-Y270 HydrophobicContact CB-CE2 3.66Å
263R95.1Very high88.7Confident117 Ų11767.4 Ų67.444%0.44235%0.352SS..Hα-helixtrans-59.9-32.9174.8-75.5-177.4-74.9133.1-7.8112.9D257 G259 W261 D267 Y270D257-R263 IonicContact OD2-CZ 3.3Å; D257-R263 IonicContact OD2-NH2 3.81Å; D257-R263 PolarHBondContact OD2-NH2 2.78Å; G259-R263 WeakPolarHBondContact O-CB 3.49Å; G259-R263 WeakPolarHBondContact O-CG 3.38Å; G259-R263 PolarHBondContact O-N 3.1Å; G259-R263 PolarHBondContact O-NE 3.09Å; W261-R263 VanDerWaalsContact C-N 3.31Å; W261-R263 PolarHBondContact O-N 3.28Å; R263-D267 WeakPolarHBondContact O-CA 3.25Å; R263-D267 PolarHBondContact O-N 3.23Å; R263-Y270 HydrophobicContact CB-CD2 4.48Å; R263-Y270 HydrophobicContact CG-CD1 3.63Å; R263-Y270 HydrophobicContact CG-CD2 3.69Å; R263-Y270 HydrophobicContact CG-CE1 3.75Å; R263-Y270 HydrophobicContact CG-CE2 3.8Å; R263-Y270 HydrophobicContact CG-CG 3.61Å
264T93.6Very high86.4Confident96 Ų9669.3 Ų69.359%0.58937%0.37SS*.Hα-helixtrans-71-36.7177.2-52.50000111.9T260 W261 A262T260-T264 PolarHBondContact O-OG1 3.33Å; W261-T264 HydrophobicContact CE3-CG2 4.34Å; W261-T264 HydrophobicContact CZ3-CG2 3.96Å; W261-T264 WeakPolarHBondContact O-CA 3.36Å; W261-T264 WeakPolarHBondContact O-CB 3.45Å; W261-T264 PolarHBondContact O-N 3.03Å; A262-T264 PolarHBondContact O-N 3.17Å
265L92.8Very high83.7Confident41 Ų4172.3 Ų72.322%0.21538%0.375CS..Hα-helixtrans-86.3-31.9-178.5-76.9-177.8000114.3A91 L100 A146 W261 A262A91-L265 HydrophobicContact CB-CB 4.46Å; L100-L265 HydrophobicContact CD1-CB 4.44Å; L100-L265 HydrophobicContact CD1-CD1 3.99Å; L100-L265 HydrophobicContact CD2-CD1 3.87Å; A146-L265 HydrophobicContact CB-CD2 3.67Å; W261-L265 HydrophobicContact CH2-CD2 4.36Å; W261-L265 HydrophobicContact CH2-CG 4.43Å; W261-L265 HydrophobicContact CZ2-CD1 3.81Å; W261-L265 HydrophobicContact CZ2-CD2 3.86Å; W261-L265 HydrophobicContact CZ2-CG 3.73Å; W261-L265 VanDerWaalsContact NE1-CD1 3.26Å; W261-L265 PolarHBondContact O-N 3.3Å; A262-L265 PolarHBondContact O-N 3.3Å; A262-L265 VanDerWaalsContact O-N 3.17Å
266L90.6Very high81Confident2 Ų273.5 Ų73.51%0.0138%0.384CS..Hα-helixtrans-94.2-19.8-176.9-70.3162000112.6A91 T92 K97 A262 H268 E269 Y270A91-L266 HydrophobicContact CB-CD2 3.68Å; A91-L266 HydrophobicContact CB-CG 4.24Å; A91-L266 WeakPolarHBondContact O-CD2 3.39Å; T92-L266 HydrophobicContact CG2-CD2 4.35Å; K97-L266 HydrophobicContact CD-CD2 4.43Å; K97-L266 HydrophobicContact CG-CD1 3.82Å; K97-L266 HydrophobicContact CG-CD2 4Å; A262-L266 HydrophobicContact CB-CD1 4.28Å; A262-L266 VanDerWaalsContact O-CB 3.3Å; A262-L266 WeakPolarHBondContact O-CB 3.47Å; A262-L266 PolarHBondContact O-N 3.17Å; L266-H268 PolarHBondContact O-N 3.28Å; L266-E269 WeakPolarHBondContact O-CB 3.14Å; L266-E269 PolarHBondContact O-N 3.24Å; L266-Y270 HydrophobicContact CD1-CD2 3.94Å
267D86.9Confident78.2Confident105 Ų10579.7 Ų79.756%0.56142%0.419SS*.G310 helixtrans47.2-122.8-176.5-16820.3000111.1R263 E269 Y270R263-D267 WeakPolarHBondContact O-CA 3.25Å; R263-D267 PolarHBondContact O-N 3.23Å; D267-E269 VanDerWaalsContact C-N 3.25Å; D267-E269 PolarHBondContact O-N 3.07Å; D267-Y270 WeakPolarHBondContact O-CB 3.47Å; D267-Y270 PolarHBondContact O-N 3.1Å
268H79.8Confident75.6Confident151 Ų15182.1 Ų82.170%0.69944%0.436SS*.G310 helixtrans-61.2-28.3178.1-62.3-56.7000114.2L266 Y270L266-H268 PolarHBondContact O-N 3.28Å; H268-Y270 PolarHBondContact O-N 3.23Å; H268-Y270 VanDerWaalsContact O-N 3.16Å
269E79.3Confident72.8Confident91 Ų9188.1 Ų88.143%0.42547%0.47SS..G310 helixtrans-75.1-4.6-176.4-56.8173.4141.200112.3T92 K97 L266 D267T92-E269 HydrophobicContact CG2-CB 4.15Å; T92-E269 HydrophobicContact CG2-CG 4.25Å; T92-E269 WeakPolarHBondContact CG2-OE2 3.41Å; K97-E269 WeakPolarHBondContact CE-O 3.49Å; K97-E269 PolarHBondContact NZ-O 3.19Å; L266-E269 WeakPolarHBondContact O-CB 3.14Å; L266-E269 PolarHBondContact O-N 3.24Å; D267-E269 VanDerWaalsContact C-N 3.25Å; D267-E269 PolarHBondContact O-N 3.07Å
270Y80.1Confident70.4Confident45 Ų4592.7 Ų92.718%0.17650%0.501CS..G310 helixtrans-64.4-43.2176.1-174.7-94.7000111.9K101 A262 R263 L266 D267 H268K101-Y270 HydrophobicContact CD-CE2 4.39Å; K101-Y270 WeakPolarHBondContact CE-O 3.45Å; K101-Y270 HydrophobicContact CG-CD2 4.36Å; K101-Y270 HydrophobicContact CG-CE2 3.78Å; K101-Y270 PolarHBondContact NZ-O 2.84Å; A262-Y270 HydrophobicContact CB-CD2 4Å; A262-Y270 HydrophobicContact CB-CE2 3.66Å; R263-Y270 HydrophobicContact CB-CD2 4.48Å; R263-Y270 HydrophobicContact CG-CD1 3.63Å; R263-Y270 HydrophobicContact CG-CD2 3.69Å; R263-Y270 HydrophobicContact CG-CE1 3.75Å; R263-Y270 HydrophobicContact CG-CE2 3.8Å; R263-Y270 HydrophobicContact CG-CG 3.61Å; L266-Y270 HydrophobicContact CD1-CD2 3.94Å; D267-Y270 WeakPolarHBondContact O-CB 3.47Å; D267-Y270 PolarHBondContact O-N 3.1Å; H268-Y270 PolarHBondContact O-N 3.23Å; H268-Y270 VanDerWaalsContact O-N 3.16Å
271D78.7Confident68.1Low109 Ų109100.7 Ų100.758%0.58353%0.527SS*.THydrogen-bonded Turntrans-92.4-12.6-172-69.7-39.9000114.3D273 S274D271-D273 PolarHBondContact O-N 2.99Å; D271-S274 WeakPolarHBondContact O-CB 3.42Å; D271-S274 PolarHBondContact O-N 3.1Å; D271-S274 PolarHBondContact O-OG 2.99Å
272D66.5Low65.3Low100 Ų100107.8 Ų107.854%0.53557%0.567SS.*G310 helixtrans-58.5-15.2-177.8-90.90.3000114.9S274D272-S274 PolarHBondContact O-N 3.09Å
273D57.7Low62.4Low91 Ų91112.3 Ų112.349%0.48760%0.604SS.*G310 helixtrans-76.3-7.8175.1-60-26.2000112.7K97 K101 D271K97-D273 WeakPolarHBondContact CE-OD2 3.33Å; K97-D273 IonicContact NZ-OD1 3.59Å; K97-D273 PolarHBondContact NZ-OD1 3.25Å; K97-D273 IonicContact NZ-OD2 2.83Å; K97-D273 PolarHBondContact NZ-OD2 3.47Å; K97-D273 VanDerWaalsContact NZ-OD2 3.1Å; K101-D273 IonicContact NZ-OD2 3.68Å; K101-D273 PolarHBondContact NZ-OD2 2.84Å; D271-D273 PolarHBondContact O-N 2.99Å
274S49.2Very low59.5Low97 Ų97112.7 Ų112.768%0.67862%0.622SS**G310 helixtrans-86.7-19-179.865.40000114.5D271 D272D271-S274 WeakPolarHBondContact O-CB 3.42Å; D271-S274 PolarHBondContact O-N 3.1Å; D271-S274 PolarHBondContact O-OG 2.99Å; D272-S274 PolarHBondContact O-N 3.09Å
275E41.7Very low56.7Low163 Ų163113 Ų11376%0.76263%0.634SS**THydrogen-bonded Turntrans-96-14.3-176.7-70.9-167.4159.900114.6N277E275-N277 VanDerWaalsContact C-N 3.31Å; E275-N277 PolarHBondContact O-N 2.69Å
276C39.4Very low53.8Low115 Ų115120.6 Ų120.678%0.77767%0.666SS**THydrogen-bonded Turntrans-86.859.3177-72.80000112.8
277N39.3Very low51.3Low155 Ų155128.1 Ų128.183%0.82971%0.706SS**THydrogen-bonded Turntrans-149.618.4165.8-126.4-18.4000116E275E275-N277 VanDerWaalsContact C-N 3.31Å; E275-N277 PolarHBondContact O-N 2.69Å
278V41.9Very low48.7Very low128 Ų128131.6 Ų131.678%0.77672%0.724SS**SBendtrans-130.576.3175.1-170.20000109
279D36.6Very low46.5Very low168 Ų168130.9 Ų130.990%0.89873%0.725SS**  trans-17129.5155.2-92.4-22.1000113.7
280S41.8Very low44.3Very low97 Ų97134.3 Ų134.368%0.67874%0.739SS**SBendtrans-105.934.4176.6177.90000113.2
281Y46.2Very low41.9Very low218 Ų218140.3 Ų140.386%0.85577%0.774SS**  trans-151.884.1163-69-70.9000110.6
282N38.2Very low39.7Very low174 Ų174143 Ų14393%0.9379%0.787SS**  trans-161.284149.5-91.9-29.8000109.6
283A34.4Very low38Very low95 Ų95143.7 Ų143.779%0.78580%0.8SS**  trans-113.6130.6158.300000107.8
284P35.3Very low37.1Very low125 Ų125145.2 Ų145.281%0.81282%0.815SS**PPolyproline II helixtrans-75.7133.8-175.830.2-31.4000110.4K286P284-K286 PolarHBondContact O-N 3.4Å
285A33.9Very low36.2Very low103 Ų103150.8 Ų150.885%0.85183%0.827SS**PPolyproline II helixtrans-59.6127.4173.200000110.3
286K33.1Very low35.6Very low200 Ų200148 Ų14887%0.8783%0.825SS**PPolyproline II helixtrans-103126.8161.7-84.8-173.1175.6-179.90108.8P284P284-K286 PolarHBondContact O-N 3.4Å
287D36.9Very low35.2Very low161 Ų161151.9 Ų151.986%0.86183%0.834SS**PPolyproline II helixtrans-48.8136.3171.6-72.2-49000112.8
288L33.3Very low34.8Very low178 Ų178153.9 Ų153.993%0.93284%0.836SS**  trans-143111.1150.7-106.8128.5000109.2
289D32.7Very low34.1Very low136 Ų136158.3 Ų158.373%0.72784%0.838SS**  trans-70.4142.9179.3-124.1-23.8000111.8
290K33.8Very low33.9Very low163 Ų163156 Ų15671%0.70984%0.836SS**  trans49.1120.3148.9-74169.6-179.61660121.2
291D30.1Very low33.3Very low171 Ų171158.9 Ų158.991%0.91484%0.838SS**  -159.9138.3102.8-105.5-21000113
292L32.3Very low32.7Very low164 Ų164154.2 Ų154.286%0.85984%0.838SS**  trans-99.5136.6-175-82.4151000111.6
293S31.3Very low32.4Very low116 Ų116152.4 Ų152.481%0.81183%0.833SS**  -179.7153.6122.8560000112.8
294P37.2Very low32.2Very low122 Ų122153.7 Ų153.779%0.79283%0.831SS**  trans-105146.8-158.437.4-28.2000113.4
295K30.7Very low32Very low214 Ų214155.4 Ų155.493%0.9383%0.833SS**  trans-132.7138.1161.9-75.5-173.2179.8173.30112.3
296S29.2Very low32.1Very low105 Ų105156.1 Ų156.173%0.73483%0.829SS**  trans-61.4140-161.559.80000116.7
297M30.5Very low31.9Very low196 Ų196150 Ų15097%0.96682%0.822SS**  trans-61.8132.9160.4-77.5171.2150.700111.4
298K31.3Very low31.6Very low197 Ų197149.2 Ų149.286%0.85782%0.823SS**  trans-110.4123160.6-81.1-174.4176.6-178.90109.6
299R28.1Very low31.5Very low221 Ų221148.3 Ų148.383%0.83482%0.818SS**PPolyproline II helixtrans-79.6123.2175.3-178.5-178.6-173.9179.82108.6
300S32.3Very low31.4Very low121 Ų121152.1 Ų152.185%0.84683%0.828SS**PPolyproline II helixtrans-101.8116168.5-620000109
301Q29.1Very low31.1Very low156 Ų156155.2 Ų155.273%0.72984%0.836SS**PPolyproline II helixtrans-84.2133.5168.4-70.7172.9-27.500108.4
302S32.3Very low30.9Very low121 Ų121154.5 Ų154.585%0.84683%0.829SS**  trans-116.4129156.858.70000108.9
303V31.7Very low30.8Very low135 Ų135153.2 Ų153.282%0.81882%0.822SS**  trans-90.4146.1-176.4171.80000109
304V30.9Very low30.8Very low123 Ų123156.7 Ų156.775%0.74582%0.823SS**  trans-81.7149.5179.6-162.30000109.9
305D31.3Very low30.4Very low160 Ų160157.3 Ų157.386%0.85682%0.82SS**  trans-145.1145.6146.5-108.3-28.6000111.9
306P35.9Very low30.4Very low119 Ų119155 Ų15577%0.77381%0.812SS**  trans-111158.1-167.839.4-28.8000114.9
307G29.4Very low30.4Very low70 Ų70159 Ų15972%0.72282%0.819SS**  trans143.2138.1167.700000110.6
308V30.6Very low30.4Very low145 Ų145158.9 Ų158.988%0.87982%0.816SS**  cis-160145.523.1157.60000107.5
309L30.3Very low30.3Very low159 Ų159156.7 Ų156.783%0.83281%0.814SS**  trans-55.9139.6168.6-95.588.2000112.8
310K31.3Very low30.4Very low216 Ų216155.3 Ų155.394%0.93982%0.819SS**  trans-147.7135.6141.5-116.2177.3-176.6-178.90111.9
311R26.6Very low30.4Very low229 Ų229157.9 Ų157.986%0.86482%0.818SS**  trans-101.6168.8-175.3-135.7-177.2-168.81772109.2
312M26.6Very low30.6Very low156 Ų156156.5 Ų156.577%0.76882%0.822SS**  trans85.7136.4162.4-67.9173.486.700115.6
313D29.2Very low30.8Very low136 Ų136159.2 Ų159.273%0.72783%0.827SS**  cis-152.916120.7-102.3-32.7000115
314K31.3Very low31Very low189 Ų189160.1 Ų160.182%0.82283%0.826SS**  trans-77153.6163-80.5175166.5-176.70110.7
315N28.7Very low31.1Very low136 Ų136159.2 Ų159.273%0.72783%0.825SS**  trans144.6136.3153.9-8113.5000107.4
316E31.4Very low31.5Very low166 Ų166160.1 Ų160.178%0.77683%0.829SS**  cis-159.3136.815.8-108.3147.9-151.900107.5
317E29.2Very low31.8Very low188 Ų188165.9 Ų165.988%0.87985%0.853SS**  trans-73.9133.6156.7-70.6170.6143.700107.9
318E30.6Very low32Very low194 Ų194170.7 Ų170.791%0.90786%0.86SS**  trans169.3121.3136.3-96.9177.7-17700109.4
319N30.2Very low32Very low150 Ų150172 Ų17280%0.80286%0.859SS**  157.887.4122.7-157.49.8000109.7
320M29.3Very low32.1Very low192 Ų192172.7 Ų172.795%0.94686%0.86SS**  trans-111.4112.1163.5-87.8-159.3-67.400108.8
321Q32Very low32.2Very low176 Ų176170.2 Ų170.282%0.82286%0.855SS**  trans-115.9137.4155.5-78.2-166-23.700109
322P34Very low32.5Very low126 Ų126166.5 Ų166.582%0.81886%0.855SS**PPolyproline II helixtrans-88.4129.2-179.733-29.3000110.9
323L35.7Very low32.9Very low179 Ų179167.2 Ų167.294%0.93786%0.861SS**PPolyproline II helixtrans-102.8121.8167.3-102.5154.3000109.6
324L36.4Very low33.2Very low154 Ų154169.4 Ų169.481%0.80687%0.87SS**PPolyproline II helixtrans-66.2147.9178.8-75.8148.7000112.3
325S33.1Very low33.3Very low103 Ų103167.9 Ų167.972%0.7287%0.874SS**  trans39119.415059.70000118.9
326L39.2Very low33.7Very low179 Ų179170.6 Ų170.694%0.93789%0.886SS**  trans-121.8129.1158.2-73.1170.1000109.8
327D43.7Very low33.9Very low240 Ų240171 Ų171100%1.28390%0.896SS**  trans-580175.8-64.1-54.7000114.9

Retrieved 327 of 327 residues in 151.9 ms (Link to these results)

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