A0A087YMS8_POEFO Loading...

MYND-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YMS8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 799 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
1E73.4Confident87.1Confident186 Ų18694.7 Ų94.787%0.86953%0.527SS*.  01340-50-176.8163.700108.8F18 L19E1-F18 CarbonylContact C-O 3.44Å; E1-F18 WeakPolarHBondContact CA-O 3.47Å; E1-L19 HydrophobicContact CB-CD1 4.3Å; E1-L19 VanDerWaalsContact CD-CD1 3.4Å; E1-L19 HydrophobicContact CG-CD1 3.74Å; E1-L19 VanDerWaalsContact OE1-CD1 3.27Å; E1-L19 WeakPolarHBondContact OE1-CD1 3.19Å
2G86Confident87.2Confident39 Ų3987.1 Ų87.140%0.40249%0.485SS..EExtended strand (participates in β ladder)trans139.7-178.7179.900000113.7F18G2-F18 PolarHBondContact N-O 2.89Å; G2-F18 PolarHBondContact O-N 2.88Å
3F91.6Very high87.6Confident152 Ų15285.3 Ų85.367%0.66747%0.469SS*.EExtended strand (participates in β ladder)trans-71.5130.9179.1-168.6-88.7000110.9E15 G16F3-E15 HydrophobicContact CZ-CB 4.33Å; F3-G16 CarbonylContact C-O 3.56Å; F3-G16 WeakPolarHBondContact CA-O 3.39Å
4G92.1Very high88Confident21 Ų2179.2 Ų79.222%0.21644%0.436CS..EExtended strand (participates in β ladder)trans-145.8169.7-178.300000112.5G16G4-G16 PolarHBondContact N-O 2.66Å; G4-G16 PolarHBondContact O-N 3.43Å
5V92.6Very high88.4Confident76 Ų7678.5 Ų78.546%0.46143%0.428SS..EExtended strand (participates in β ladder)trans-126.4127.2175.4179.10000108.5E7 K13 Y14 E15V5-E7 HydrophobicContact CG1-CG 4.16Å; V5-K13 HydrophobicContact CG1-CD 4.35Å; V5-K13 HydrophobicContact CG1-CG 4.17Å; V5-Y14 CarbonylContact C-O 3.57Å; V5-Y14 VanDerWaalsContact CA-O 3.27Å; V5-Y14 WeakPolarHBondContact CA-O 3.48Å; V5-E15 HydrophobicContact CG1-CG 4.21Å; V5-E15 HydrophobicContact CG2-CB 4.44Å; V5-E15 HydrophobicContact CG2-CG 4.06Å
6Q90.6Very high88.7Confident74 Ų7473.6 Ų73.635%0.34640%0.401SS..EExtended strand (participates in β ladder)trans-117.7123.8174.3-175.1177.115.400109W8 K13 Y14 F18Q6-W8 HydrophobicContact CB-CH2 3.88Å; Q6-W8 HydrophobicContact CB-CZ2 4.49Å; Q6-W8 HydrophobicContact CB-CZ3 4.09Å; Q6-W8 HydrophobicContact CG-CD2 4.43Å; Q6-W8 HydrophobicContact CG-CE3 4.35Å; Q6-W8 HydrophobicContact CG-CH2 3.55Å; Q6-W8 HydrophobicContact CG-CZ2 3.68Å; Q6-W8 HydrophobicContact CG-CZ3 3.94Å; Q6-W8 WeakPolarHBondContact O-CZ3 3.33Å; Q6-W8 VanDerWaalsContact OE1-CH2 3.28Å; Q6-W8 VanDerWaalsContact OE1-CZ2 3.3Å; Q6-K13 CarbonylContact O-C 3.53Å; Q6-K13 WeakPolarHBondContact O-CA 3.4Å; Q6-Y14 PolarHBondContact N-O 3.12Å; Q6-Y14 PolarHBondContact O-N 2.91Å; Q6-F18 HydrophobicContact CB-CZ 3.88Å
7E90.8Very high89Confident138 Ų13874.5 Ų74.565%0.64540%0.402SS*.EExtended strand (participates in β ladder)trans-115.5135.2179.3-69.7179.2178.800109.3V5 K13V5-E7 HydrophobicContact CG1-CG 4.16Å; E7-K13 HydrophobicContact CG-CB 4.48Å; E7-K13 HydrophobicContact CG-CD 4.26Å; E7-K13 HydrophobicContact CG-CG 3.94Å; E7-K13 WeakPolarHBondContact OE1-CE 3.41Å; E7-K13 IonicContact OE1-NZ 3.61Å
8W87.7Confident89.1Confident76 Ų7672.4 Ų72.429%0.28839%0.389SS..  trans-104.3153.4178.4-73-96.9000111Q6 D10 G11 S12 Y29Q6-W8 HydrophobicContact CB-CH2 3.88Å; Q6-W8 HydrophobicContact CB-CZ2 4.49Å; Q6-W8 HydrophobicContact CB-CZ3 4.09Å; Q6-W8 HydrophobicContact CG-CD2 4.43Å; Q6-W8 HydrophobicContact CG-CE3 4.35Å; Q6-W8 HydrophobicContact CG-CH2 3.55Å; Q6-W8 HydrophobicContact CG-CZ2 3.68Å; Q6-W8 HydrophobicContact CG-CZ3 3.94Å; Q6-W8 WeakPolarHBondContact O-CZ3 3.33Å; Q6-W8 VanDerWaalsContact OE1-CH2 3.28Å; Q6-W8 VanDerWaalsContact OE1-CZ2 3.3Å; W8-D10 WeakPolarHBondContact CB-OD1 3.45Å; W8-D10 PolarHBondContact O-N 3.46Å; W8-D10 VanDerWaalsContact O-N 3.09Å; W8-G11 PolarHBondContact O-N 2.91Å; W8-S12 PolarHBondContact N-O 3.19Å; W8-Y29 HydrophobicContact CE3-CE2 4.31Å; W8-Y29 HydrophobicContact CH2-CD2 4.43Å; W8-Y29 AromaticContact CH2-CE2 3.65Å; W8-Y29 HydrophobicContact CH2-CE2 3.65Å; W8-Y29 HydrophobicContact CZ2-CE2 4.37Å; W8-Y29 HydrophobicContact CZ3-CD2 4.37Å; W8-Y29 AromaticContact CZ3-CE2 3.59Å; W8-Y29 HydrophobicContact CZ3-CE2 3.59Å
9P85.3Confident89.1Confident143 Ų14371.4 Ų71.493%0.92938%0.383SS*.THydrogen-bonded Turntrans-60.2-20.5178.5-23.834000114.5G11P9-G11 PolarHBondContact O-N 3.48Å
10D82.9Confident89Confident88 Ų8873.5 Ų73.547%0.47139%0.394SS..THydrogen-bonded Turntrans-76.4-7.8176.569.8-14.5000113.3W8 S12 K32W8-D10 WeakPolarHBondContact CB-OD1 3.45Å; W8-D10 PolarHBondContact O-N 3.46Å; W8-D10 VanDerWaalsContact O-N 3.09Å; D10-S12 VanDerWaalsContact CG-OG 3.3Å; D10-S12 VanDerWaalsContact OD1-CB 3.22Å; D10-S12 WeakPolarHBondContact OD1-CB 3.47Å; D10-S12 PolarHBondContact OD1-N 2.99Å; D10-S12 PolarHBondContact OD1-OG 3.47Å; D10-S12 PolarHBondContact OD2-OG 2.95Å; D10-K32 WeakPolarHBondContact O-CD 3.14Å
11G84.6Confident88.9Confident49 Ų4977.3 Ų77.351%0.50541%0.414SS..SBendtrans893.4-176.800000114.6W8 P9W8-G11 PolarHBondContact O-N 2.91Å; P9-G11 PolarHBondContact O-N 3.48Å
12S88.7Confident89.5Confident3 Ų372.3 Ų72.32%0.02139%0.39CS..  trans-69.4149.2168-59.80000110.4W8 D10 Y29 S30W8-S12 PolarHBondContact N-O 3.19Å; D10-S12 VanDerWaalsContact CG-OG 3.3Å; D10-S12 VanDerWaalsContact OD1-CB 3.22Å; D10-S12 WeakPolarHBondContact OD1-CB 3.47Å; D10-S12 PolarHBondContact OD1-N 2.99Å; D10-S12 PolarHBondContact OD1-OG 3.47Å; D10-S12 PolarHBondContact OD2-OG 2.95Å; S12-Y29 WeakPolarHBondContact CB-OH 3.47Å; S12-S30 CarbonylContact C-O 3.56Å; S12-S30 WeakPolarHBondContact CA-O 3.04Å
13K92.9Very high89.6Confident64 Ų6471.7 Ų71.728%0.27838%0.376SS..EExtended strand (participates in β ladder)trans-143.1136.9-176.6-175.1177.4-165.3-170.90111.5V5 Q6 E7 E15 Y29 S30V5-K13 HydrophobicContact CG1-CD 4.35Å; V5-K13 HydrophobicContact CG1-CG 4.17Å; Q6-K13 CarbonylContact O-C 3.53Å; Q6-K13 WeakPolarHBondContact O-CA 3.4Å; E7-K13 HydrophobicContact CG-CB 4.48Å; E7-K13 HydrophobicContact CG-CD 4.26Å; E7-K13 HydrophobicContact CG-CG 3.94Å; E7-K13 WeakPolarHBondContact OE1-CE 3.41Å; E7-K13 IonicContact OE1-NZ 3.61Å; K13-E15 HydrophobicContact CD-CG 4.17Å; K13-E15 WeakPolarHBondContact CD-OE1 3.4Å; K13-E15 WeakPolarHBondContact CE-OE1 3.34Å; K13-E15 HydrophobicContact CG-CG 4.15Å; K13-E15 IonicContact NZ-OE1 2.62Å; K13-E15 PolarHBondContact NZ-OE1 3.34Å; K13-Y29 CarbonylContact O-C 3.53Å; K13-Y29 WeakPolarHBondContact O-CA 3.41Å; K13-S30 PolarHBondContact N-O 3.4Å; K13-S30 PolarHBondContact O-N 3.39Å
14Y92.3Very high89.6Confident0 Ų066.3 Ų66.30%035%0.353CS..EExtended strand (participates in β ladder)trans-117.6133.6170.2175.2-94.8000109.6V5 Q6 E17 F18 K23 R28 Y29 F41V5-Y14 CarbonylContact C-O 3.57Å; V5-Y14 VanDerWaalsContact CA-O 3.27Å; V5-Y14 WeakPolarHBondContact CA-O 3.48Å; Q6-Y14 PolarHBondContact N-O 3.12Å; Q6-Y14 PolarHBondContact O-N 2.91Å; Y14-E17 PolarHBondContact OH-O 2.96Å; Y14-E17 VanDerWaalsContact OH-O 3.13Å; Y14-F18 HydrophobicContact CD1-CE1 4.22Å; Y14-F18 AromaticContact CD1-CE2 3.57Å; Y14-F18 HydrophobicContact CD1-CE2 3.57Å; Y14-F18 AromaticContact CD1-CZ 3.33Å; Y14-F18 HydrophobicContact CD1-CZ 3.33Å; Y14-F18 HydrophobicContact CE1-CD2 4.11Å; Y14-F18 HydrophobicContact CE1-CE1 4.19Å; Y14-F18 AromaticContact CE1-CE2 3.43Å; Y14-F18 HydrophobicContact CE1-CE2 3.43Å; Y14-F18 VanDerWaalsContact CE1-CE2 3.43Å; Y14-F18 AromaticContact CE1-CZ 3.5Å; Y14-F18 HydrophobicContact CE1-CZ 3.5Å; Y14-K23 HydrophobicContact CD1-CD 4.36Å; Y14-K23 HydrophobicContact CD1-CG 3.96Å; Y14-K23 HydrophobicContact CD2-CD 3.82Å; Y14-K23 HydrophobicContact CD2-CG 4.15Å; Y14-K23 HydrophobicContact CE1-CB 4.12Å; Y14-K23 HydrophobicContact CE1-CD 4.45Å; Y14-K23 HydrophobicContact CE1-CG 3.73Å; Y14-K23 HydrophobicContact CE2-CB 4.06Å; Y14-K23 HydrophobicContact CE2-CD 3.91Å; Y14-K23 HydrophobicContact CE2-CG 3.92Å; Y14-K23 HydrophobicContact CG-CD 4.03Å; Y14-K23 HydrophobicContact CG-CG 4.14Å; Y14-R28 CarbonylContact C-O 3.6Å; Y14-R28 WeakPolarHBondContact CA-O 3.03Å; Y14-Y29 HydrophobicContact CD2-CD2 4.04Å; Y14-Y29 HydrophobicContact CG-CD2 4.4Å; Y14-F41 HydrophobicContact CD2-CE2 4.31Å; Y14-F41 HydrophobicContact CD2-CZ 4.13Å; Y14-F41 HydrophobicContact CE2-CD1 4.34Å; Y14-F41 AromaticContact CE2-CD2 3.76Å; Y14-F41 HydrophobicContact CE2-CD2 3.76Å; Y14-F41 HydrophobicContact CE2-CE1 4.15Å; Y14-F41 AromaticContact CE2-CE2 3.55Å; Y14-F41 HydrophobicContact CE2-CE2 3.55Å; Y14-F41 HydrophobicContact CE2-CG 4.14Å; Y14-F41 AromaticContact CE2-CZ 3.73Å; Y14-F41 HydrophobicContact CE2-CZ 3.73Å
15E94.3Very high89.5Confident68 Ų6865.8 Ų65.832%0.31835%0.348SS..EExtended strand (participates in β ladder)trans-129.4113.9175.6-56.5-178.1165.700108.2F3 V5 K13 G27 R28F3-E15 HydrophobicContact CZ-CB 4.33Å; V5-E15 HydrophobicContact CG1-CG 4.21Å; V5-E15 HydrophobicContact CG2-CB 4.44Å; V5-E15 HydrophobicContact CG2-CG 4.06Å; K13-E15 HydrophobicContact CD-CG 4.17Å; K13-E15 WeakPolarHBondContact CD-OE1 3.4Å; K13-E15 WeakPolarHBondContact CE-OE1 3.34Å; K13-E15 HydrophobicContact CG-CG 4.15Å; K13-E15 IonicContact NZ-OE1 2.62Å; K13-E15 PolarHBondContact NZ-OE1 3.34Å; E15-G27 CarbonylContact O-C 3.49Å; E15-G27 VanDerWaalsContact O-CA 3.27Å; E15-G27 WeakPolarHBondContact O-CA 3.4Å; E15-R28 PolarHBondContact N-O 3.2Å; E15-R28 PolarHBondContact O-N 2.94Å
16G94.2Very high89.6Confident0 Ų068.3 Ų68.30%035%0.352CS..EExtended strand (participates in β ladder)trans171.9-170.5-174.300000114.2F3 G4 F18 K26F3-G16 CarbonylContact C-O 3.56Å; F3-G16 WeakPolarHBondContact CA-O 3.39Å; G4-G16 PolarHBondContact N-O 2.66Å; G4-G16 PolarHBondContact O-N 3.43Å; G16-F18 WeakPolarHBondContact O-CD2 3.47Å; G16-K26 WeakPolarHBondContact CA-O 3.39Å
17E93Very high89.8Confident89 Ų8965.3 Ų65.342%0.41634%0.341SS..EExtended strand (participates in β ladder)trans-77.5141.9178.9-63.8166.4-150.300112Y14 H24 K26Y14-E17 PolarHBondContact OH-O 2.96Å; Y14-E17 VanDerWaalsContact OH-O 3.13Å; E17-H24 CarbonylContact C-O 3.48Å; E17-H24 VanDerWaalsContact CB-O 3.28Å; E17-H24 WeakPolarHBondContact CB-O 3.41Å; E17-H24 PolarHBondContact O-N 3.32Å; E17-K26 PolarHBondContact N-O 3.46Å; E17-K26 VanDerWaalsContact N-O 3.16Å
18F90.8Very high90Very high38 Ų3863.2 Ų63.217%0.16733%0.327CS..EExtended strand (participates in β ladder)trans-120.3139.7174-72.9-96000110.8E1 G2 Q6 Y14 G16 F22 K23E1-F18 CarbonylContact C-O 3.44Å; E1-F18 WeakPolarHBondContact CA-O 3.47Å; G2-F18 PolarHBondContact N-O 2.89Å; G2-F18 PolarHBondContact O-N 2.88Å; Q6-F18 HydrophobicContact CB-CZ 3.88Å; Y14-F18 HydrophobicContact CD1-CE1 4.22Å; Y14-F18 AromaticContact CD1-CE2 3.57Å; Y14-F18 HydrophobicContact CD1-CE2 3.57Å; Y14-F18 AromaticContact CD1-CZ 3.33Å; Y14-F18 HydrophobicContact CD1-CZ 3.33Å; Y14-F18 HydrophobicContact CE1-CD2 4.11Å; Y14-F18 HydrophobicContact CE1-CE1 4.19Å; Y14-F18 AromaticContact CE1-CE2 3.43Å; Y14-F18 HydrophobicContact CE1-CE2 3.43Å; Y14-F18 VanDerWaalsContact CE1-CE2 3.43Å; Y14-F18 AromaticContact CE1-CZ 3.5Å; Y14-F18 HydrophobicContact CE1-CZ 3.5Å; G16-F18 WeakPolarHBondContact O-CD2 3.47Å; F18-F22 CarbonylContact C-O 3.55Å; F18-F22 WeakPolarHBondContact CA-O 3.29Å; F18-K23 HydrophobicContact CE1-CG 4.12Å
19L90.1Very high90.2Very high53 Ų5360.7 Ų60.728%0.27732%0.318SS..EExtended strand (participates in β ladder)trans-135124.9173.1-172.977000108.6E1 D21 F22 H24E1-L19 HydrophobicContact CB-CD1 4.3Å; E1-L19 VanDerWaalsContact CD-CD1 3.4Å; E1-L19 HydrophobicContact CG-CD1 3.74Å; E1-L19 VanDerWaalsContact OE1-CD1 3.27Å; E1-L19 WeakPolarHBondContact OE1-CD1 3.19Å; L19-D21 VanDerWaalsContact C-N 3.26Å; L19-D21 PolarHBondContact O-N 3.34Å; L19-F22 PolarHBondContact N-O 3.49Å; L19-F22 WeakPolarHBondContact O-CB 3.15Å; L19-F22 PolarHBondContact O-N 2.9Å; L19-H24 HydrophobicContact CB-CB 3.67Å
20D86.9Confident90.5Very high113 Ų11355.4 Ų55.460%0.60428%0.284SS*.THydrogen-bonded Turntrans49.443-176.2-61.7-35.4000114.2F22D20-F22 HydrophobicContact CB-CD2 4.14Å; D20-F22 WeakPolarHBondContact O-CD2 3.39Å; D20-F22 WeakPolarHBondContact O-CE2 3.45Å; D20-F22 PolarHBondContact O-N 3.35Å; D20-F22 VanDerWaalsContact O-N 3.08Å
21D85.3Confident90.8Very high154 Ų15453.3 Ų53.382%0.82427%0.27SS*.THydrogen-bonded Turntrans63.34-175.1-57.5-36.8000115.6L19L19-D21 VanDerWaalsContact C-N 3.26Å; L19-D21 PolarHBondContact O-N 3.34Å
22F86.1Confident90.9Very high80 Ų8059.2 Ų59.235%0.35128%0.282SS..EExtended strand (participates in β ladder)trans-95.7146.9171.3-59.9-81000111.3F18 L19 D20 H24 D44F18-F22 CarbonylContact C-O 3.55Å; F18-F22 WeakPolarHBondContact CA-O 3.29Å; L19-F22 PolarHBondContact N-O 3.49Å; L19-F22 WeakPolarHBondContact O-CB 3.15Å; L19-F22 PolarHBondContact O-N 2.9Å; D20-F22 HydrophobicContact CB-CD2 4.14Å; D20-F22 WeakPolarHBondContact O-CD2 3.39Å; D20-F22 WeakPolarHBondContact O-CE2 3.45Å; D20-F22 PolarHBondContact O-N 3.35Å; D20-F22 VanDerWaalsContact O-N 3.08Å; F22-H24 PolarHBondContact O-N 3.43Å; F22-D44 VanDerWaalsContact CD1-OD2 3.26Å; F22-D44 WeakPolarHBondContact CD1-OD2 3.42Å
23K89.3Confident90.7Very high26 Ų2663.3 Ų63.311%0.11330%0.303CS..EExtended strand (participates in β ladder)trans-62129.8169-57.5163.4-174.7162.30108.9Y14 F18 F41 K43 D44Y14-K23 HydrophobicContact CD1-CD 4.36Å; Y14-K23 HydrophobicContact CD1-CG 3.96Å; Y14-K23 HydrophobicContact CD2-CD 3.82Å; Y14-K23 HydrophobicContact CD2-CG 4.15Å; Y14-K23 HydrophobicContact CE1-CB 4.12Å; Y14-K23 HydrophobicContact CE1-CD 4.45Å; Y14-K23 HydrophobicContact CE1-CG 3.73Å; Y14-K23 HydrophobicContact CE2-CB 4.06Å; Y14-K23 HydrophobicContact CE2-CD 3.91Å; Y14-K23 HydrophobicContact CE2-CG 3.92Å; Y14-K23 HydrophobicContact CG-CD 4.03Å; Y14-K23 HydrophobicContact CG-CG 4.14Å; F18-K23 HydrophobicContact CE1-CG 4.12Å; K23-F41 HydrophobicContact CB-CB 4.08Å; K23-F41 HydrophobicContact CB-CD1 4.04Å; K23-F41 HydrophobicContact CB-CG 4.18Å; K23-F41 HydrophobicContact CD-CD1 4.27Å; K23-F41 HydrophobicContact CD-CE1 4.29Å; K23-K43 PolarHBondContact O-N 3.33Å; K23-K43 VanDerWaalsContact O-N 3.11Å; K23-D44 WeakPolarHBondContact CB-OD1 3.08Å; K23-D44 WeakPolarHBondContact CG-OD1 3.35Å; K23-D44 PolarHBondContact N-OD1 2.93Å; K23-D44 PolarHBondContact O-N 2.76Å
24H91.1Very high90.2Very high40 Ų4062.6 Ų62.619%0.18531%0.314CS..EExtended strand (participates in β ladder)trans-144166.1-175.6-156.587.3000110.1E17 L19 F22 F41 Y42E17-H24 CarbonylContact C-O 3.48Å; E17-H24 VanDerWaalsContact CB-O 3.28Å; E17-H24 WeakPolarHBondContact CB-O 3.41Å; E17-H24 PolarHBondContact O-N 3.32Å; L19-H24 HydrophobicContact CB-CB 3.67Å; F22-H24 PolarHBondContact O-N 3.43Å; H24-F41 CarbonylContact C-O 3.55Å; H24-F41 VanDerWaalsContact C-O 3.29Å; H24-F41 VanDerWaalsContact CA-O 3.31Å; H24-F41 WeakPolarHBondContact CA-O 3.48Å; H24-Y42 AromaticContact CE1-CD2 3.25Å; H24-Y42 WeakPolarHBondContact CE1-CD2 3.5Å; H24-Y42 AromaticContact CE1-CE2 3.26Å; H24-Y42 WeakPolarHBondContact CE1-CE2 3.43Å; H24-Y42 AromaticContact ND1-CD2 3.91Å; H24-Y42 AromaticContact NE2-CD2 3.94Å; H24-Y42 AromaticContact NE2-CE2 3.97Å
25G90.8Very high90.1Very high10 Ų1063.2 Ų63.210%0.10332%0.317CS..EExtended strand (participates in β ladder)trans59.1-147.7173.200000112.9F40 F41G25-F40 CarbonylContact O-C 3.51Å; G25-F40 VanDerWaalsContact O-CA 3.29Å; G25-F40 WeakPolarHBondContact O-CA 3.48Å; G25-F41 PolarHBondContact N-O 3.12Å; G25-F41 PolarHBondContact O-N 2.56Å
26K93.6Very high90Very high129 Ų12962 Ų6256%0.56131%0.311SS*.EExtended strand (participates in β ladder)trans-82.9136.3178.7-67.8-177.5179.9-178.40110.9G16 E17 F40G16-K26 WeakPolarHBondContact CA-O 3.39Å; E17-K26 PolarHBondContact N-O 3.46Å; E17-K26 VanDerWaalsContact N-O 3.16Å; K26-F40 HydrophobicContact CD-CE1 4.28Å; K26-F40 HydrophobicContact CD-CZ 4.2Å; K26-F40 HydrophobicContact CG-CD1 3.88Å; K26-F40 HydrophobicContact CG-CE1 3.54Å; K26-F40 HydrophobicContact CG-CE2 4.44Å; K26-F40 HydrophobicContact CG-CG 4.48Å; K26-F40 HydrophobicContact CG-CZ 3.87Å
27G94.4Very high90Very high10 Ų1062 Ų6210%0.10331%0.311CS..EExtended strand (participates in β ladder)trans-160.9169.117400000113.6E15 E38 G39E15-G27 CarbonylContact O-C 3.49Å; E15-G27 VanDerWaalsContact O-CA 3.27Å; E15-G27 WeakPolarHBondContact O-CA 3.4Å; G27-E38 WeakPolarHBondContact O-CA 3.37Å; G27-G39 PolarHBondContact N-O 3.37Å; G27-G39 PolarHBondContact O-N 3.32Å; G27-G39 VanDerWaalsContact O-O 3.13Å
28R95.3Very high90.1Very high94 Ų9462.6 Ų62.636%0.35531%0.314SS..EExtended strand (participates in β ladder)trans-124.6122.6176.6-173.6176.4-177.6-156.32.2109.7Y14 E15 Y37 E38Y14-R28 CarbonylContact C-O 3.6Å; Y14-R28 WeakPolarHBondContact CA-O 3.03Å; E15-R28 PolarHBondContact N-O 3.2Å; E15-R28 PolarHBondContact O-N 2.94Å; R28-Y37 CarbonylContact C-O 3.5Å; R28-Y37 VanDerWaalsContact CA-O 3.27Å; R28-Y37 WeakPolarHBondContact CA-O 3.19Å; R28-E38 HydrophobicContact CB-CB 4.48Å; R28-E38 HydrophobicContact CB-CG 4.34Å; R28-E38 HydrophobicContact CG-CB 4.22Å; R28-E38 HydrophobicContact CG-CG 4.45Å
29Y92.1Very high90.2Very high23 Ų2361.4 Ų61.49%0.0931%0.312CS..EExtended strand (participates in β ladder)trans-106.5122.8171.7-165.4-75.5000108.9W8 S12 K13 Y14 W31 F36 Y37W8-Y29 HydrophobicContact CE3-CE2 4.31Å; W8-Y29 HydrophobicContact CH2-CD2 4.43Å; W8-Y29 AromaticContact CH2-CE2 3.65Å; W8-Y29 HydrophobicContact CH2-CE2 3.65Å; W8-Y29 HydrophobicContact CZ2-CE2 4.37Å; W8-Y29 HydrophobicContact CZ3-CD2 4.37Å; W8-Y29 AromaticContact CZ3-CE2 3.59Å; W8-Y29 HydrophobicContact CZ3-CE2 3.59Å; S12-Y29 WeakPolarHBondContact CB-OH 3.47Å; K13-Y29 CarbonylContact O-C 3.53Å; K13-Y29 WeakPolarHBondContact O-CA 3.41Å; Y14-Y29 HydrophobicContact CD2-CD2 4.04Å; Y14-Y29 HydrophobicContact CG-CD2 4.4Å; Y29-W31 AromaticContact CD1-CD2 3.51Å; Y29-W31 HydrophobicContact CD1-CD2 3.51Å; Y29-W31 AromaticContact CD1-CE2 3.38Å; Y29-W31 AromaticContact CD1-CE3 3.64Å; Y29-W31 HydrophobicContact CD1-CE3 3.64Å; Y29-W31 HydrophobicContact CD1-CG 4.24Å; Y29-W31 AromaticContact CD1-CH2 3.51Å; Y29-W31 HydrophobicContact CD1-CH2 3.51Å; Y29-W31 AromaticContact CD1-CZ2 3.37Å; Y29-W31 HydrophobicContact CD1-CZ2 3.37Å; Y29-W31 AromaticContact CD1-CZ3 3.65Å; Y29-W31 HydrophobicContact CD1-CZ3 3.65Å; Y29-W31 AromaticContact CE1-CD1 3.7Å; Y29-W31 AromaticContact CE1-CD2 3.51Å; Y29-W31 HydrophobicContact CE1-CD2 3.51Å; Y29-W31 AromaticContact CE1-CE2 3.19Å; Y29-W31 HydrophobicContact CE1-CE3 4.14Å; Y29-W31 AromaticContact CE1-CG 3.82Å; Y29-W31 HydrophobicContact CE1-CG 3.82Å; Y29-W31 HydrophobicContact CE1-CH2 4.18Å; Y29-W31 AromaticContact CE1-CZ2 3.56Å; Y29-W31 HydrophobicContact CE1-CZ2 3.56Å; Y29-W31 HydrophobicContact CE1-CZ3 4.45Å; Y29-W31 AromaticContact CE1-NE1 3.33Å; Y29-W31 VanDerWaalsContact CE1-NE1 3.33Å; Y29-W31 HydrophobicContact CG-CH2 4.17Å; Y29-W31 HydrophobicContact CG-CZ2 4.24Å; Y29-W31 HydrophobicContact CG-CZ3 4.46Å; Y29-F36 CarbonylContact O-C 3.47Å; Y29-F36 WeakPolarHBondContact O-CA 3.26Å; Y29-F36 WeakPolarHBondContact O-CB 3.43Å; Y29-Y37 PolarHBondContact N-O 3.07Å; Y29-Y37 PolarHBondContact O-N 3.41Å
30S92.1Very high90.4Very high33 Ų3362.6 Ų62.623%0.23132%0.315CS..EExtended strand (participates in β ladder)trans-117.5129.8178.1-540000109.7S12 K13 E35S12-S30 CarbonylContact C-O 3.56Å; S12-S30 WeakPolarHBondContact CA-O 3.04Å; K13-S30 PolarHBondContact N-O 3.4Å; K13-S30 PolarHBondContact O-N 3.39Å; S30-E35 WeakPolarHBondContact CA-O 3.39Å
31W88.7Confident90.6Very high44 Ų4457.7 Ų57.717%0.16729%0.288CS..  trans-95.9157.6175.8-69.3-97.4000110.7Y29 N33 G34 E35 Y52Y29-W31 AromaticContact CD1-CD2 3.51Å; Y29-W31 HydrophobicContact CD1-CD2 3.51Å; Y29-W31 AromaticContact CD1-CE2 3.38Å; Y29-W31 AromaticContact CD1-CE3 3.64Å; Y29-W31 HydrophobicContact CD1-CE3 3.64Å; Y29-W31 HydrophobicContact CD1-CG 4.24Å; Y29-W31 AromaticContact CD1-CH2 3.51Å; Y29-W31 HydrophobicContact CD1-CH2 3.51Å; Y29-W31 AromaticContact CD1-CZ2 3.37Å; Y29-W31 HydrophobicContact CD1-CZ2 3.37Å; Y29-W31 AromaticContact CD1-CZ3 3.65Å; Y29-W31 HydrophobicContact CD1-CZ3 3.65Å; Y29-W31 AromaticContact CE1-CD1 3.7Å; Y29-W31 AromaticContact CE1-CD2 3.51Å; Y29-W31 HydrophobicContact CE1-CD2 3.51Å; Y29-W31 AromaticContact CE1-CE2 3.19Å; Y29-W31 HydrophobicContact CE1-CE3 4.14Å; Y29-W31 AromaticContact CE1-CG 3.82Å; Y29-W31 HydrophobicContact CE1-CG 3.82Å; Y29-W31 HydrophobicContact CE1-CH2 4.18Å; Y29-W31 AromaticContact CE1-CZ2 3.56Å; Y29-W31 HydrophobicContact CE1-CZ2 3.56Å; Y29-W31 HydrophobicContact CE1-CZ3 4.45Å; Y29-W31 AromaticContact CE1-NE1 3.33Å; Y29-W31 VanDerWaalsContact CE1-NE1 3.33Å; Y29-W31 HydrophobicContact CG-CH2 4.17Å; Y29-W31 HydrophobicContact CG-CZ2 4.24Å; Y29-W31 HydrophobicContact CG-CZ3 4.46Å; W31-N33 VanDerWaalsContact CB-OD1 3.24Å; W31-N33 WeakPolarHBondContact CB-OD1 3.27Å; W31-N33 PolarHBondContact O-N 3.2Å; W31-N33 VanDerWaalsContact O-N 3.17Å; W31-G34 PolarHBondContact O-N 3.1Å; W31-E35 HydrophobicContact CB-CB 4.14Å; W31-E35 HydrophobicContact CD2-CB 4.22Å; W31-E35 HydrophobicContact CE3-CB 3.7Å; W31-E35 HydrophobicContact CG-CB 4.44Å; W31-E35 HydrophobicContact CZ3-CB 4.5Å; W31-E35 PolarHBondContact N-O 3.08Å; W31-Y52 AromaticContact CH2-CE2 3.8Å; W31-Y52 HydrophobicContact CH2-CE2 3.8Å; W31-Y52 WeakPolarHBondContact CH2-OH 3.41Å; W31-Y52 AromaticContact CZ3-CE2 3.93Å; W31-Y52 HydrophobicContact CZ3-CE2 3.93Å; W31-Y52 AromaticContact CZ3-CZ 3.89Å; W31-Y52 WeakPolarHBondContact CZ3-OH 3.44Å
32K88.1Confident90.8Very high173 Ų17351.7 Ų51.775%0.75225%0.254SS*.THydrogen-bonded Turntrans-58-29.5179.6174.4173.4170.3-175.50114.4D10 G34D10-K32 WeakPolarHBondContact O-CD 3.14Å; K32-G34 PolarHBondContact O-N 3.03Å
33N82.9Confident90.7Very high88 Ų8850.2 Ų50.247%0.47125%0.248SC..THydrogen-bonded Turntrans-76.2-0.7179.861.92.9000113.6W31 E35 P55W31-N33 VanDerWaalsContact CB-OD1 3.24Å; W31-N33 WeakPolarHBondContact CB-OD1 3.27Å; W31-N33 PolarHBondContact O-N 3.2Å; W31-N33 VanDerWaalsContact O-N 3.17Å; N33-E35 PolarHBondContact ND2-OE1 3.02Å; N33-E35 PolarHBondContact ND2-OE2 3.41Å; N33-E35 VanDerWaalsContact OD1-CB 3.3Å; N33-E35 WeakPolarHBondContact OD1-CB 3.39Å; N33-E35 WeakPolarHBondContact OD1-CG 3.48Å; N33-E35 PolarHBondContact OD1-N 3.16Å; N33-E35 PolarHBondContact OD1-OE2 3.19Å; N33-P55 WeakPolarHBondContact O-CG 3.22Å
34G83.8Confident90.6Very high50 Ų5052.2 Ų52.252%0.51526%0.26SS..SBendtrans910.8-178.500000114.3W31 K32W31-G34 PolarHBondContact O-N 3.1Å; K32-G34 PolarHBondContact O-N 3.03Å
35E89.3Confident90.3Very high13 Ų1351.4 Ų51.46%0.06126%0.256CS..  trans-65.7147.1167.7-74.2158.9-179.700110S30 W31 N33 S53 P55 Y171S30-E35 WeakPolarHBondContact CA-O 3.39Å; W31-E35 HydrophobicContact CB-CB 4.14Å; W31-E35 HydrophobicContact CD2-CB 4.22Å; W31-E35 HydrophobicContact CE3-CB 3.7Å; W31-E35 HydrophobicContact CG-CB 4.44Å; W31-E35 HydrophobicContact CZ3-CB 4.5Å; W31-E35 PolarHBondContact N-O 3.08Å; N33-E35 PolarHBondContact ND2-OE1 3.02Å; N33-E35 PolarHBondContact ND2-OE2 3.41Å; N33-E35 VanDerWaalsContact OD1-CB 3.3Å; N33-E35 WeakPolarHBondContact OD1-CB 3.39Å; N33-E35 WeakPolarHBondContact OD1-CG 3.48Å; N33-E35 PolarHBondContact OD1-N 3.16Å; N33-E35 PolarHBondContact OD1-OE2 3.19Å; E35-S53 WeakPolarHBondContact CA-O 3.37Å; E35-P55 HydrophobicContact CG-CG 3.49Å; E35-P55 VanDerWaalsContact CG-CG 3.49Å; E35-P55 WeakPolarHBondContact OE1-CD 3.27Å; E35-Y171 PolarHBondContact OE1-OH 3.17Å; E35-Y171 VanDerWaalsContact OE1-OH 3.13Å; E35-Y171 WeakPolarHBondContact OE2-CE1 3.39Å
36F92.2Very high90.2Very high42 Ų4252.2 Ų52.218%0.18426%0.257CS..EExtended strand (participates in β ladder)trans-149.1153.1166.670.5-89.1000112.1Y29 E38 S53Y29-F36 CarbonylContact O-C 3.47Å; Y29-F36 WeakPolarHBondContact O-CA 3.26Å; Y29-F36 WeakPolarHBondContact O-CB 3.43Å; F36-E38 HydrophobicContact CD2-CB 4.41Å; F36-S53 VanDerWaalsContact CZ-CB 3.44Å; F36-S53 VanDerWaalsContact CZ-OG 3.32Å; F36-S53 WeakPolarHBondContact CZ-OG 3.44Å; F36-S53 PolarHBondContact N-O 3.3Å; F36-S53 VanDerWaalsContact N-O 3.11Å; F36-S53 PolarHBondContact O-N 3.39Å
37Y93.4Very high90Very high0 Ų046.3 Ų46.30%023%0.231CC..EExtended strand (participates in β ladder)trans-120.4133168.5170.2-94000108R28 Y29 F40 F41 K46 E51 Y52 F64R28-Y37 CarbonylContact C-O 3.5Å; R28-Y37 VanDerWaalsContact CA-O 3.27Å; R28-Y37 WeakPolarHBondContact CA-O 3.19Å; Y29-Y37 PolarHBondContact N-O 3.07Å; Y29-Y37 PolarHBondContact O-N 3.41Å; Y37-F40 PolarHBondContact OH-O 3.16Å; Y37-F41 HydrophobicContact CD1-CE1 4.22Å; Y37-F41 AromaticContact CD1-CE2 3.52Å; Y37-F41 HydrophobicContact CD1-CE2 3.52Å; Y37-F41 AromaticContact CD1-CZ 3.31Å; Y37-F41 HydrophobicContact CD1-CZ 3.31Å; Y37-F41 HydrophobicContact CE1-CD2 4.02Å; Y37-F41 HydrophobicContact CE1-CE1 4.16Å; Y37-F41 AromaticContact CE1-CE2 3.35Å; Y37-F41 HydrophobicContact CE1-CE2 3.35Å; Y37-F41 AromaticContact CE1-CZ 3.46Å; Y37-F41 HydrophobicContact CE1-CZ 3.46Å; Y37-F41 VanDerWaalsContact CE1-CZ 3.46Å; Y37-K46 HydrophobicContact CD1-CD 4.07Å; Y37-K46 HydrophobicContact CD1-CG 3.87Å; Y37-K46 HydrophobicContact CD2-CD 3.8Å; Y37-K46 HydrophobicContact CD2-CG 4.29Å; Y37-K46 HydrophobicContact CE1-CB 4.05Å; Y37-K46 HydrophobicContact CE1-CD 4.22Å; Y37-K46 HydrophobicContact CE1-CG 3.64Å; Y37-K46 HydrophobicContact CE2-CB 4.13Å; Y37-K46 HydrophobicContact CE2-CD 3.95Å; Y37-K46 HydrophobicContact CE2-CG 4.07Å; Y37-K46 HydrophobicContact CG-CD 3.82Å; Y37-K46 HydrophobicContact CG-CG 4.15Å; Y37-E51 CarbonylContact C-O 3.57Å; Y37-E51 VanDerWaalsContact CA-O 3.28Å; Y37-E51 WeakPolarHBondContact CA-O 3.36Å; Y37-E51 WeakPolarHBondContact CD2-O 3.31Å; Y37-Y52 AromaticContact CD2-CD2 3.83Å; Y37-Y52 HydrophobicContact CD2-CD2 3.83Å; Y37-Y52 HydrophobicContact CG-CD2 4.25Å; Y37-F64 HydrophobicContact CD2-CE2 4.28Å; Y37-F64 HydrophobicContact CD2-CZ 4.29Å; Y37-F64 HydrophobicContact CE2-CD1 4.46Å; Y37-F64 AromaticContact CE2-CD2 3.65Å; Y37-F64 HydrophobicContact CE2-CD2 3.65Å; Y37-F64 HydrophobicContact CE2-CE1 4.43Å; Y37-F64 AromaticContact CE2-CE2 3.63Å; Y37-F64 HydrophobicContact CE2-CE2 3.63Å; Y37-F64 HydrophobicContact CE2-CG 4.08Å; Y37-F64 HydrophobicContact CE2-CZ 4.02Å
38E95.3Very high89.7Confident101 Ų10146.5 Ų46.547%0.47223%0.233SC..EExtended strand (participates in β ladder)trans-130.2117.7175.6-175.6172.4179.100108.6G27 R28 F36 G50 E51G27-E38 WeakPolarHBondContact O-CA 3.37Å; R28-E38 HydrophobicContact CB-CB 4.48Å; R28-E38 HydrophobicContact CB-CG 4.34Å; R28-E38 HydrophobicContact CG-CB 4.22Å; R28-E38 HydrophobicContact CG-CG 4.45Å; F36-E38 HydrophobicContact CD2-CB 4.41Å; E38-G50 CarbonylContact O-C 3.53Å; E38-G50 WeakPolarHBondContact O-CA 3.33Å; E38-E51 PolarHBondContact N-O 3.42Å; E38-E51 PolarHBondContact O-N 2.87Å
39G94.6Very high89.6Confident13 Ų1346 Ų4613%0.13424%0.238CC..EExtended strand (participates in β ladder)trans169.9-162.2-173.900000113.5G27 D49G27-G39 PolarHBondContact N-O 3.37Å; G27-G39 PolarHBondContact O-N 3.32Å; G27-G39 VanDerWaalsContact O-O 3.13Å; G39-D49 WeakPolarHBondContact CA-O 3.42Å
40F93.6Very high89.7Confident79 Ų7945.4 Ų45.435%0.34624%0.238SC..EExtended strand (participates in β ladder)trans-81.3140.3178.7-72-85000112.2G25 K26 Y37 H47 D49G25-F40 CarbonylContact O-C 3.51Å; G25-F40 VanDerWaalsContact O-CA 3.29Å; G25-F40 WeakPolarHBondContact O-CA 3.48Å; K26-F40 HydrophobicContact CD-CE1 4.28Å; K26-F40 HydrophobicContact CD-CZ 4.2Å; K26-F40 HydrophobicContact CG-CD1 3.88Å; K26-F40 HydrophobicContact CG-CE1 3.54Å; K26-F40 HydrophobicContact CG-CE2 4.44Å; K26-F40 HydrophobicContact CG-CG 4.48Å; K26-F40 HydrophobicContact CG-CZ 3.87Å; Y37-F40 PolarHBondContact OH-O 3.16Å; F40-H47 CarbonylContact C-O 3.57Å; F40-H47 WeakPolarHBondContact CB-O 3.31Å; F40-H47 PolarHBondContact O-N 3.38Å; F40-D49 HydrophobicContact CD2-CB 4.17Å; F40-D49 WeakPolarHBondContact CD2-O 3.49Å; F40-D49 HydrophobicContact CE2-CB 4.43Å; F40-D49 PolarHBondContact N-O 3.24Å
41F90.7Very high89.8Confident9 Ų945.9 Ų45.94%0.03924%0.237CC..EExtended strand (participates in β ladder)trans-120.3143.7173.5-72.9-95.1000109.6Y14 K23 H24 G25 Y37 F45 K46Y14-F41 HydrophobicContact CD2-CE2 4.31Å; Y14-F41 HydrophobicContact CD2-CZ 4.13Å; Y14-F41 HydrophobicContact CE2-CD1 4.34Å; Y14-F41 AromaticContact CE2-CD2 3.76Å; Y14-F41 HydrophobicContact CE2-CD2 3.76Å; Y14-F41 HydrophobicContact CE2-CE1 4.15Å; Y14-F41 AromaticContact CE2-CE2 3.55Å; Y14-F41 HydrophobicContact CE2-CE2 3.55Å; Y14-F41 HydrophobicContact CE2-CG 4.14Å; Y14-F41 AromaticContact CE2-CZ 3.73Å; Y14-F41 HydrophobicContact CE2-CZ 3.73Å; K23-F41 HydrophobicContact CB-CB 4.08Å; K23-F41 HydrophobicContact CB-CD1 4.04Å; K23-F41 HydrophobicContact CB-CG 4.18Å; K23-F41 HydrophobicContact CD-CD1 4.27Å; K23-F41 HydrophobicContact CD-CE1 4.29Å; H24-F41 CarbonylContact C-O 3.55Å; H24-F41 VanDerWaalsContact C-O 3.29Å; H24-F41 VanDerWaalsContact CA-O 3.31Å; H24-F41 WeakPolarHBondContact CA-O 3.48Å; G25-F41 PolarHBondContact N-O 3.12Å; G25-F41 PolarHBondContact O-N 2.56Å; Y37-F41 HydrophobicContact CD1-CE1 4.22Å; Y37-F41 AromaticContact CD1-CE2 3.52Å; Y37-F41 HydrophobicContact CD1-CE2 3.52Å; Y37-F41 AromaticContact CD1-CZ 3.31Å; Y37-F41 HydrophobicContact CD1-CZ 3.31Å; Y37-F41 HydrophobicContact CE1-CD2 4.02Å; Y37-F41 HydrophobicContact CE1-CE1 4.16Å; Y37-F41 AromaticContact CE1-CE2 3.35Å; Y37-F41 HydrophobicContact CE1-CE2 3.35Å; Y37-F41 AromaticContact CE1-CZ 3.46Å; Y37-F41 HydrophobicContact CE1-CZ 3.46Å; Y37-F41 VanDerWaalsContact CE1-CZ 3.46Å; F41-F45 CarbonylContact C-O 3.6Å; F41-F45 VanDerWaalsContact CA-O 3.28Å; F41-F45 WeakPolarHBondContact CA-O 3.28Å; F41-K46 HydrophobicContact CE1-CG 4.01Å; F41-K46 HydrophobicContact CZ-CG 4.43Å
42Y88.6Confident90Very high28 Ų2844 Ų4411%0.1123%0.23CC..EExtended strand (participates in β ladder)trans-139.5108.6172.4-167.6-88.6000110.2H24 D44 F45 E187 L188 V191H24-Y42 AromaticContact CE1-CD2 3.25Å; H24-Y42 WeakPolarHBondContact CE1-CD2 3.5Å; H24-Y42 AromaticContact CE1-CE2 3.26Å; H24-Y42 WeakPolarHBondContact CE1-CE2 3.43Å; H24-Y42 AromaticContact ND1-CD2 3.91Å; H24-Y42 AromaticContact NE2-CD2 3.94Å; H24-Y42 AromaticContact NE2-CE2 3.97Å; Y42-D44 PolarHBondContact O-N 3.01Å; Y42-F45 PolarHBondContact N-O 3.47Å; Y42-F45 PolarHBondContact O-N 2.92Å; Y42-F45 VanDerWaalsContact O-N 3.17Å; Y42-E187 HydrophobicContact CE1-CG 4.22Å; Y42-E187 WeakPolarHBondContact OH-CG 3.17Å; Y42-E187 PolarHBondContact OH-OE1 3.34Å; Y42-L188 HydrophobicContact CD1-CD2 3.47Å; Y42-L188 VanDerWaalsContact CD1-CD2 3.47Å; Y42-L188 HydrophobicContact CD1-CG 4.2Å; Y42-L188 HydrophobicContact CE1-CD2 4.13Å; Y42-L188 HydrophobicContact CE1-CG 4.39Å; Y42-L188 HydrophobicContact CG-CD2 4.33Å; Y42-V191 HydrophobicContact CD2-CG1 4.01Å; Y42-V191 HydrophobicContact CD2-CG2 4.15Å; Y42-V191 HydrophobicContact CE2-CB 4.49Å; Y42-V191 HydrophobicContact CE2-CG1 4.31Å; Y42-V191 HydrophobicContact CE2-CG2 3.64Å
43K85.6Confident90.2Very high49 Ų4936.5 Ų36.521%0.21320%0.199CC..THydrogen-bonded Turntrans52.353.8-178.9-60.3-174.4-178.3179.90111.9K23 F45 E187K23-K43 PolarHBondContact O-N 3.33Å; K23-K43 VanDerWaalsContact O-N 3.11Å; K43-F45 VanDerWaalsContact O-CD2 3.23Å; K43-F45 WeakPolarHBondContact O-CD2 3.33Å; K43-F45 PolarHBondContact O-N 2.98Å; K43-E187 WeakPolarHBondContact CE-OE1 3.39Å; K43-E187 IonicContact NZ-OE1 2.8Å; K43-E187 PolarHBondContact NZ-OE1 3.3Å; K43-E187 IonicContact NZ-OE2 2.86Å; K43-E187 PolarHBondContact NZ-OE2 3.2Å
44D86.7Confident90.4Very high69 Ų6933.5 Ų33.537%0.36918%0.181SC..THydrogen-bonded Turntrans72.7-14.7-175.2-67.2-25.7000117.7F22 K23 Y42F22-D44 VanDerWaalsContact CD1-OD2 3.26Å; F22-D44 WeakPolarHBondContact CD1-OD2 3.42Å; K23-D44 WeakPolarHBondContact CB-OD1 3.08Å; K23-D44 WeakPolarHBondContact CG-OD1 3.35Å; K23-D44 PolarHBondContact N-OD1 2.93Å; K23-D44 PolarHBondContact O-N 2.76Å; Y42-D44 PolarHBondContact O-N 3.01Å
45F84.4Confident90.5Very high23 Ų2334.6 Ų34.610%0.10118%0.179CC..EExtended strand (participates in β ladder)trans-83.2137.8178.1-62.8-80.7000111.3F41 Y42 K43 H47 L66 N67 L180F41-F45 CarbonylContact C-O 3.6Å; F41-F45 VanDerWaalsContact CA-O 3.28Å; F41-F45 WeakPolarHBondContact CA-O 3.28Å; Y42-F45 PolarHBondContact N-O 3.47Å; Y42-F45 PolarHBondContact O-N 2.92Å; Y42-F45 VanDerWaalsContact O-N 3.17Å; K43-F45 VanDerWaalsContact O-CD2 3.23Å; K43-F45 WeakPolarHBondContact O-CD2 3.33Å; K43-F45 PolarHBondContact O-N 2.98Å; F45-H47 PolarHBondContact O-N 3.15Å; F45-L66 HydrophobicContact CB-CD2 4.37Å; F45-L66 HydrophobicContact CD1-CD2 3.94Å; F45-L66 HydrophobicContact CD2-CD2 4.25Å; F45-L66 HydrophobicContact CE1-CD2 4.33Å; F45-L66 HydrophobicContact CG-CD2 3.91Å; F45-N67 WeakPolarHBondContact CD1-ND2 3.35Å; F45-L180 HydrophobicContact CE2-CD2 4.26Å; F45-L180 HydrophobicContact CZ-CD2 4.15Å
46K89.1Confident90.2Very high27 Ų2736.3 Ų36.312%0.11719%0.193CC..EExtended strand (participates in β ladder)trans-62.3117.4162.1-59169.3-94.3160.40107.3Y37 F41 F64 L66 N67Y37-K46 HydrophobicContact CD1-CD 4.07Å; Y37-K46 HydrophobicContact CD1-CG 3.87Å; Y37-K46 HydrophobicContact CD2-CD 3.8Å; Y37-K46 HydrophobicContact CD2-CG 4.29Å; Y37-K46 HydrophobicContact CE1-CB 4.05Å; Y37-K46 HydrophobicContact CE1-CD 4.22Å; Y37-K46 HydrophobicContact CE1-CG 3.64Å; Y37-K46 HydrophobicContact CE2-CB 4.13Å; Y37-K46 HydrophobicContact CE2-CD 3.95Å; Y37-K46 HydrophobicContact CE2-CG 4.07Å; Y37-K46 HydrophobicContact CG-CD 3.82Å; Y37-K46 HydrophobicContact CG-CG 4.15Å; F41-K46 HydrophobicContact CE1-CG 4.01Å; F41-K46 HydrophobicContact CZ-CG 4.43Å; K46-F64 HydrophobicContact CB-CB 4.06Å; K46-F64 HydrophobicContact CB-CD1 4.49Å; K46-F64 HydrophobicContact CB-CG 4.35Å; K46-L66 PolarHBondContact O-N 3.4Å; K46-N67 WeakPolarHBondContact CE-OD1 3.46Å; K46-N67 PolarHBondContact N-OD1 3.35Å; K46-N67 PolarHBondContact NZ-O 2.77Å; K46-N67 VanDerWaalsContact NZ-O 3.1Å; K46-N67 PolarHBondContact O-N 3.35Å; K46-N67 VanDerWaalsContact O-N 3.12Å
47H88.5Confident89.9Confident4 Ų436.4 Ų36.42%0.01921%0.205CC..EExtended strand (participates in β ladder)trans-153.6118.8-166.9-160.990.9000111.3F40 F45 F64 Y65 L188 F192F40-H47 CarbonylContact C-O 3.57Å; F40-H47 WeakPolarHBondContact CB-O 3.31Å; F40-H47 PolarHBondContact O-N 3.38Å; F45-H47 PolarHBondContact O-N 3.15Å; H47-F64 CarbonylContact C-O 3.54Å; H47-F64 VanDerWaalsContact CA-O 3.22Å; H47-F64 WeakPolarHBondContact CA-O 3.46Å; H47-Y65 AromaticContact CE1-CD2 3.38Å; H47-Y65 WeakPolarHBondContact CE1-CD2 3.35Å; H47-Y65 AromaticContact CE1-CE2 3.66Å; H47-Y65 AromaticContact ND1-CD2 3.96Å; H47-L188 PolarHBondContact CE1-O 3.23Å; H47-L188 PolarHBondContact NE2-O 3.45Å; H47-F192 WeakPolarHBondContact NE2-CB 2.93Å
48G89.9Confident89.7Confident15 Ų1537.8 Ų37.816%0.15521%0.211CC..EExtended strand (participates in β ladder)trans96.4-156.3-170.800000112.3K63 F64G48-K63 CarbonylContact O-C 3.58Å; G48-K63 WeakPolarHBondContact O-CA 3.42Å; G48-F64 PolarHBondContact N-O 2.91Å; G48-F64 PolarHBondContact O-N 3.47Å
49D92Very high89.6Confident84 Ų8435.9 Ų35.945%0.44920%0.202SC..EExtended strand (participates in β ladder)trans-71.2139.7-176.7-56.5-63.3000112.1G39 F40 K63G39-D49 WeakPolarHBondContact CA-O 3.42Å; F40-D49 HydrophobicContact CD2-CB 4.17Å; F40-D49 WeakPolarHBondContact CD2-O 3.49Å; F40-D49 HydrophobicContact CE2-CB 4.43Å; F40-D49 PolarHBondContact N-O 3.24Å; D49-K63 WeakPolarHBondContact OD1-CE 3.12Å; D49-K63 WeakPolarHBondContact OD1-CG 3.41Å
50G94.1Very high89.5Confident9 Ų935.3 Ų35.39%0.09320%0.196CC..EExtended strand (participates in β ladder)trans-164162.3177.500000114.2E38 G62E38-G50 CarbonylContact O-C 3.53Å; E38-G50 WeakPolarHBondContact O-CA 3.33Å; G50-G62 PolarHBondContact N-O 2.71Å; G50-G62 PolarHBondContact O-N 2.95Å
51E95.1Very high89.5Confident44 Ų4435 Ų3521%0.20620%0.197CC..EExtended strand (participates in β ladder)trans-114.2130.7172.3179.4179.914100109Y37 E38 S53 K59 F60 I61Y37-E51 CarbonylContact C-O 3.57Å; Y37-E51 VanDerWaalsContact CA-O 3.28Å; Y37-E51 WeakPolarHBondContact CA-O 3.36Å; Y37-E51 WeakPolarHBondContact CD2-O 3.31Å; E38-E51 PolarHBondContact N-O 3.42Å; E38-E51 PolarHBondContact O-N 2.87Å; E51-S53 PolarHBondContact OE1-OG 3.32Å; E51-K59 HydrophobicContact CG-CD 4.32Å; E51-K59 HydrophobicContact CG-CG 4.21Å; E51-K59 WeakPolarHBondContact OE1-CD 3.32Å; E51-K59 WeakPolarHBondContact OE1-CE 3.35Å; E51-K59 IonicContact OE1-NZ 2.63Å; E51-K59 PolarHBondContact OE1-NZ 3.45Å; E51-K59 WeakPolarHBondContact OE2-CE 3.39Å; E51-K59 IonicContact OE2-NZ 2.74Å; E51-K59 PolarHBondContact OE2-NZ 2.93Å; E51-F60 CarbonylContact C-O 3.46Å; E51-F60 VanDerWaalsContact CA-O 3.29Å; E51-F60 WeakPolarHBondContact CA-O 3.18Å; E51-I61 HydrophobicContact CG-CG1 4.2Å
52Y92.1Very high89.6Confident4 Ų435.1 Ų35.12%0.01620%0.2CC..EExtended strand (participates in β ladder)trans-119.4126173.5-160.5-70.2000109.7W31 Y37 W54 K59 F60 Y171W31-Y52 AromaticContact CH2-CE2 3.8Å; W31-Y52 HydrophobicContact CH2-CE2 3.8Å; W31-Y52 WeakPolarHBondContact CH2-OH 3.41Å; W31-Y52 AromaticContact CZ3-CE2 3.93Å; W31-Y52 HydrophobicContact CZ3-CE2 3.93Å; W31-Y52 AromaticContact CZ3-CZ 3.89Å; W31-Y52 WeakPolarHBondContact CZ3-OH 3.44Å; Y37-Y52 AromaticContact CD2-CD2 3.83Å; Y37-Y52 HydrophobicContact CD2-CD2 3.83Å; Y37-Y52 HydrophobicContact CG-CD2 4.25Å; Y52-W54 AromaticContact CD1-CD2 3.64Å; Y52-W54 HydrophobicContact CD1-CD2 3.64Å; Y52-W54 AromaticContact CD1-CE2 3.25Å; Y52-W54 HydrophobicContact CD1-CE3 4.02Å; Y52-W54 HydrophobicContact CD1-CG 4.24Å; Y52-W54 AromaticContact CD1-CH2 3.74Å; Y52-W54 HydrophobicContact CD1-CH2 3.74Å; Y52-W54 AromaticContact CD1-CZ2 3.31Å; Y52-W54 HydrophobicContact CD1-CZ2 3.31Å; Y52-W54 HydrophobicContact CD1-CZ3 4.09Å; Y52-W54 AromaticContact CD1-NE1 3.64Å; Y52-W54 AromaticContact CE1-CD1 3.68Å; Y52-W54 AromaticContact CE1-CD2 3.95Å; Y52-W54 HydrophobicContact CE1-CD2 3.95Å; Y52-W54 AromaticContact CE1-CE2 3.42Å; Y52-W54 VanDerWaalsContact CE1-CE2 3.42Å; Y52-W54 HydrophobicContact CE1-CG 4.12Å; Y52-W54 AromaticContact CE1-CZ2 3.83Å; Y52-W54 HydrophobicContact CE1-CZ2 3.83Å; Y52-W54 AromaticContact CE1-NE1 3.24Å; Y52-W54 HydrophobicContact CG-CH2 4.14Å; Y52-W54 AromaticContact CG-CZ2 3.95Å; Y52-W54 HydrophobicContact CG-CZ2 3.95Å; Y52-K59 CarbonylContact O-C 3.56Å; Y52-K59 WeakPolarHBondContact O-CA 3.26Å; Y52-F60 PolarHBondContact N-O 2.88Å; Y52-F60 PolarHBondContact O-N 3.02Å; Y52-Y171 HydrophobicContact CE1-CE1 4.15Å; Y52-Y171 AromaticContact CZ-CE1 3.74Å; Y52-Y171 WeakPolarHBondContact OH-CD1 3.42Å; Y52-Y171 WeakPolarHBondContact OH-CE1 3.29Å
53S91.8Very high89.7Confident15 Ų1536 Ų3611%0.10521%0.205CC..EExtended strand (participates in β ladder)trans-120.8133.3179.6-72.20000111.2E35 F36 E51E35-S53 WeakPolarHBondContact CA-O 3.37Å; F36-S53 VanDerWaalsContact CZ-CB 3.44Å; F36-S53 VanDerWaalsContact CZ-OG 3.32Å; F36-S53 WeakPolarHBondContact CZ-OG 3.44Å; F36-S53 PolarHBondContact N-O 3.3Å; F36-S53 VanDerWaalsContact N-O 3.11Å; F36-S53 PolarHBondContact O-N 3.39Å; E51-S53 PolarHBondContact OE1-OG 3.32Å
54W88.3Confident89.9Confident25 Ų2533.8 Ų33.810%0.09520%0.195CC..  trans-104.3153.4-178.9-68.8-81.6000111.8Y52 S56 G57 H58 F60 L75 I168 Y171Y52-W54 AromaticContact CD1-CD2 3.64Å; Y52-W54 HydrophobicContact CD1-CD2 3.64Å; Y52-W54 AromaticContact CD1-CE2 3.25Å; Y52-W54 HydrophobicContact CD1-CE3 4.02Å; Y52-W54 HydrophobicContact CD1-CG 4.24Å; Y52-W54 AromaticContact CD1-CH2 3.74Å; Y52-W54 HydrophobicContact CD1-CH2 3.74Å; Y52-W54 AromaticContact CD1-CZ2 3.31Å; Y52-W54 HydrophobicContact CD1-CZ2 3.31Å; Y52-W54 HydrophobicContact CD1-CZ3 4.09Å; Y52-W54 AromaticContact CD1-NE1 3.64Å; Y52-W54 AromaticContact CE1-CD1 3.68Å; Y52-W54 AromaticContact CE1-CD2 3.95Å; Y52-W54 HydrophobicContact CE1-CD2 3.95Å; Y52-W54 AromaticContact CE1-CE2 3.42Å; Y52-W54 VanDerWaalsContact CE1-CE2 3.42Å; Y52-W54 HydrophobicContact CE1-CG 4.12Å; Y52-W54 AromaticContact CE1-CZ2 3.83Å; Y52-W54 HydrophobicContact CE1-CZ2 3.83Å; Y52-W54 AromaticContact CE1-NE1 3.24Å; Y52-W54 HydrophobicContact CG-CH2 4.14Å; Y52-W54 AromaticContact CG-CZ2 3.95Å; Y52-W54 HydrophobicContact CG-CZ2 3.95Å; W54-S56 WeakPolarHBondContact CB-OG 3.25Å; W54-S56 PolarHBondContact O-N 3.45Å; W54-G57 PolarHBondContact O-N 3.4Å; W54-H58 HydrophobicContact CB-CB 4.21Å; W54-H58 HydrophobicContact CD2-CB 4.17Å; W54-H58 HydrophobicContact CE3-CB 3.57Å; W54-H58 HydrophobicContact CG-CB 4.44Å; W54-H58 HydrophobicContact CZ3-CB 4.33Å; W54-H58 PolarHBondContact N-O 3.44Å; W54-F60 HydrophobicContact CH2-CB 3.57Å; W54-F60 HydrophobicContact CZ3-CB 3.54Å; W54-L75 HydrophobicContact CZ3-CD1 4.01Å; W54-I168 HydrophobicContact CG-CD1 4.46Å; W54-Y171 AromaticContact CD1-CZ 3.82Å; W54-Y171 AromaticContact NE1-CE2 3.87Å; W54-Y171 AromaticContact NE1-CZ 3.38Å; W54-Y171 PolarHBondContact NE1-OH 2.91Å
55P85.7Confident89.9Confident73 Ų7332 Ų3247%0.47418%0.183SC..THydrogen-bonded Turntrans-70.1-21.5179.2-11.732.4000110.7N33 E35 G57N33-P55 WeakPolarHBondContact O-CG 3.22Å; E35-P55 HydrophobicContact CG-CG 3.49Å; E35-P55 VanDerWaalsContact CG-CG 3.49Å; E35-P55 WeakPolarHBondContact OE1-CD 3.27Å; P55-G57 PolarHBondContact O-N 2.89Å
56S83Confident89.8Confident50 Ų5032.4 Ų32.435%0.3519%0.186SC..THydrogen-bonded Turntrans-67.7-5.8171.961.20000113.4W54 H58W54-S56 WeakPolarHBondContact CB-OG 3.25Å; W54-S56 PolarHBondContact O-N 3.45Å; S56-H58 VanDerWaalsContact C-N 3.33Å; S56-H58 PolarHBondContact OG-ND1 2.79Å
57G84.8Confident89.5Confident43 Ų4332.7 Ų32.744%0.44319%0.189SC..SBendtrans84.62.4-179.200000114.5W54 P55W54-G57 PolarHBondContact O-N 3.4Å; P55-G57 PolarHBondContact O-N 2.89Å
58H89.4Confident89.2Confident29 Ų2937.4 Ų37.413%0.13421%0.207CC..  trans-69.2150.1166.9-62.376000109.3W54 S56 I76 Y77 P78W54-H58 HydrophobicContact CB-CB 4.21Å; W54-H58 HydrophobicContact CD2-CB 4.17Å; W54-H58 HydrophobicContact CE3-CB 3.57Å; W54-H58 HydrophobicContact CG-CB 4.44Å; W54-H58 HydrophobicContact CZ3-CB 4.33Å; W54-H58 PolarHBondContact N-O 3.44Å; S56-H58 VanDerWaalsContact C-N 3.33Å; S56-H58 PolarHBondContact OG-ND1 2.79Å; H58-I76 WeakPolarHBondContact CA-O 3.28Å; H58-Y77 AromaticContact CD2-CD1 3.51Å; H58-Y77 AromaticContact CD2-CE1 3.86Å; H58-Y77 AromaticContact NE2-CD1 3.5Å; H58-Y77 WeakPolarHBondContact NE2-CD1 3.28Å; H58-Y77 AromaticContact NE2-CE1 3.92Å; H58-P78 WeakPolarHBondContact NE2-CD 3.39Å
59K92.7Very high89.2Confident62 Ų6237.7 Ų37.727%0.2720%0.204SC..EExtended strand (participates in β ladder)trans-145.1134.5174.3171.5168.6158155.20110.6E51 Y52 I61 L75 I76E51-K59 HydrophobicContact CG-CD 4.32Å; E51-K59 HydrophobicContact CG-CG 4.21Å; E51-K59 WeakPolarHBondContact OE1-CD 3.32Å; E51-K59 WeakPolarHBondContact OE1-CE 3.35Å; E51-K59 IonicContact OE1-NZ 2.63Å; E51-K59 PolarHBondContact OE1-NZ 3.45Å; E51-K59 WeakPolarHBondContact OE2-CE 3.39Å; E51-K59 IonicContact OE2-NZ 2.74Å; E51-K59 PolarHBondContact OE2-NZ 2.93Å; Y52-K59 CarbonylContact O-C 3.56Å; Y52-K59 WeakPolarHBondContact O-CA 3.26Å; K59-I61 HydrophobicContact CG-CG1 4.36Å; K59-L75 CarbonylContact O-C 3.54Å; K59-L75 WeakPolarHBondContact O-CA 3.43Å; K59-I76 HydrophobicContact CB-CB 4.33Å; K59-I76 HydrophobicContact CD-CD1 4.46Å; K59-I76 HydrophobicContact CG-CD1 4.42Å; K59-I76 PolarHBondContact N-O 3.43Å; K59-I76 PolarHBondContact O-N 2.91Å
60F93.1Very high89Confident1 Ų134.3 Ų34.30%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-118.9133.1177.7177-93.5000109.6E51 Y52 W54 F64 K69 C74 L75 Y87E51-F60 CarbonylContact C-O 3.46Å; E51-F60 VanDerWaalsContact CA-O 3.29Å; E51-F60 WeakPolarHBondContact CA-O 3.18Å; Y52-F60 PolarHBondContact N-O 2.88Å; Y52-F60 PolarHBondContact O-N 3.02Å; W54-F60 HydrophobicContact CH2-CB 3.57Å; W54-F60 HydrophobicContact CZ3-CB 3.54Å; F60-F64 HydrophobicContact CD1-CE1 4.38Å; F60-F64 AromaticContact CD1-CE2 3.76Å; F60-F64 HydrophobicContact CD1-CE2 3.76Å; F60-F64 AromaticContact CD1-CZ 3.45Å; F60-F64 HydrophobicContact CD1-CZ 3.45Å; F60-F64 VanDerWaalsContact CD1-CZ 3.45Å; F60-F64 HydrophobicContact CE1-CE1 4.44Å; F60-F64 AromaticContact CE1-CE2 3.76Å; F60-F64 HydrophobicContact CE1-CE2 3.76Å; F60-F64 AromaticContact CE1-CZ 3.72Å; F60-F64 HydrophobicContact CE1-CZ 3.72Å; F60-K69 HydrophobicContact CD1-CD 4.19Å; F60-K69 HydrophobicContact CD1-CG 3.97Å; F60-K69 HydrophobicContact CD2-CD 3.92Å; F60-K69 HydrophobicContact CD2-CG 4.47Å; F60-K69 HydrophobicContact CE1-CB 3.99Å; F60-K69 HydrophobicContact CE1-CD 4.1Å; F60-K69 HydrophobicContact CE1-CG 3.59Å; F60-K69 HydrophobicContact CE2-CB 4.36Å; F60-K69 HydrophobicContact CE2-CD 3.83Å; F60-K69 HydrophobicContact CE2-CG 4.15Å; F60-K69 HydrophobicContact CG-CD 4.08Å; F60-K69 HydrophobicContact CG-CG 4.37Å; F60-K69 HydrophobicContact CZ-CB 3.72Å; F60-K69 HydrophobicContact CZ-CD 3.91Å; F60-K69 HydrophobicContact CZ-CG 3.68Å; F60-C74 CarbonylContact C-O 3.48Å; F60-C74 VanDerWaalsContact CA-O 3.28Å; F60-C74 WeakPolarHBondContact CA-O 3.39Å; F60-L75 HydrophobicContact CB-CD1 4.08Å; F60-L75 HydrophobicContact CD2-CB 4.2Å; F60-L75 HydrophobicContact CD2-CD1 4.44Å; F60-Y87 HydrophobicContact CE2-CD1 4.48Å; F60-Y87 HydrophobicContact CE2-CD2 4Å; F60-Y87 HydrophobicContact CE2-CE1 4.18Å; F60-Y87 AromaticContact CE2-CE2 3.69Å; F60-Y87 HydrophobicContact CE2-CE2 3.69Å; F60-Y87 HydrophobicContact CE2-CG 4.39Å; F60-Y87 AromaticContact CE2-CZ 3.76Å; F60-Y87 HydrophobicContact CZ-CD2 4.37Å; F60-Y87 HydrophobicContact CZ-CE2 4.47Å
61I93.9Very high88.8Confident73 Ų7333.9 Ų33.937%0.37418%0.181SC..EExtended strand (participates in β ladder)trans-126120.1176.6-54171.1000106.9E51 K59 G73 C74 I76E51-I61 HydrophobicContact CG-CG1 4.2Å; K59-I61 HydrophobicContact CG-CG1 4.36Å; I61-G73 CarbonylContact O-C 3.29Å; I61-G73 WeakPolarHBondContact O-CA 3.33Å; I61-C74 PolarHBondContact N-O 2.93Å; I61-C74 PolarHBondContact O-N 3.17Å; I61-I76 HydrophobicContact CD1-CD1 4.28Å
62G92.8Very high88.6Confident11 Ų1132.2 Ų32.211%0.11317%0.173CC..EExtended strand (participates in β ladder)trans169.3-162.4-179.200000111.9G50G50-G62 PolarHBondContact N-O 2.71Å; G50-G62 PolarHBondContact O-N 2.95Å
63K91.4Very high88.7Confident45 Ų4532.3 Ų32.320%0.19618%0.175CC..EExtended strand (participates in β ladder)trans-91.3146.1179.5-75.3-172.7-179.4-166.30112.6G48 D49 E70 F192G48-K63 CarbonylContact O-C 3.58Å; G48-K63 WeakPolarHBondContact O-CA 3.42Å; D49-K63 WeakPolarHBondContact OD1-CE 3.12Å; D49-K63 WeakPolarHBondContact OD1-CG 3.41Å; K63-E70 CarbonylContact C-O 3.55Å; K63-E70 VanDerWaalsContact CB-O 3.23Å; K63-E70 WeakPolarHBondContact CB-O 3.49Å; K63-E70 PolarHBondContact O-N 3.31Å; K63-F192 HydrophobicContact CB-CE2 3.9Å; K63-F192 HydrophobicContact CB-CZ 3.92Å; K63-F192 HydrophobicContact CD-CE2 4.18Å; K63-F192 HydrophobicContact CD-CZ 4.09Å; K63-F192 HydrophobicContact CG-CE2 4.48Å
64F89.8Confident88.8Confident3 Ų332.6 Ų32.61%0.01318%0.177CC..EExtended strand (participates in β ladder)trans-118.5135174.5-69-96.4000109.7Y37 K46 H47 G48 F60 R68 K69 F192Y37-F64 HydrophobicContact CD2-CE2 4.28Å; Y37-F64 HydrophobicContact CD2-CZ 4.29Å; Y37-F64 HydrophobicContact CE2-CD1 4.46Å; Y37-F64 AromaticContact CE2-CD2 3.65Å; Y37-F64 HydrophobicContact CE2-CD2 3.65Å; Y37-F64 HydrophobicContact CE2-CE1 4.43Å; Y37-F64 AromaticContact CE2-CE2 3.63Å; Y37-F64 HydrophobicContact CE2-CE2 3.63Å; Y37-F64 HydrophobicContact CE2-CG 4.08Å; Y37-F64 HydrophobicContact CE2-CZ 4.02Å; K46-F64 HydrophobicContact CB-CB 4.06Å; K46-F64 HydrophobicContact CB-CD1 4.49Å; K46-F64 HydrophobicContact CB-CG 4.35Å; H47-F64 CarbonylContact C-O 3.54Å; H47-F64 VanDerWaalsContact CA-O 3.22Å; H47-F64 WeakPolarHBondContact CA-O 3.46Å; G48-F64 PolarHBondContact N-O 2.91Å; G48-F64 PolarHBondContact O-N 3.47Å; F60-F64 HydrophobicContact CD1-CE1 4.38Å; F60-F64 AromaticContact CD1-CE2 3.76Å; F60-F64 HydrophobicContact CD1-CE2 3.76Å; F60-F64 AromaticContact CD1-CZ 3.45Å; F60-F64 HydrophobicContact CD1-CZ 3.45Å; F60-F64 VanDerWaalsContact CD1-CZ 3.45Å; F60-F64 HydrophobicContact CE1-CE1 4.44Å; F60-F64 AromaticContact CE1-CE2 3.76Å; F60-F64 HydrophobicContact CE1-CE2 3.76Å; F60-F64 AromaticContact CE1-CZ 3.72Å; F60-F64 HydrophobicContact CE1-CZ 3.72Å; F64-R68 CarbonylContact C-O 3.58Å; F64-R68 WeakPolarHBondContact CA-O 3.3Å; F64-K69 HydrophobicContact CD1-CG 4.45Å; F64-K69 HydrophobicContact CE1-CG 3.9Å; F64-K69 HydrophobicContact CZ-CG 4.33Å; F64-F192 VanDerWaalsContact O-CE2 3.23Å; F64-F192 WeakPolarHBondContact O-CE2 3.38Å
65Y86Confident89Confident31 Ų3132.3 Ų32.312%0.12218%0.177CC..EExtended strand (participates in β ladder)trans-127.1118170.7178.5-94.8000107.9H47 N67 R68 K185 D189 F192H47-Y65 AromaticContact CE1-CD2 3.38Å; H47-Y65 WeakPolarHBondContact CE1-CD2 3.35Å; H47-Y65 AromaticContact CE1-CE2 3.66Å; H47-Y65 AromaticContact ND1-CD2 3.96Å; Y65-N67 PolarHBondContact O-N 2.98Å; Y65-R68 PolarHBondContact N-O 3Å; Y65-R68 PolarHBondContact O-N 3.35Å; Y65-R68 VanDerWaalsContact O-N 3.14Å; Y65-K185 WeakPolarHBondContact OH-CE 3.36Å; Y65-D189 WeakPolarHBondContact CE2-OD1 3.35Å; Y65-D189 PolarHBondContact OH-OD1 2.98Å; Y65-F192 HydrophobicContact CD2-CB 3.98Å; Y65-F192 HydrophobicContact CD2-CD1 4.11Å; Y65-F192 HydrophobicContact CD2-CD2 4.03Å; Y65-F192 AromaticContact CD2-CG 3.78Å; Y65-F192 HydrophobicContact CD2-CG 3.78Å; Y65-F192 HydrophobicContact CE2-CB 4.37Å
66L81.4Confident89.3Confident32 Ų3231.2 Ų31.217%0.16817%0.167CC..THydrogen-bonded Turntrans51.755.5-178.9-62.2178.5000112.4F45 K46 R68 L180 L188F45-L66 HydrophobicContact CB-CD2 4.37Å; F45-L66 HydrophobicContact CD1-CD2 3.94Å; F45-L66 HydrophobicContact CD2-CD2 4.25Å; F45-L66 HydrophobicContact CE1-CD2 4.33Å; F45-L66 HydrophobicContact CG-CD2 3.91Å; K46-L66 PolarHBondContact O-N 3.4Å; L66-R68 PolarHBondContact O-N 3.18Å; L66-R68 VanDerWaalsContact O-N 3.09Å; L66-L180 HydrophobicContact CD1-CD1 3.56Å; L66-L180 HydrophobicContact CD2-CD1 3.64Å; L66-L180 HydrophobicContact CG-CD1 4.26Å; L66-L188 HydrophobicContact CD2-CD1 3.73Å; L66-L188 HydrophobicContact CD2-CD2 4.13Å; L66-L188 HydrophobicContact CD2-CG 4.5Å
67N83.1Confident89.7Confident33 Ų3331.8 Ų31.818%0.17616%0.162CC..THydrogen-bonded Turntrans70.8-9.8-179.7-58.1-39.6000117.1F45 K46 Y65 D176F45-N67 WeakPolarHBondContact CD1-ND2 3.35Å; K46-N67 WeakPolarHBondContact CE-OD1 3.46Å; K46-N67 PolarHBondContact N-OD1 3.35Å; K46-N67 PolarHBondContact NZ-O 2.77Å; K46-N67 VanDerWaalsContact NZ-O 3.1Å; K46-N67 PolarHBondContact O-N 3.35Å; K46-N67 VanDerWaalsContact O-N 3.12Å; Y65-N67 PolarHBondContact O-N 2.98Å; N67-D176 PolarHBondContact ND2-OD1 3.17Å
68R83.8Confident89.8Confident104 Ų10433.5 Ų33.539%0.39217%0.165SC..EExtended strand (participates in β ladder)trans-104.4150.8-177.6-56.3-176.6-176-177.1-4.4111.8F64 Y65 L66 D90F64-R68 CarbonylContact C-O 3.58Å; F64-R68 WeakPolarHBondContact CA-O 3.3Å; Y65-R68 PolarHBondContact N-O 3Å; Y65-R68 PolarHBondContact O-N 3.35Å; Y65-R68 VanDerWaalsContact O-N 3.14Å; L66-R68 PolarHBondContact O-N 3.18Å; L66-R68 VanDerWaalsContact O-N 3.09Å; R68-D90 WeakPolarHBondContact CA-OD1 3.26Å; R68-D90 WeakPolarHBondContact CB-OD2 3.41Å; R68-D90 WeakPolarHBondContact CG-OD2 3.3Å
69K88.3Confident89.5Confident20 Ų2035.1 Ų35.19%0.08719%0.189CC..EExtended strand (participates in β ladder)trans-68.9131.9173.3-53.2161.6-169.6171.20109.4F60 F64 Y87 S89 D90F60-K69 HydrophobicContact CD1-CD 4.19Å; F60-K69 HydrophobicContact CD1-CG 3.97Å; F60-K69 HydrophobicContact CD2-CD 3.92Å; F60-K69 HydrophobicContact CD2-CG 4.47Å; F60-K69 HydrophobicContact CE1-CB 3.99Å; F60-K69 HydrophobicContact CE1-CD 4.1Å; F60-K69 HydrophobicContact CE1-CG 3.59Å; F60-K69 HydrophobicContact CE2-CB 4.36Å; F60-K69 HydrophobicContact CE2-CD 3.83Å; F60-K69 HydrophobicContact CE2-CG 4.15Å; F60-K69 HydrophobicContact CG-CD 4.08Å; F60-K69 HydrophobicContact CG-CG 4.37Å; F60-K69 HydrophobicContact CZ-CB 3.72Å; F60-K69 HydrophobicContact CZ-CD 3.91Å; F60-K69 HydrophobicContact CZ-CG 3.68Å; F64-K69 HydrophobicContact CD1-CG 4.45Å; F64-K69 HydrophobicContact CE1-CG 3.9Å; F64-K69 HydrophobicContact CZ-CG 4.33Å; K69-Y87 HydrophobicContact CB-CD1 4.32Å; K69-Y87 HydrophobicContact CB-CG 4.42Å; K69-Y87 HydrophobicContact CD-CD1 4.33Å; K69-Y87 HydrophobicContact CD-CE1 4.4Å; K69-S89 PolarHBondContact O-N 3.42Å; K69-D90 WeakPolarHBondContact CG-OD1 3.42Å; K69-D90 PolarHBondContact N-OD1 3.42Å; K69-D90 PolarHBondContact O-N 3.41Å
70E87.9Confident89.3Confident13 Ų1334.1 Ų34.16%0.06120%0.197CC..EExtended strand (participates in β ladder)trans-146.8139.2-175.6-163.367.1-13400109.6K63 H88 S89 F192 H228K63-E70 CarbonylContact C-O 3.55Å; K63-E70 VanDerWaalsContact CB-O 3.23Å; K63-E70 WeakPolarHBondContact CB-O 3.49Å; K63-E70 PolarHBondContact O-N 3.31Å; E70-H88 WeakPolarHBondContact OE1-CA 3.3Å; E70-H88 IonicContact OE1-CE1 2.73Å; E70-H88 IonicContact OE1-CG 2.66Å; E70-H88 IonicContact OE1-ND1 2.63Å; E70-H88 PolarHBondContact OE1-ND1 3.05Å; E70-H88 IonicContact OE2-ND1 3.29Å; E70-S89 PolarHBondContact OE2-N 3.28Å; E70-F192 HydrophobicContact CB-CZ 4.03Å; E70-F192 HydrophobicContact CG-CE1 4.3Å; E70-F192 HydrophobicContact CG-CZ 4.17Å; E70-H228 IonicContact OE1-NE2 3.28Å
71G89.9Confident89.3Confident0 Ų034.8 Ų34.80%020%0.203CC..EExtended strand (participates in β ladder)trans77.6-161.6-178.700000114.4Y87 H228G71-Y87 PolarHBondContact N-O 2.74Å; G71-Y87 WeakPolarHBondContact O-CB 3.48Å; G71-Y87 PolarHBondContact O-N 3.4Å; G71-H228 WeakPolarHBondContact CA-CE1 3.49Å; G71-H228 WeakPolarHBondContact CA-ND1 3.49Å; G71-H228 PolarHBondContact N-CE1 3.32Å
72Y92.4Very high89.3Confident9 Ų934.2 Ų34.24%0.03520%0.2CC..EExtended strand (participates in β ladder)trans-72.9134.7-177.3-73-89000111.1G85 L86 P95 H228 Q231 A232 V235 W237 V239Y72-G85 WeakPolarHBondContact CA-O 3.48Å; Y72-L86 HydrophobicContact CD1-CB 4.43Å; Y72-L86 HydrophobicContact CD2-CD1 3.85Å; Y72-L86 HydrophobicContact CE1-CB 4.17Å; Y72-L86 HydrophobicContact CE1-CD1 4.5Å; Y72-L86 HydrophobicContact CE2-CD1 3.79Å; Y72-L86 HydrophobicContact CG-CD1 4.25Å; Y72-P95 HydrophobicContact CE1-CG 4.49Å; Y72-H228 HydrophobicContact CD2-CB 4.14Å; Y72-H228 HydrophobicContact CE2-CB 4.04Å; Y72-H228 WeakPolarHBondContact CE2-O 3.16Å; Y72-Q231 HydrophobicContact CD2-CB 3.86Å; Y72-A232 HydrophobicContact CE2-CB 4.13Å; Y72-V235 HydrophobicContact CD1-CG1 3.85Å; Y72-V235 HydrophobicContact CD1-CG2 4.39Å; Y72-V235 HydrophobicContact CG-CG1 4.21Å; Y72-W237 HydrophobicContact CD1-CZ2 4.42Å; Y72-W237 HydrophobicContact CE1-CH2 4.2Å; Y72-W237 HydrophobicContact CE1-CZ2 4.24Å; Y72-V239 HydrophobicContact CE1-CG1 4.3Å; Y72-V239 HydrophobicContact CE1-CG2 4.06Å; Y72-V239 VanDerWaalsContact OH-CG1 3.23Å; Y72-V239 WeakPolarHBondContact OH-CG1 3.47Å
73G92.5Very high89.3Confident6 Ų633.8 Ų33.86%0.06220%0.195CC..EExtended strand (participates in β ladder)trans-154.7167.1-179.600000113.3I61 Q84 G85I61-G73 CarbonylContact O-C 3.29Å; I61-G73 WeakPolarHBondContact O-CA 3.33Å; G73-Q84 WeakPolarHBondContact O-CA 2.99Å; G73-G85 PolarHBondContact N-O 3.21Å; G73-G85 PolarHBondContact O-N 2.9Å
74C93.8Very high89.4Confident22 Ų2233.3 Ų33.315%0.14919%0.193CC..EExtended strand (participates in β ladder)trans-124120.3-177.2-178.90000109.8F60 I61 I82 F83 Q84F60-C74 CarbonylContact C-O 3.48Å; F60-C74 VanDerWaalsContact CA-O 3.28Å; F60-C74 WeakPolarHBondContact CA-O 3.39Å; I61-C74 PolarHBondContact N-O 2.93Å; I61-C74 PolarHBondContact O-N 3.17Å; C74-I82 WeakPolarHBondContact SG-CG2 3.43Å; C74-F83 CarbonylContact C-O 3.46Å; C74-F83 VanDerWaalsContact CA-O 3.29Å; C74-F83 WeakPolarHBondContact CA-O 3.38Å; C74-Q84 HydrophobicContact CB-CG 4.15Å
75L93.1Very high89.6Confident18 Ų1833.1 Ų33.19%0.09419%0.193CC..EExtended strand (participates in β ladder)trans-110.2116.1175.3-179.665000109.9W54 K59 F60 Y77 I82 F83 Y87W54-L75 HydrophobicContact CZ3-CD1 4.01Å; K59-L75 CarbonylContact O-C 3.54Å; K59-L75 WeakPolarHBondContact O-CA 3.43Å; F60-L75 HydrophobicContact CB-CD1 4.08Å; F60-L75 HydrophobicContact CD2-CB 4.2Å; F60-L75 HydrophobicContact CD2-CD1 4.44Å; L75-Y77 HydrophobicContact CD2-CE1 4.33Å; L75-Y77 HydrophobicContact CD2-CE2 4.1Å; L75-Y77 WeakPolarHBondContact CD2-OH 3.33Å; L75-Y77 HydrophobicContact CG-CE2 4.14Å; L75-I82 WeakPolarHBondContact O-CA 3.47Å; L75-F83 HydrophobicContact CB-CB 4.38Å; L75-F83 PolarHBondContact N-O 3.35Å; L75-F83 PolarHBondContact O-N 3.06Å; L75-Y87 WeakPolarHBondContact CB-OH 3.26Å
76I93.2Very high89.9Confident51 Ų5131.7 Ų31.726%0.26219%0.187SC..EExtended strand (participates in β ladder)trans-97.1126.4178.1-55.7167.7000108.4H58 K59 I61 I82H58-I76 WeakPolarHBondContact CA-O 3.28Å; K59-I76 HydrophobicContact CB-CB 4.33Å; K59-I76 HydrophobicContact CD-CD1 4.46Å; K59-I76 HydrophobicContact CG-CD1 4.42Å; K59-I76 PolarHBondContact N-O 3.43Å; K59-I76 PolarHBondContact O-N 2.91Å; I61-I76 HydrophobicContact CD1-CD1 4.28Å; I76-I82 HydrophobicContact CG1-CG1 4.49Å; I76-I82 HydrophobicContact CG1-CG2 4.45Å
77Y91.2Very high90.3Very high61 Ų6130.4 Ų30.424%0.23918%0.18CC..  trans-91.2150.5176.6-70-85.4000111H58 L75 G79 G80 A81 F83 R92 L98H58-Y77 AromaticContact CD2-CD1 3.51Å; H58-Y77 AromaticContact CD2-CE1 3.86Å; H58-Y77 AromaticContact NE2-CD1 3.5Å; H58-Y77 WeakPolarHBondContact NE2-CD1 3.28Å; H58-Y77 AromaticContact NE2-CE1 3.92Å; L75-Y77 HydrophobicContact CD2-CE1 4.33Å; L75-Y77 HydrophobicContact CD2-CE2 4.1Å; L75-Y77 WeakPolarHBondContact CD2-OH 3.33Å; L75-Y77 HydrophobicContact CG-CE2 4.14Å; Y77-G79 PolarHBondContact O-N 3.33Å; Y77-G79 VanDerWaalsContact O-N 3.07Å; Y77-G80 PolarHBondContact O-N 2.99Å; Y77-A81 WeakPolarHBondContact CB-O 3.41Å; Y77-A81 HydrophobicContact CD2-CB 4.07Å; Y77-A81 WeakPolarHBondContact CD2-O 3.12Å; Y77-A81 HydrophobicContact CG-CB 4.39Å; Y77-A81 PolarHBondContact N-O 3.45Å; Y77-F83 HydrophobicContact CE2-CB 4.26Å; Y77-R92 PolarHBondContact OH-NH2 2.58Å; Y77-L98 HydrophobicContact CE2-CD1 4.33Å
78P86.6Confident90.4Very high80 Ų8030.5 Ų30.552%0.51918%0.179SC..THydrogen-bonded Turntrans-60.5-22.2178.524.2-34.5000113.3H58 G80H58-P78 WeakPolarHBondContact NE2-CD 3.39Å; P78-G80 VanDerWaalsContact C-N 3.31Å
79G82.9Confident90.2Very high62 Ų6227.1 Ų27.164%0.63917%0.172SC*.THydrogen-bonded Turntrans-82.63.5174.800000115.2Y77 A81 P101Y77-G79 PolarHBondContact O-N 3.33Å; Y77-G79 VanDerWaalsContact O-N 3.07Å; G79-A81 VanDerWaalsContact C-N 3.35Å; G79-P101 WeakPolarHBondContact O-CG 3.32Å
80G88.1Confident90Very high42 Ų4227.8 Ų27.843%0.43318%0.176SC..SBendtrans86-2.6-179.800000115.2Y77 P78Y77-G80 PolarHBondContact O-N 2.99Å; P78-G80 VanDerWaalsContact C-N 3.31Å
81A92.6Very high89.7Confident15 Ų1530.7 Ų30.712%0.12419%0.19CC..  trans-69146.1169.300000110.4Y77 G79 T99Y77-A81 WeakPolarHBondContact CB-O 3.41Å; Y77-A81 HydrophobicContact CD2-CB 4.07Å; Y77-A81 WeakPolarHBondContact CD2-O 3.12Å; Y77-A81 HydrophobicContact CG-CB 4.39Å; Y77-A81 PolarHBondContact N-O 3.45Å; G79-A81 VanDerWaalsContact C-N 3.35Å; A81-T99 CarbonylContact C-O 3.52Å; A81-T99 VanDerWaalsContact CA-O 3.27Å; A81-T99 WeakPolarHBondContact CA-O 3.24Å
82I93.8Very high89.8Confident61 Ų6131.8 Ų31.831%0.31319%0.194SC..EExtended strand (participates in β ladder)trans-133.2122.8-176.4-55.4177.1000108.8C74 L75 I76 Q84 T99C74-I82 WeakPolarHBondContact SG-CG2 3.43Å; L75-I82 WeakPolarHBondContact O-CA 3.47Å; I76-I82 HydrophobicContact CG1-CG1 4.49Å; I76-I82 HydrophobicContact CG1-CG2 4.45Å; I82-Q84 HydrophobicContact CG2-CG 4.11Å; I82-T99 PolarHBondContact N-O 3.18Å; I82-T99 PolarHBondContact O-N 3.36Å
83F93.3Very high89.6Confident1 Ų131.8 Ų31.80%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-101.4124.4169.5-180-92.5000110.2C74 L75 Y77 Y87 R92 V97 L98 W110C74-F83 CarbonylContact C-O 3.46Å; C74-F83 VanDerWaalsContact CA-O 3.29Å; C74-F83 WeakPolarHBondContact CA-O 3.38Å; L75-F83 HydrophobicContact CB-CB 4.38Å; L75-F83 PolarHBondContact N-O 3.35Å; L75-F83 PolarHBondContact O-N 3.06Å; Y77-F83 HydrophobicContact CE2-CB 4.26Å; F83-Y87 HydrophobicContact CD1-CE2 4.07Å; F83-Y87 AromaticContact CD1-CZ 3.86Å; F83-Y87 WeakPolarHBondContact CD1-OH 3.17Å; F83-Y87 AromaticContact CE1-CE2 3.89Å; F83-Y87 HydrophobicContact CE1-CE2 3.89Å; F83-Y87 AromaticContact CE1-CZ 3.91Å; F83-R92 HydrophobicContact CD1-CG 4.28Å; F83-R92 HydrophobicContact CE1-CB 4.21Å; F83-R92 VanDerWaalsContact CE1-CD 3.49Å; F83-R92 HydrophobicContact CE1-CG 3.75Å; F83-R92 HydrophobicContact CZ-CB 4.16Å; F83-R92 VanDerWaalsContact CZ-CD 3.43Å; F83-R92 HydrophobicContact CZ-CG 4.02Å; F83-V97 CarbonylContact C-O 3.55Å; F83-V97 WeakPolarHBondContact CA-O 3.35Å; F83-L98 HydrophobicContact CB-CD1 3.93Å; F83-L98 HydrophobicContact CD2-CB 4.04Å; F83-L98 HydrophobicContact CD2-CD1 4.42Å; F83-W110 AromaticContact CE2-CD1 3.95Å; F83-W110 AromaticContact CE2-CD2 3.9Å; F83-W110 HydrophobicContact CE2-CD2 3.9Å; F83-W110 AromaticContact CE2-CE2 3.81Å; F83-W110 AromaticContact CE2-CG 3.98Å; F83-W110 HydrophobicContact CE2-CG 3.98Å; F83-W110 HydrophobicContact CE2-CZ2 4.36Å; F83-W110 AromaticContact CE2-NE1 3.84Å; F83-W110 HydrophobicContact CZ-CG 4.17Å
84Q93.6Very high89.4Confident35 Ų3531.6 Ų31.616%0.16419%0.192CC..EExtended strand (participates in β ladder)trans-118122.5171.5-65174.6-56.200108.8G73 C74 I82 G96 V97 D236 W237G73-Q84 WeakPolarHBondContact O-CA 2.99Å; C74-Q84 HydrophobicContact CB-CG 4.15Å; I82-Q84 HydrophobicContact CG2-CG 4.11Å; Q84-G96 CarbonylContact O-C 3.6Å; Q84-G96 VanDerWaalsContact O-CA 3.25Å; Q84-G96 WeakPolarHBondContact O-CA 3.38Å; Q84-V97 PolarHBondContact N-O 3.34Å; Q84-V97 PolarHBondContact O-N 3.15Å; Q84-D236 PolarHBondContact NE2-OD2 3.25Å; Q84-W237 VanDerWaalsContact CB-NE1 3.28Å
85G93.3Very high89.4Confident0 Ų030.6 Ų30.60%019%0.185CC..EExtended strand (participates in β ladder)trans-174.4179.6-173.600000114.5Y72 G73 Y87 P95Y72-G85 WeakPolarHBondContact CA-O 3.48Å; G73-G85 PolarHBondContact N-O 3.21Å; G73-G85 PolarHBondContact O-N 2.9Å; G85-Y87 WeakPolarHBondContact O-CD2 3.48Å; G85-P95 WeakPolarHBondContact CA-O 3.42Å
86L92.3Very high89.3Confident1 Ų129.7 Ų29.71%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-82.6135.1176.4-172.564.2000111.1Y72 F93 P95 N224 I225 H228Y72-L86 HydrophobicContact CD1-CB 4.43Å; Y72-L86 HydrophobicContact CD2-CD1 3.85Å; Y72-L86 HydrophobicContact CE1-CB 4.17Å; Y72-L86 HydrophobicContact CE1-CD1 4.5Å; Y72-L86 HydrophobicContact CE2-CD1 3.79Å; Y72-L86 HydrophobicContact CG-CD1 4.25Å; L86-F93 WeakPolarHBondContact CD2-O 3.46Å; L86-F93 PolarHBondContact O-N 3.21Å; L86-P95 HydrophobicContact CB-CG 4.49Å; L86-P95 PolarHBondContact N-O 3.07Å; L86-N224 HydrophobicContact CD2-CB 4.31Å; L86-N224 WeakPolarHBondContact CD2-ND2 3.2Å; L86-N224 WeakPolarHBondContact CG-ND2 3.23Å; L86-I225 HydrophobicContact CD2-CB 4.26Å; L86-I225 HydrophobicContact CD2-CG1 3.56Å; L86-H228 HydrophobicContact CD1-CB 3.79Å
87Y90.4Very high89.3Confident4 Ų427.4 Ų27.42%0.01617%0.168CC..EExtended strand (participates in β ladder)trans-117.1151.8177.4-72-98.6000111.6F60 K69 G71 L75 F83 G85 H91 R92 N224F60-Y87 HydrophobicContact CE2-CD1 4.48Å; F60-Y87 HydrophobicContact CE2-CD2 4Å; F60-Y87 HydrophobicContact CE2-CE1 4.18Å; F60-Y87 AromaticContact CE2-CE2 3.69Å; F60-Y87 HydrophobicContact CE2-CE2 3.69Å; F60-Y87 HydrophobicContact CE2-CG 4.39Å; F60-Y87 AromaticContact CE2-CZ 3.76Å; F60-Y87 HydrophobicContact CZ-CD2 4.37Å; F60-Y87 HydrophobicContact CZ-CE2 4.47Å; K69-Y87 HydrophobicContact CB-CD1 4.32Å; K69-Y87 HydrophobicContact CB-CG 4.42Å; K69-Y87 HydrophobicContact CD-CD1 4.33Å; K69-Y87 HydrophobicContact CD-CE1 4.4Å; G71-Y87 PolarHBondContact N-O 2.74Å; G71-Y87 WeakPolarHBondContact O-CB 3.48Å; G71-Y87 PolarHBondContact O-N 3.4Å; L75-Y87 WeakPolarHBondContact CB-OH 3.26Å; F83-Y87 HydrophobicContact CD1-CE2 4.07Å; F83-Y87 AromaticContact CD1-CZ 3.86Å; F83-Y87 WeakPolarHBondContact CD1-OH 3.17Å; F83-Y87 AromaticContact CE1-CE2 3.89Å; F83-Y87 HydrophobicContact CE1-CE2 3.89Å; F83-Y87 AromaticContact CE1-CZ 3.91Å; G85-Y87 WeakPolarHBondContact O-CD2 3.48Å; Y87-H91 CarbonylContact C-O 3.52Å; Y87-H91 WeakPolarHBondContact CA-O 3.39Å; Y87-R92 HydrophobicContact CD1-CG 4.49Å; Y87-R92 HydrophobicContact CE1-CG 3.85Å; Y87-N224 PolarHBondContact O-ND2 2.98Å
88H85.8Confident89.4Confident35 Ų3525.1 Ų25.116%0.16216%0.16CC..EExtended strand (participates in β ladder)trans-145124169.5-177.765.8000109.2E70 D90 H91 F93 D210E70-H88 WeakPolarHBondContact OE1-CA 3.3Å; E70-H88 IonicContact OE1-CE1 2.73Å; E70-H88 IonicContact OE1-CG 2.66Å; E70-H88 IonicContact OE1-ND1 2.63Å; E70-H88 PolarHBondContact OE1-ND1 3.05Å; E70-H88 IonicContact OE2-ND1 3.29Å; H88-D90 VanDerWaalsContact C-N 3.34Å; H88-D90 PolarHBondContact O-N 2.95Å; H88-H91 PolarHBondContact N-O 2.78Å; H88-H91 PolarHBondContact O-N 2.94Å; H88-F93 HydrophobicContact CB-CB 3.76Å; H88-F93 HydrophobicContact CB-CD1 3.9Å; H88-F93 HydrophobicContact CB-CG 4.09Å; H88-D210 IonicContact NE2-OD2 3.62Å
89S79.4Confident89.8Confident34 Ų3422.9 Ų22.924%0.23815%0.145CC..THydrogen-bonded Turntrans4555.7-179-68.60000113.1K69 E70 H91K69-S89 PolarHBondContact O-N 3.42Å; E70-S89 PolarHBondContact OE2-N 3.28Å; S89-H91 PolarHBondContact O-N 3.3Å; S89-H91 VanDerWaalsContact O-N 3.11Å; S89-H91 PolarHBondContact O-ND1 3.45Å
90D83Confident90.3Very high34 Ų3422.3 Ų22.318%0.18212%0.124CC..THydrogen-bonded Turntrans69.7-9.2-179.2-63.4-52.7000117.7R68 K69 H88 I163R68-D90 WeakPolarHBondContact CA-OD1 3.26Å; R68-D90 WeakPolarHBondContact CB-OD2 3.41Å; R68-D90 WeakPolarHBondContact CG-OD2 3.3Å; K69-D90 WeakPolarHBondContact CG-OD1 3.42Å; K69-D90 PolarHBondContact N-OD1 3.42Å; K69-D90 PolarHBondContact O-N 3.41Å; H88-D90 VanDerWaalsContact C-N 3.34Å; H88-D90 PolarHBondContact O-N 2.95Å; D90-I163 HydrophobicContact CB-CD1 4.25Å; D90-I163 HydrophobicContact CB-CG2 4.3Å
91H83.6Confident90.4Very high74 Ų7424.9 Ų24.934%0.34313%0.133SC..EExtended strand (participates in β ladder)trans-97.5146.4179.6-60.682.9000111.3Y87 H88 S89 F93 I163Y87-H91 CarbonylContact C-O 3.52Å; Y87-H91 WeakPolarHBondContact CA-O 3.39Å; H88-H91 PolarHBondContact N-O 2.78Å; H88-H91 PolarHBondContact O-N 2.94Å; S89-H91 PolarHBondContact O-N 3.3Å; S89-H91 VanDerWaalsContact O-N 3.11Å; S89-H91 PolarHBondContact O-ND1 3.45Å; H91-F93 PolarHBondContact O-N 2.94Å; H91-I163 WeakPolarHBondContact CE1-CD1 3.29Å; H91-I163 WeakPolarHBondContact NE2-CD1 3.28Å; H91-I163 WeakPolarHBondContact NE2-CG1 3.45Å
92R90.1Very high90.3Very high23 Ų2329.2 Ų29.29%0.08715%0.154CC..EExtended strand (participates in β ladder)trans-64.9128.4165.5-46.7-178.6-168.9163.4-4.9107.7Y77 F83 Y87 W110 I111 G112Y77-R92 PolarHBondContact OH-NH2 2.58Å; F83-R92 HydrophobicContact CD1-CG 4.28Å; F83-R92 HydrophobicContact CE1-CB 4.21Å; F83-R92 VanDerWaalsContact CE1-CD 3.49Å; F83-R92 HydrophobicContact CE1-CG 3.75Å; F83-R92 HydrophobicContact CZ-CB 4.16Å; F83-R92 VanDerWaalsContact CZ-CD 3.43Å; F83-R92 HydrophobicContact CZ-CG 4.02Å; Y87-R92 HydrophobicContact CD1-CG 4.49Å; Y87-R92 HydrophobicContact CE1-CG 3.85Å; R92-W110 HydrophobicContact CB-CB 4.13Å; R92-I111 CarbonylContact O-C 3.6Å; R92-I111 WeakPolarHBondContact O-CA 3.47Å; R92-G112 VanDerWaalsContact CB-O 3.31Å; R92-G112 WeakPolarHBondContact CB-O 3.5Å; R92-G112 WeakPolarHBondContact CD-O 3.48Å; R92-G112 VanDerWaalsContact CG-O 3.27Å; R92-G112 WeakPolarHBondContact CG-O 3.43Å; R92-G112 PolarHBondContact O-N 3.18Å
93F88.8Confident90Very high9 Ų928.1 Ų28.14%0.03916%0.158CC..EExtended strand (participates in β ladder)trans-153.382-171.1-162-110.2000111.4L86 H88 H91 W110 I111 V217 R220 M221 N224L86-F93 WeakPolarHBondContact CD2-O 3.46Å; L86-F93 PolarHBondContact O-N 3.21Å; H88-F93 HydrophobicContact CB-CB 3.76Å; H88-F93 HydrophobicContact CB-CD1 3.9Å; H88-F93 HydrophobicContact CB-CG 4.09Å; H91-F93 PolarHBondContact O-N 2.94Å; F93-W110 WeakPolarHBondContact CA-O 3.18Å; F93-I111 HydrophobicContact CD2-CG1 4.42Å; F93-I111 HydrophobicContact CE2-CG1 4.5Å; F93-V217 HydrophobicContact CE2-CG1 3.99Å; F93-V217 HydrophobicContact CZ-CG1 4.18Å; F93-R220 HydrophobicContact CE1-CB 3.9Å; F93-R220 HydrophobicContact CZ-CB 3.84Å; F93-M221 HydrophobicContact CD1-CB 4.36Å; F93-M221 HydrophobicContact CD2-CE 4.26Å; F93-M221 HydrophobicContact CE1-CB 3.82Å; F93-M221 VanDerWaalsContact CE1-N 3.33Å; F93-M221 HydrophobicContact CE2-CE 4.26Å; F93-M221 HydrophobicContact CZ-CB 4.04Å; F93-N224 HydrophobicContact CD1-CB 4.23Å; F93-N224 PolarHBondContact O-ND2 3.09Å
94G89.3Confident90Very high1 Ų130.2 Ų30.21%0.0117%0.169CC..EExtended strand (participates in β ladder)trans132.9-152.8-178.600000113.5W110G94-W110 PolarHBondContact N-O 3.01Å; G94-W110 PolarHBondContact O-N 3Å
95P92.4Very high89.9Confident1 Ų130.4 Ų30.41%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-68.1141.3-177.630.8-36.7000111.4Y72 G85 L86 G108 L109 I225 W237 V239 V242 L243Y72-P95 HydrophobicContact CE1-CG 4.49Å; G85-P95 WeakPolarHBondContact CA-O 3.42Å; L86-P95 HydrophobicContact CB-CG 4.49Å; L86-P95 PolarHBondContact N-O 3.07Å; P95-G108 WeakPolarHBondContact CA-O 3.37Å; P95-L109 HydrophobicContact CB-CD2 4.17Å; P95-I225 HydrophobicContact CG-CG1 4.46Å; P95-W237 HydrophobicContact CB-CH2 3.97Å; P95-W237 HydrophobicContact CB-CZ3 4.31Å; P95-W237 HydrophobicContact CG-CH2 4.36Å; P95-V239 HydrophobicContact CG-CG1 4.3Å; P95-V242 HydrophobicContact CB-CB 4.15Å; P95-V242 HydrophobicContact CB-CG1 3.7Å; P95-L243 HydrophobicContact CB-CD2 4.2Å; P95-L243 HydrophobicContact CG-CD2 4.06Å
96G92.6Very high89.9Confident0 Ų030.4 Ų30.40%017%0.17CC..EExtended strand (participates in β ladder)trans-168.3164176.200000114.1Q84 G108 W110Q84-G96 CarbonylContact O-C 3.6Å; Q84-G96 VanDerWaalsContact O-CA 3.25Å; Q84-G96 WeakPolarHBondContact O-CA 3.38Å; G96-G108 PolarHBondContact N-O 3.21Å; G96-G108 PolarHBondContact O-N 3.49Å; G96-W110 PolarHBondContact O-NE1 3.31Å
97V93.2Very high89.8Confident2 Ų230.5 Ų30.51%0.01217%0.171CC..EExtended strand (participates in β ladder)trans-128.5124.4-178179.80000108.8F83 Q84 Q105 D106 V107 W237 F250F83-V97 CarbonylContact C-O 3.55Å; F83-V97 WeakPolarHBondContact CA-O 3.35Å; Q84-V97 PolarHBondContact N-O 3.34Å; Q84-V97 PolarHBondContact O-N 3.15Å; V97-Q105 HydrophobicContact CG1-CB 4.32Å; V97-Q105 HydrophobicContact CG1-CG 4.43Å; V97-D106 WeakPolarHBondContact CA-O 3.31Å; V97-V107 HydrophobicContact CG1-CG2 4.15Å; V97-V107 HydrophobicContact CG2-CG1 4.2Å; V97-V107 HydrophobicContact CG2-CG2 4.26Å; V97-W237 HydrophobicContact CG2-CB 4.39Å; V97-W237 HydrophobicContact CG2-CD2 3.69Å; V97-W237 HydrophobicContact CG2-CE3 3.92Å; V97-W237 HydrophobicContact CG2-CG 3.86Å; V97-W237 HydrophobicContact CG2-CZ3 4.48Å; V97-F250 HydrophobicContact CG2-CD1 4.27Å; V97-F250 HydrophobicContact CG2-CE1 3.88Å
98L92.9Very high89.9Confident13 Ų1330.3 Ų30.37%0.06817%0.17CC..EExtended strand (participates in β ladder)trans-104111.3170.1179.361.1000109.1Y77 F83 Y100 Q105 D106 W110 L256Y77-L98 HydrophobicContact CE2-CD1 4.33Å; F83-L98 HydrophobicContact CB-CD1 3.93Å; F83-L98 HydrophobicContact CD2-CB 4.04Å; F83-L98 HydrophobicContact CD2-CD1 4.42Å; L98-Y100 HydrophobicContact CD2-CE1 4.32Å; L98-Y100 HydrophobicContact CD2-CE2 3.99Å; L98-Y100 VanDerWaalsContact CD2-OH 3.29Å; L98-Y100 WeakPolarHBondContact CD2-OH 3.49Å; L98-Y100 HydrophobicContact CG-CE2 3.93Å; L98-Q105 CarbonylContact O-C 3.48Å; L98-Q105 VanDerWaalsContact O-CA 3.27Å; L98-Q105 WeakPolarHBondContact O-CA 3.47Å; L98-D106 HydrophobicContact CB-CB 4.24Å; L98-D106 PolarHBondContact N-O 3.02Å; L98-D106 PolarHBondContact O-N 3.25Å; L98-W110 HydrophobicContact CB-CH2 4.18Å; L98-W110 HydrophobicContact CB-CZ2 4.07Å; L98-W110 HydrophobicContact CD2-CH2 4.23Å; L98-L256 HydrophobicContact CD2-CD1 4.38Å
99T93.7Very high90.1Very high33 Ų3329.7 Ų29.720%0.20217%0.168CC..EExtended strand (participates in β ladder)trans-98.8128.2177.2-55.20000110.3A81 I82 Q105A81-T99 CarbonylContact C-O 3.52Å; A81-T99 VanDerWaalsContact CA-O 3.27Å; A81-T99 WeakPolarHBondContact CA-O 3.24Å; I82-T99 PolarHBondContact N-O 3.18Å; I82-T99 PolarHBondContact O-N 3.36Å; T99-Q105 HydrophobicContact CG2-CG 4.12Å; T99-Q105 PolarHBondContact OG1-NE2 3.06Å
100Y93.5Very high90.6Very high51 Ų5128.1 Ų28.120%0.216%0.157CC..  trans-93162.3178.1-66.9-92.7000111.5L98 D102 G103 N104 D106 P255L98-Y100 HydrophobicContact CD2-CE1 4.32Å; L98-Y100 HydrophobicContact CD2-CE2 3.99Å; L98-Y100 VanDerWaalsContact CD2-OH 3.29Å; L98-Y100 WeakPolarHBondContact CD2-OH 3.49Å; L98-Y100 HydrophobicContact CG-CE2 3.93Å; Y100-D102 WeakPolarHBondContact CB-OD1 3.25Å; Y100-D102 PolarHBondContact O-N 3.48Å; Y100-D102 VanDerWaalsContact O-N 3.16Å; Y100-G103 PolarHBondContact O-N 2.99Å; Y100-N104 WeakPolarHBondContact CD2-O 3.21Å; Y100-N104 PolarHBondContact N-O 2.97Å; Y100-D106 WeakPolarHBondContact CE2-OD2 3.34Å; Y100-D106 VanDerWaalsContact CZ-OD2 3.28Å; Y100-D106 PolarHBondContact OH-OD2 3Å; Y100-P255 HydrophobicContact CE1-CG 3.87Å; Y100-P255 VanDerWaalsContact CE2-CD 3.44Å; Y100-P255 HydrophobicContact CE2-CG 3.91Å; Y100-P255 VanDerWaalsContact CZ-CG 3.5Å; Y100-P255 WeakPolarHBondContact OH-CG 3.48Å
101P91.2Very high90.7Very high96 Ų9627.8 Ų27.862%0.62316%0.155SC*.THydrogen-bonded Turntrans-61.9-22.4-179.4-23.434.2000114.6G79 G103G79-P101 WeakPolarHBondContact O-CG 3.32Å; P101-G103 VanDerWaalsContact C-N 3.25Å
102D90Very high90.8Very high106 Ų10625.2 Ų25.257%0.56715%0.148SC*.THydrogen-bonded Turntrans-80.1-4.9175.560.11.4000113.1Y100 N104Y100-D102 WeakPolarHBondContact CB-OD1 3.25Å; Y100-D102 PolarHBondContact O-N 3.48Å; Y100-D102 VanDerWaalsContact O-N 3.16Å; D102-N104 VanDerWaalsContact CG-ND2 3.26Å; D102-N104 WeakPolarHBondContact OD1-CB 3.39Å; D102-N104 PolarHBondContact OD1-N 3.32Å; D102-N104 PolarHBondContact OD2-ND2 3.37Å
103G88.1Confident90.4Very high37 Ų3730.5 Ų30.538%0.38117%0.173SC..SBendtrans87.6-1-177.900000114.4Y100 P101Y100-G103 PolarHBondContact O-N 2.99Å; P101-G103 VanDerWaalsContact C-N 3.25Å
104N92.5Very high90.2Very high46 Ų4634.8 Ų34.825%0.24619%0.189CC..  trans-71150.6173.5-65.2-33.4000110.6Y100 D102 P252Y100-N104 WeakPolarHBondContact CD2-O 3.21Å; Y100-N104 PolarHBondContact N-O 2.97Å; D102-N104 VanDerWaalsContact CG-ND2 3.26Å; D102-N104 WeakPolarHBondContact OD1-CB 3.39Å; D102-N104 PolarHBondContact OD1-N 3.32Å; D102-N104 PolarHBondContact OD2-ND2 3.37Å; N104-P252 CarbonylContact C-O 3.54Å; N104-P252 VanDerWaalsContact CA-O 3.31Å; N104-P252 WeakPolarHBondContact CA-O 3.18Å; N104-P252 WeakPolarHBondContact OD1-CB 3.47Å; N104-P252 WeakPolarHBondContact OD1-CG 3.18Å
105Q92.4Very high90.1Very high38 Ų3835.3 Ų35.318%0.17819%0.192CC..EExtended strand (participates in β ladder)trans-133.5127.4-174.5-62.9-169.9-42.700111.7V97 L98 T99 V107 P252 K253 G254V97-Q105 HydrophobicContact CG1-CB 4.32Å; V97-Q105 HydrophobicContact CG1-CG 4.43Å; L98-Q105 CarbonylContact O-C 3.48Å; L98-Q105 VanDerWaalsContact O-CA 3.27Å; L98-Q105 WeakPolarHBondContact O-CA 3.47Å; T99-Q105 HydrophobicContact CG2-CG 4.12Å; T99-Q105 PolarHBondContact OG1-NE2 3.06Å; Q105-V107 HydrophobicContact CB-CG2 4.1Å; Q105-P252 PolarHBondContact N-O 3.08Å; Q105-K253 CarbonylContact O-C 3.58Å; Q105-G254 PolarHBondContact O-N 3.17Å
106D91.8Very high89.8Confident0 Ų037.5 Ų37.50%020%0.203CC..EExtended strand (participates in β ladder)trans-93.4120.8164.7-64.9-45.7000108.9V97 L98 Y100 W110 G254 L256 E257V97-D106 WeakPolarHBondContact CA-O 3.31Å; L98-D106 HydrophobicContact CB-CB 4.24Å; L98-D106 PolarHBondContact N-O 3.02Å; L98-D106 PolarHBondContact O-N 3.25Å; Y100-D106 WeakPolarHBondContact CE2-OD2 3.34Å; Y100-D106 VanDerWaalsContact CZ-OD2 3.28Å; Y100-D106 PolarHBondContact OH-OD2 3Å; D106-W110 HydrophobicContact CB-CH2 4Å; D106-W110 HydrophobicContact CB-CZ2 3.86Å; D106-G254 WeakPolarHBondContact OD1-CA 3.48Å; D106-L256 PolarHBondContact OD1-N 3.18Å; D106-L256 VanDerWaalsContact OD1-N 3.11Å; D106-L256 VanDerWaalsContact OD2-CB 3.29Å; D106-L256 WeakPolarHBondContact OD2-CB 3.34Å; D106-L256 WeakPolarHBondContact OD2-CG 3.44Å; D106-L256 PolarHBondContact OD2-N 3.41Å; D106-E257 WeakPolarHBondContact OD1-CB 3.28Å; D106-E257 PolarHBondContact OD1-N 3.31Å
107V91.4Very high89.5Confident4 Ų438.5 Ų38.52%0.02421%0.207CC..EExtended strand (participates in β ladder)trans-123.7130.2-173.4-174.20000111.2V97 Q105 V242 F250 E257V97-V107 HydrophobicContact CG1-CG2 4.15Å; V97-V107 HydrophobicContact CG2-CG1 4.2Å; V97-V107 HydrophobicContact CG2-CG2 4.26Å; Q105-V107 HydrophobicContact CB-CG2 4.1Å; V107-V242 HydrophobicContact CG1-CG1 4.43Å; V107-V242 HydrophobicContact CG1-CG2 3.63Å; V107-F250 HydrophobicContact CG1-CD1 4.18Å; V107-F250 HydrophobicContact CG1-CD2 4.15Å; V107-F250 HydrophobicContact CG1-CE1 4.15Å; V107-F250 HydrophobicContact CG1-CE2 4.15Å; V107-F250 HydrophobicContact CG1-CG 4.18Å; V107-F250 HydrophobicContact CG1-CZ 4.17Å; V107-F250 HydrophobicContact CG2-CB 3.95Å; V107-F250 HydrophobicContact CG2-CD1 3.89Å; V107-F250 HydrophobicContact CG2-CG 3.89Å; V107-E257 PolarHBondContact N-OE2 3.26Å
108G91.1Very high89.2Confident0 Ų038.4 Ų38.40%021%0.207CC..EExtended strand (participates in β ladder)trans164-153.3175.400000115.4P95 G96 W110 K117 V242P95-G108 WeakPolarHBondContact CA-O 3.37Å; G96-G108 PolarHBondContact N-O 3.21Å; G96-G108 PolarHBondContact O-N 3.49Å; G108-W110 VanDerWaalsContact O-CD1 3.26Å; G108-K117 WeakPolarHBondContact CA-O 3.34Å; G108-V242 WeakPolarHBondContact O-CG1 3.39Å
109L90.1Very high88.8Confident22 Ų2238.1 Ų38.112%0.11521%0.206CC..EExtended strand (participates in β ladder)trans-97.2129.1176.3-58.9-177.7000110.7P95 L116 K117P95-L109 HydrophobicContact CB-CD2 4.17Å; L109-L116 PolarHBondContact O-N 2.95Å; L109-K117 HydrophobicContact CB-CB 4.12Å; L109-K117 HydrophobicContact CD1-CB 4.13Å; L109-K117 HydrophobicContact CD1-CD 4.26Å; L109-K117 HydrophobicContact CG-CB 4.23Å; L109-K117 PolarHBondContact N-O 3.4Å; L109-K117 PolarHBondContact O-N 3.22Å
110W89.8Confident88.1Confident1 Ų137.5 Ų37.50%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-116.5143.5-172.5-62.182.6000112.3F83 R92 F93 G94 G96 L98 D106 G108 R114 L115 L256F83-W110 AromaticContact CE2-CD1 3.95Å; F83-W110 AromaticContact CE2-CD2 3.9Å; F83-W110 HydrophobicContact CE2-CD2 3.9Å; F83-W110 AromaticContact CE2-CE2 3.81Å; F83-W110 AromaticContact CE2-CG 3.98Å; F83-W110 HydrophobicContact CE2-CG 3.98Å; F83-W110 HydrophobicContact CE2-CZ2 4.36Å; F83-W110 AromaticContact CE2-NE1 3.84Å; F83-W110 HydrophobicContact CZ-CG 4.17Å; R92-W110 HydrophobicContact CB-CB 4.13Å; F93-W110 WeakPolarHBondContact CA-O 3.18Å; G94-W110 PolarHBondContact N-O 3.01Å; G94-W110 PolarHBondContact O-N 3Å; G96-W110 PolarHBondContact O-NE1 3.31Å; L98-W110 HydrophobicContact CB-CH2 4.18Å; L98-W110 HydrophobicContact CB-CZ2 4.07Å; L98-W110 HydrophobicContact CD2-CH2 4.23Å; D106-W110 HydrophobicContact CB-CH2 4Å; D106-W110 HydrophobicContact CB-CZ2 3.86Å; G108-W110 VanDerWaalsContact O-CD1 3.26Å; W110-R114 WeakPolarHBondContact CA-O 3.37Å; W110-L115 HydrophobicContact CD2-CD1 4.1Å; W110-L115 HydrophobicContact CE3-CB 4.24Å; W110-L115 HydrophobicContact CH2-CB 4.19Å; W110-L115 HydrophobicContact CH2-CD1 4.37Å; W110-L115 HydrophobicContact CZ2-CD1 3.89Å; W110-L115 HydrophobicContact CZ3-CB 4.03Å; W110-L256 HydrophobicContact CH2-CD1 3.91Å; W110-L256 HydrophobicContact CZ3-CD1 4.1Å
111I86.8Confident87.3Confident27 Ų2738.5 Ų38.514%0.13822%0.217CC..EExtended strand (participates in β ladder)trans-131113.9164.7-59.4-176.3000108R92 F93 Q113 R114 L116 V217 M221R92-I111 CarbonylContact O-C 3.6Å; R92-I111 WeakPolarHBondContact O-CA 3.47Å; F93-I111 HydrophobicContact CD2-CG1 4.42Å; F93-I111 HydrophobicContact CE2-CG1 4.5Å; I111-Q113 PolarHBondContact O-N 2.84Å; I111-Q113 VanDerWaalsContact O-N 3.12Å; I111-R114 PolarHBondContact N-O 2.72Å; I111-R114 WeakPolarHBondContact O-CB 3.49Å; I111-R114 PolarHBondContact O-N 3.25Å; I111-L116 HydrophobicContact CD1-CD1 3.44Å; I111-L116 VanDerWaalsContact CD1-CD1 3.44Å; I111-L116 HydrophobicContact CG1-CD1 4.13Å; I111-V217 HydrophobicContact CD1-CG1 3.3Å; I111-V217 HydrophobicContact CG1-CG1 4.48Å; I111-M221 HydrophobicContact CD1-CE 4.04Å; I111-M221 HydrophobicContact CG1-CE 3.62Å
112G84.9Confident86.5Confident19 Ų1935 Ų3520%0.19619%0.193CC..THydrogen-bonded Turntrans58.8-117.2-175.100000110.5R92R92-G112 VanDerWaalsContact CB-O 3.31Å; R92-G112 WeakPolarHBondContact CB-O 3.5Å; R92-G112 WeakPolarHBondContact CD-O 3.48Å; R92-G112 VanDerWaalsContact CG-O 3.27Å; R92-G112 WeakPolarHBondContact CG-O 3.43Å; R92-G112 PolarHBondContact O-N 3.18Å
113Q82.4Confident85.5Confident135 Ų13539 Ų3963%0.63121%0.208SC*.THydrogen-bonded Turntrans-96.9-4.3177.1-58.1-178.940.400113.1I111 F162I111-Q113 PolarHBondContact O-N 2.84Å; I111-Q113 VanDerWaalsContact O-N 3.12Å; Q113-F162 PolarHBondContact NE2-O 3.5Å
114R84.4Confident84.6Confident99 Ų9941.6 Ų41.637%0.37421%0.211SC..EExtended strand (participates in β ladder)trans-92.6133.5-171.7-55-179.9-170.9170.69.3110.7W110 I111 D159W110-R114 WeakPolarHBondContact CA-O 3.37Å; I111-R114 PolarHBondContact N-O 2.72Å; I111-R114 WeakPolarHBondContact O-CB 3.49Å; I111-R114 PolarHBondContact O-N 3.25Å; R114-D159 IonicContact NH2-OD2 3.73Å; R114-D159 PolarHBondContact NH2-OD2 3.46Å; R114-D159 VanDerWaalsContact NH2-OD2 3.13Å
115L86.6Confident83.5Confident11 Ų1140.1 Ų40.16%0.05821%0.206CC..EExtended strand (participates in β ladder)trans-86.7111.4169.1-177.460.3000108.2W110 L118W110-L115 HydrophobicContact CD2-CD1 4.1Å; W110-L115 HydrophobicContact CE3-CB 4.24Å; W110-L115 HydrophobicContact CH2-CB 4.19Å; W110-L115 HydrophobicContact CH2-CD1 4.37Å; W110-L115 HydrophobicContact CZ2-CD1 3.89Å; W110-L115 HydrophobicContact CZ3-CB 4.03Å; L115-L118 HydrophobicContact CD2-CD2 3.31Å; L115-L118 HydrophobicContact CG-CD2 3.79Å
116L85.7Confident83Confident47 Ų4738.3 Ų38.325%0.24620%0.198CC..EExtended strand (participates in β ladder)trans-90.5-37.4-173.1-172.6144.2000112.1L109 I111 A289L109-L116 PolarHBondContact O-N 2.95Å; I111-L116 HydrophobicContact CD1-CD1 3.44Å; I111-L116 VanDerWaalsContact CD1-CD1 3.44Å; I111-L116 HydrophobicContact CG1-CD1 4.13Å; L116-A289 PolarHBondContact O-N 3.06Å
117K86.8Confident82.6Confident21 Ų2138.7 Ų38.79%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-141.6128-178.1-165.5171.4-176.4-177.30111.7G108 L109 L245 A289 D290 A291 N324G108-K117 WeakPolarHBondContact CA-O 3.34Å; L109-K117 HydrophobicContact CB-CB 4.12Å; L109-K117 HydrophobicContact CD1-CB 4.13Å; L109-K117 HydrophobicContact CD1-CD 4.26Å; L109-K117 HydrophobicContact CG-CB 4.23Å; L109-K117 PolarHBondContact N-O 3.4Å; L109-K117 PolarHBondContact O-N 3.22Å; K117-L245 HydrophobicContact CD-CD1 4.13Å; K117-L245 HydrophobicContact CD-CD2 4.28Å; K117-L245 VanDerWaalsContact CE-CD1 3.46Å; K117-L245 HydrophobicContact CG-CD2 4.36Å; K117-L245 VanDerWaalsContact NZ-CD1 3.32Å; K117-A289 WeakPolarHBondContact CA-O 3.29Å; K117-A289 HydrophobicContact CG-CB 4.48Å; K117-D290 WeakPolarHBondContact CE-O 3.21Å; K117-D290 WeakPolarHBondContact CG-O 3.44Å; K117-A291 WeakPolarHBondContact CE-O 3.46Å; K117-A291 PolarHBondContact NZ-O 2.95Å; K117-A291 VanDerWaalsContact NZ-O 3.12Å; K117-N324 PolarHBondContact NZ-ND2 3.01Å; K117-N324 PolarHBondContact NZ-OD1 3.18Å
118L87.9Confident82.2Confident1 Ų138.5 Ų38.51%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-82.1153.4178.3-49.4-178.4000111.2L115 S120 E257 L264 V288 A289 A291L115-L118 HydrophobicContact CD2-CD2 3.31Å; L115-L118 HydrophobicContact CG-CD2 3.79Å; L118-S120 VanDerWaalsContact C-N 3.32Å; L118-E257 HydrophobicContact CD2-CG 4.25Å; L118-L264 HydrophobicContact CD1-CD1 4.4Å; L118-V288 HydrophobicContact CD2-CG2 4.21Å; L118-V288 HydrophobicContact CG-CG2 4.27Å; L118-A289 PolarHBondContact N-O 3.21Å; L118-A291 WeakPolarHBondContact O-CA 3.33Å; L118-A291 PolarHBondContact O-N 3.35Å
119C82.8Confident81.7Confident7 Ų743.8 Ų43.85%0.04723%0.227CC..SBendtrans-83.9-7.1168.1-670000113.3L245C119-L245 VanDerWaalsContact O-O 3.08Å
120S80.4Confident81.3Confident20 Ų2046.1 Ų46.114%0.1424%0.239CC..PPolyproline II helixtrans-90.5138.4172.9600000111.8L118 A291L118-S120 VanDerWaalsContact C-N 3.32Å; S120-A291 PolarHBondContact O-N 2.86Å
121S76.8Confident80.9Confident71 Ų7147.7 Ų47.750%0.49725%0.246SC..PPolyproline II helixtrans-97.2141.7167.355.20000110.6
122L74.5Confident80.5Confident23 Ų2350.8 Ų50.812%0.1227%0.268CS..PPolyproline II helixtrans-78.7134.1169.5-73.3154.1000110E124 E261 L264 Q265 D290 R292L122-E124 PolarHBondContact O-N 3.41Å; L122-E261 HydrophobicContact CD2-CG 4.01Å; L122-L264 HydrophobicContact CD1-CB 3.36Å; L122-L264 HydrophobicContact CD1-CD1 3.55Å; L122-L264 HydrophobicContact CD1-CG 4.02Å; L122-Q265 HydrophobicContact CD2-CG 3.63Å; L122-D290 HydrophobicContact CD1-CB 4.4Å; L122-D290 PolarHBondContact N-OD2 2.9Å; L122-R292 PolarHBondContact O-NH2 2.82Å
123E67.4Low80.3Confident189 Ų18953.4 Ų53.488%0.88328%0.278SS*.THydrogen-bonded Turntrans-64.4-30176.5-65.4-176.2172.800112.2
124E69.3Low80.2Confident93 Ų9347.2 Ų47.244%0.43525%0.249SC..THydrogen-bonded Turntrans-91.83.3-173.4-61.5179.4172.300114.8L122 F268L122-E124 PolarHBondContact O-N 3.41Å; E124-F268 HydrophobicContact CB-CE1 4.1Å; E124-F268 HydrophobicContact CB-CZ 4.18Å; E124-F268 WeakPolarHBondContact O-CE2 3.37Å; E124-F268 WeakPolarHBondContact OE2-CE1 3.44Å
125G69.8Low79.9Confident14 Ų1443.5 Ų43.514%0.14424%0.239CC..  trans-77.2149.3-175.600000114.7R292G125-R292 PolarHBondContact O-NH1 3.36Å; G125-R292 PolarHBondContact O-NH2 2.85Å; G125-R292 VanDerWaalsContact O-NH2 3.1Å
126F82.6Confident79.3Confident1 Ų144.7 Ų44.70%0.00425%0.25CS..  trans-61.9139.4178176.3-93.6000112L128 F131 Q294 V302 M327 V332 V335 L336 L407F126-L128 HydrophobicContact CZ-CD1 4.41Å; F126-F131 AromaticContact CD2-CE2 3.97Å; F126-F131 HydrophobicContact CD2-CE2 3.97Å; F126-F131 HydrophobicContact CE2-CD2 4.06Å; F126-F131 AromaticContact CE2-CE2 3.37Å; F126-F131 HydrophobicContact CE2-CE2 3.37Å; F126-F131 HydrophobicContact CE2-CZ 4.05Å; F126-F131 HydrophobicContact CZ-CD2 4.39Å; F126-F131 HydrophobicContact CZ-CE2 4.13Å; F126-Q294 PolarHBondContact O-NE2 3.09Å; F126-V302 HydrophobicContact CB-CG2 3.6Å; F126-V302 HydrophobicContact CD2-CG2 4.37Å; F126-V302 HydrophobicContact CG-CG2 4.21Å; F126-M327 HydrophobicContact CD1-CE 4.3Å; F126-M327 HydrophobicContact CE1-CE 3.57Å; F126-M327 HydrophobicContact CE1-SD 3.93Å; F126-V332 HydrophobicContact CD1-CB 4.45Å; F126-V332 HydrophobicContact CD1-CG1 3.83Å; F126-V332 HydrophobicContact CD1-CG2 3.8Å; F126-V332 HydrophobicContact CD2-CG1 4Å; F126-V332 HydrophobicContact CE1-CB 4.26Å; F126-V332 HydrophobicContact CE1-CG1 3.89Å; F126-V332 HydrophobicContact CE1-CG2 3.7Å; F126-V332 HydrophobicContact CE2-CG1 4.06Å; F126-V332 HydrophobicContact CG-CG1 3.89Å; F126-V332 HydrophobicContact CZ-CG1 4.02Å; F126-V332 HydrophobicContact CZ-CG2 4.47Å; F126-V335 HydrophobicContact CZ-CG1 4.32Å; F126-L336 HydrophobicContact CD2-CD1 4.36Å; F126-L336 HydrophobicContact CD2-CD2 4.27Å; F126-L336 HydrophobicContact CD2-CG 4.49Å; F126-L336 HydrophobicContact CE2-CD1 4.28Å; F126-L336 HydrophobicContact CE2-CD2 3.76Å; F126-L336 HydrophobicContact CE2-CG 3.95Å; F126-L407 HydrophobicContact CD2-CD2 3.9Å
127S84.1Confident78.7Confident7 Ų743.4 Ų43.45%0.04924%0.243CC..  trans-145.2139.3168.9176.70000108.9L129 N130 E325S127-L129 PolarHBondContact O-N 3.33Å; S127-L129 PolarHBondContact OG-N 3.27Å; S127-N130 WeakPolarHBondContact O-CB 3.4Å; S127-N130 PolarHBondContact O-N 3.22Å; S127-N130 VanDerWaalsContact O-N 3.12Å; S127-E325 WeakPolarHBondContact CB-OE1 3.32Å; S127-E325 PolarHBondContact OG-OE1 3.3Å
128L82.1Confident77.9Confident0 Ų045.1 Ų45.10%025%0.252CS..G310 helixtrans-62.7-23175.9-155.765.9000112.3F126 N130 F131 M138 E325 M327 V335 V434 P435F126-L128 HydrophobicContact CZ-CD1 4.41Å; L128-N130 PolarHBondContact O-N 2.91Å; L128-N130 VanDerWaalsContact O-N 3.15Å; L128-F131 CarbonylContact O-C 3.59Å; L128-F131 WeakPolarHBondContact O-CA 3.44Å; L128-F131 PolarHBondContact O-N 2.98Å; L128-M138 HydrophobicContact CB-CE 4.18Å; L128-M138 HydrophobicContact CB-SD 4.36Å; L128-M138 HydrophobicContact CD2-CG 4Å; L128-M138 HydrophobicContact CD2-SD 4.22Å; L128-E325 PolarHBondContact N-OE1 2.91Å; L128-E325 PolarHBondContact N-OE2 2.89Å; L128-M327 HydrophobicContact CB-CE 3.93Å; L128-M327 HydrophobicContact CD1-CE 4.27Å; L128-M327 HydrophobicContact CD1-SD 4.09Å; L128-M327 HydrophobicContact CG-CE 4.5Å; L128-V335 HydrophobicContact CD1-CG1 4.05Å; L128-V434 HydrophobicContact CD2-CG1 3.53Å; L128-P435 HydrophobicContact CD2-CB 4.33Å
129L80.9Confident76.6Confident112 Ų11248.6 Ų48.659%0.58627%0.268SS*.G310 helixtrans-59.1-23.8175.3-68.8171.1000113.1S127 F131 M138S127-L129 PolarHBondContact O-N 3.33Å; S127-L129 PolarHBondContact OG-N 3.27Å; L129-F131 PolarHBondContact O-N 3.05Å; L129-M138 HydrophobicContact CD2-CE 3.41Å; L129-M138 VanDerWaalsContact CD2-CE 3.41Å; L129-M138 HydrophobicContact CG-CE 3.85Å
130N81.9Confident74.8Confident70 Ų7052.3 Ų52.337%0.37429%0.294SS..G310 helixtrans-76-5.4175.4-60.6-15.4000112.7S127 L128S127-N130 WeakPolarHBondContact O-CB 3.4Å; S127-N130 PolarHBondContact O-N 3.22Å; S127-N130 VanDerWaalsContact O-N 3.12Å; L128-N130 PolarHBondContact O-N 2.91Å; L128-N130 VanDerWaalsContact O-N 3.15Å
131F81.6Confident72.9Confident35 Ų3554.9 Ų54.915%0.15431%0.312CS..  trans-124.683.2-178.9-60.3-87.8000109.1F126 L128 L129 D133 Y134 A135 L336F126-F131 AromaticContact CD2-CE2 3.97Å; F126-F131 HydrophobicContact CD2-CE2 3.97Å; F126-F131 HydrophobicContact CE2-CD2 4.06Å; F126-F131 AromaticContact CE2-CE2 3.37Å; F126-F131 HydrophobicContact CE2-CE2 3.37Å; F126-F131 HydrophobicContact CE2-CZ 4.05Å; F126-F131 HydrophobicContact CZ-CD2 4.39Å; F126-F131 HydrophobicContact CZ-CE2 4.13Å; L128-F131 CarbonylContact O-C 3.59Å; L128-F131 WeakPolarHBondContact O-CA 3.44Å; L128-F131 PolarHBondContact O-N 2.98Å; L129-F131 PolarHBondContact O-N 3.05Å; F131-D133 VanDerWaalsContact C-N 3.28Å; F131-D133 PolarHBondContact O-N 3.45Å; F131-D133 VanDerWaalsContact O-N 3.17Å; F131-Y134 HydrophobicContact CB-CD2 4.18Å; F131-Y134 PolarHBondContact O-N 3.47Å; F131-A135 WeakPolarHBondContact O-CB 3.48Å; F131-A135 PolarHBondContact O-N 2.87Å; F131-L336 HydrophobicContact CE1-CD2 4.19Å; F131-L336 HydrophobicContact CE2-CD2 4.27Å; F131-L336 HydrophobicContact CZ-CD2 3.57Å
132P78Confident71.4Confident92 Ų9254.7 Ų54.760%0.59730%0.303SS*.Hα-helixtrans-56.3-37.8-168.218.7-30.8000113.8Y134 A135 A136P132-Y134 VanDerWaalsContact C-N 3.34Å; P132-Y134 PolarHBondContact O-N 3.47Å; P132-A135 PolarHBondContact O-N 2.87Å; P132-A136 PolarHBondContact O-N 3.45Å
133D79.8Confident69.8Low74 Ų7462.5 Ų62.540%0.39633%0.331SS..Hα-helixtrans-62.5-40.3178.4-56.3-42.5000112.3F131 F137 F340F131-D133 VanDerWaalsContact C-N 3.28Å; F131-D133 PolarHBondContact O-N 3.45Å; F131-D133 VanDerWaalsContact O-N 3.17Å; D133-F137 WeakPolarHBondContact O-CD2 2.89Å; D133-F137 VanDerWaalsContact O-CE2 3.32Å; D133-F137 WeakPolarHBondContact O-CE2 3.41Å; D133-F340 HydrophobicContact CB-CB 3.72Å; D133-F340 HydrophobicContact CB-CD1 3.9Å; D133-F340 HydrophobicContact CB-CD2 3.81Å; D133-F340 HydrophobicContact CB-CE2 4.43Å; D133-F340 HydrophobicContact CB-CG 3.52Å
134Y81.6Confident68.1Low5 Ų561.6 Ų61.62%0.0233%0.326CS..Hα-helixtrans-79.1-33.5175.2-71.8-54.4000112.5F131 P132 A136 F137 V335 Y338 F340 L343 P435 L441F131-Y134 HydrophobicContact CB-CD2 4.18Å; F131-Y134 PolarHBondContact O-N 3.47Å; P132-Y134 VanDerWaalsContact C-N 3.34Å; P132-Y134 PolarHBondContact O-N 3.47Å; Y134-A136 PolarHBondContact O-N 3.48Å; Y134-F137 WeakPolarHBondContact O-CB 3.35Å; Y134-F137 PolarHBondContact O-N 3.12Å; Y134-F137 VanDerWaalsContact O-N 3.11Å; Y134-V335 HydrophobicContact CD2-CG1 3.62Å; Y134-V335 HydrophobicContact CE2-CG1 3.8Å; Y134-V335 HydrophobicContact CG-CG1 4.29Å; Y134-Y338 PolarHBondContact OH-O 3.28Å; Y134-F340 HydrophobicContact CD1-CD2 4.12Å; Y134-F340 AromaticContact CE1-CD2 3.74Å; Y134-F340 HydrophobicContact CE1-CD2 3.74Å; Y134-F340 HydrophobicContact CE1-CE2 4.4Å; Y134-F340 HydrophobicContact CE2-CB 4.49Å; Y134-L343 HydrophobicContact CE1-CD1 4.43Å; Y134-P435 HydrophobicContact CD1-CB 4.22Å; Y134-P435 HydrophobicContact CD1-CG 3.75Å; Y134-P435 HydrophobicContact CE1-CG 4.42Å; Y134-P435 HydrophobicContact CG-CG 4.3Å; Y134-L441 HydrophobicContact CE1-CD1 4.47Å; Y134-L441 HydrophobicContact CE1-CD2 3.7Å
135A77.8Confident66.5Low20 Ų2064.7 Ų64.717%0.16534%0.341CS..Hα-helixtrans-62.2-28.9176.800000112.3F131 P132 F137 M138F131-A135 WeakPolarHBondContact O-CB 3.48Å; F131-A135 PolarHBondContact O-N 2.87Å; P132-A135 PolarHBondContact O-N 2.87Å; A135-F137 PolarHBondContact O-N 2.82Å; A135-M138 HydrophobicContact CB-CE 3.63Å; A135-M138 VanDerWaalsContact O-CB 3.23Å; A135-M138 WeakPolarHBondContact O-CB 3.34Å; A135-M138 WeakPolarHBondContact O-CG 3.44Å; A135-M138 PolarHBondContact O-N 2.84Å
136A74.8Confident64.9Low36 Ų3670.2 Ų70.230%0.29836%0.361SS..THydrogen-bonded Turntrans-58.5-28.3175.400000112.7P132 Y134 M138 P350 P351P132-A136 PolarHBondContact O-N 3.45Å; Y134-A136 PolarHBondContact O-N 3.48Å; A136-M138 VanDerWaalsContact C-N 3.26Å; A136-M138 PolarHBondContact O-N 3.01Å; A136-P350 HydrophobicContact CB-CB 4.17Å; A136-P351 HydrophobicContact CB-CG 3.91Å; A136-P351 WeakPolarHBondContact O-CG 3.47Å
137F72.6Confident62.7Low21 Ų2175.7 Ų75.79%0.09239%0.385CS..THydrogen-bonded Turntrans-78.7-5.4176.5-63.3-81.9000113.7D133 Y134 A135 Q139 F340 I348 P350 P435 M436 N469D133-F137 WeakPolarHBondContact O-CD2 2.89Å; D133-F137 VanDerWaalsContact O-CE2 3.32Å; D133-F137 WeakPolarHBondContact O-CE2 3.41Å; Y134-F137 WeakPolarHBondContact O-CB 3.35Å; Y134-F137 PolarHBondContact O-N 3.12Å; Y134-F137 VanDerWaalsContact O-N 3.11Å; A135-F137 PolarHBondContact O-N 2.82Å; F137-Q139 PolarHBondContact O-N 3.24Å; F137-F340 AromaticContact CE2-CE2 3.8Å; F137-F340 HydrophobicContact CE2-CE2 3.8Å; F137-F340 HydrophobicContact CE2-CZ 4.36Å; F137-F340 HydrophobicContact CZ-CE2 4.28Å; F137-I348 HydrophobicContact CE1-CG2 3.8Å; F137-I348 HydrophobicContact CZ-CG2 3.9Å; F137-P350 HydrophobicContact CE2-CB 4.36Å; F137-P350 HydrophobicContact CZ-CB 4.49Å; F137-P435 HydrophobicContact CB-CB 3.73Å; F137-P435 HydrophobicContact CD2-CB 4.33Å; F137-P435 HydrophobicContact CG-CB 4.25Å; F137-M436 HydrophobicContact CD1-CE 4.15Å; F137-M436 HydrophobicContact CD2-CE 4.23Å; F137-M436 HydrophobicContact CE1-CE 4.14Å; F137-M436 HydrophobicContact CE2-CE 4.23Å; F137-M436 HydrophobicContact CG-CE 4.19Å; F137-M436 HydrophobicContact CZ-CE 4.17Å; F137-N469 WeakPolarHBondContact CD1-ND2 3.45Å; F137-N469 WeakPolarHBondContact CE1-ND2 3.43Å
138M69.3Low60.3Low57 Ų5778.5 Ų78.528%0.28140%0.399SS..SBendtrans-72.4117.1172.5-64.7-159.6-88.100110.5L128 L129 A135 A136 S140 V434L128-M138 HydrophobicContact CB-CE 4.18Å; L128-M138 HydrophobicContact CB-SD 4.36Å; L128-M138 HydrophobicContact CD2-CG 4Å; L128-M138 HydrophobicContact CD2-SD 4.22Å; L129-M138 HydrophobicContact CD2-CE 3.41Å; L129-M138 VanDerWaalsContact CD2-CE 3.41Å; L129-M138 HydrophobicContact CG-CE 3.85Å; A135-M138 HydrophobicContact CB-CE 3.63Å; A135-M138 VanDerWaalsContact O-CB 3.23Å; A135-M138 WeakPolarHBondContact O-CB 3.34Å; A135-M138 WeakPolarHBondContact O-CG 3.44Å; A135-M138 PolarHBondContact O-N 2.84Å; A136-M138 VanDerWaalsContact C-N 3.26Å; A136-M138 PolarHBondContact O-N 3.01Å; M138-S140 PolarHBondContact O-N 3.42Å; M138-V434 HydrophobicContact CG-CG1 3.66Å; M138-V434 HydrophobicContact SD-CG1 4.45Å
139Q60.6Low58Low74 Ų7484 Ų8435%0.34642%0.424SS..  trans-61.1136.1179-49.9177.48.900111.2F137 S141 H142F137-Q139 PolarHBondContact O-N 3.24Å; Q139-S141 PolarHBondContact O-N 3Å; Q139-S141 VanDerWaalsContact O-N 3.17Å; Q139-S141 PolarHBondContact OE1-OG 3.38Å; Q139-H142 VanDerWaalsContact CB-CD2 3.48Å; Q139-H142 WeakPolarHBondContact CB-CD2 3.4Å; Q139-H142 PolarHBondContact O-N 3.47Å; Q139-H142 PolarHBondContact OE1-NE2 2.83Å
140S44.4Very low55.6Low84 Ų8480.3 Ų80.359%0.58741%0.408SS*.G310 helixtrans-58.4-24.6172.340.30000113.6M138 R143M138-S140 PolarHBondContact O-N 3.42Å; S140-R143 WeakPolarHBondContact O-CB 3.45Å; S140-R143 PolarHBondContact O-N 3.45Å
141S41.8Very low53.3Low74 Ų7482.6 Ų82.652%0.51742%0.42SS..G310 helixtrans-76.4-16.317543.70000114.7Q139 R143Q139-S141 PolarHBondContact O-N 3Å; Q139-S141 VanDerWaalsContact O-N 3.17Å; Q139-S141 PolarHBondContact OE1-OG 3.38Å; S141-R143 PolarHBondContact O-N 3.49Å
142H45.8Very low50.9Low68 Ų6885.7 Ų85.732%0.31544%0.442SS..G310 helixtrans-79.3-5.8173.1-67.7-48.1000112.7Q139 E144Q139-H142 VanDerWaalsContact CB-CD2 3.48Å; Q139-H142 WeakPolarHBondContact CB-CD2 3.4Å; Q139-H142 PolarHBondContact O-N 3.47Å; Q139-H142 PolarHBondContact OE1-NE2 2.83Å; H142-E144 VanDerWaalsContact C-N 3.31Å; H142-E144 PolarHBondContact O-N 2.93Å
143R40.4Very low49.1Very low187 Ų18783.7 Ų83.771%0.70643%0.426SS*.G310 helixtrans-74.2-14.9176.5-69.1-174.5175.4-176.6-0.7114.1S140 S141 F146S140-R143 WeakPolarHBondContact O-CB 3.45Å; S140-R143 PolarHBondContact O-N 3.45Å; S141-R143 PolarHBondContact O-N 3.49Å; R143-F146 WeakPolarHBondContact O-CD2 3.34Å; R143-F146 WeakPolarHBondContact O-CE2 3.42Å
144E31.5Very low47Very low169 Ų16988.1 Ų88.179%0.7944%0.444SS*.SBendtrans-121.8-0.3-172.9-69.5-167.9161.400116.1H142H142-E144 VanDerWaalsContact C-N 3.31Å; H142-E144 PolarHBondContact O-N 2.93Å
145H35.8Very low45Very low158 Ų15894.5 Ų94.573%0.73148%0.479SS*.  trans-134.966.8171.8-72.9-61.2000111.5F147H145-F147 PolarHBondContact O-N 3.35Å
146F35.3Very low43.6Very low131 Ų13195.8 Ų95.858%0.57548%0.483SS*.  trans-72.350.4179-82.1-75.4000114.3R143R143-F146 WeakPolarHBondContact O-CD2 3.34Å; R143-F146 WeakPolarHBondContact O-CE2 3.42Å
147F36.4Very low42.1Very low116 Ų11698 Ų9851%0.50949%0.489SS..  trans-143.474.1167.5-80.8-71.1000108.1H145 K222 L243H145-F147 PolarHBondContact O-N 3.35Å; F147-K222 VanDerWaalsContact C-NZ 3.28Å; F147-K222 PolarHBondContact O-NZ 3.41Å; F147-L243 WeakPolarHBondContact CZ-O 3.47Å
148I33.9Very low40.5Very low66 Ų66100.8 Ų100.834%0.33851%0.511SS..  trans-90.9157.8-177.3-63.5-177.8000111.5
149Q33.5Very low39.1Very low115 Ų115102.4 Ų102.454%0.53752%0.521SS..  trans-90.3162.9-165-73.7163.5-53.400116.9H218 I219 R433Q149-H218 WeakPolarHBondContact CA-NE2 3.2Å; Q149-I219 HydrophobicContact CG-CD1 4.14Å; Q149-R433 PolarHBondContact O-NH2 2.85Å
150S30.5Very low38.1Very low35 Ų35106.6 Ų106.625%0.24554%0.541CS..  trans128.1154.614978.40000110.8H218 M322S150-H218 PolarHBondContact N-CE1 3.3Å; S150-H218 PolarHBondContact N-NE2 3.12Å; S150-H218 PolarHBondContact O-CE1 3.04Å; S150-M322 WeakPolarHBondContact OG-CE 3.48Å
151D33.5Very low37.8Very low118 Ų118105.5 Ų105.563%0.63153%0.533SS*.  cis-141.8-169.6-25.8-110.6-34.1000107.1D153D151-D153 PolarHBondContact O-N 3.17Å
152V32.8Very low38.1Very low100 Ų100109.8 Ų109.861%0.60654%0.542SS*.  trans-49.4119.5-162.9-1720000115.6
153D39.7Very low38.2Very low49 Ų49109.4 Ų109.426%0.26254%0.542SS..  trans-112.984.8166.4-74.6-51.9000108.7D151 D155 L156 V217D151-D153 PolarHBondContact O-N 3.17Å; D153-D155 VanDerWaalsContact C-N 3.28Å; D153-L156 HydrophobicContact CB-CB 4.04Å; D153-L156 HydrophobicContact CB-CD1 3.58Å; D153-L156 HydrophobicContact CB-CG 3.92Å; D153-L156 WeakPolarHBondContact OD2-CD1 3.39Å; D153-V217 HydrophobicContact CB-CG2 3.98Å
154E35.1Very low38.6Very low167 Ų167105 Ų10578%0.7853%0.526SS*.SBendtrans-72-25.6171.4-118.7-169.5175.300111.3
155D40.7Very low39.1Very low140 Ų14098.4 Ų98.475%0.74950%0.498SS*.G310 helixtrans-88.2-17.2-173.9-76.9-28.2000115D153 L157 S158D153-D155 VanDerWaalsContact C-N 3.28Å; D155-L157 PolarHBondContact O-N 3.45Å; D155-S158 PolarHBondContact O-N 3.11Å; D155-S158 PolarHBondContact O-OG 3.47Å
156L46.6Very low39.3Very low46 Ų4697.5 Ų97.524%0.24151%0.506CS..G310 helixtrans-73.1-10.1-176.6-80.9176.1000114.3D153 V217D153-L156 HydrophobicContact CB-CB 4.04Å; D153-L156 HydrophobicContact CB-CD1 3.58Å; D153-L156 HydrophobicContact CB-CG 3.92Å; D153-L156 WeakPolarHBondContact OD2-CD1 3.39Å; L156-V217 HydrophobicContact CB-CG2 4.16Å; L156-V217 HydrophobicContact CD1-CB 4.47Å; L156-V217 HydrophobicContact CD1-CG2 3.9Å
157L44.3Very low39.9Very low83 Ų8395.2 Ų95.244%0.43552%0.52SS..G310 helixtrans-108.3-2.1176.8-62.1177.2000113.6D155 D159 R220D155-L157 PolarHBondContact O-N 3.45Å; L157-D159 VanDerWaalsContact C-N 3.26Å; L157-D159 PolarHBondContact O-N 3.27Å; L157-R220 VanDerWaalsContact CD1-CZ 3.45Å
158S38.7Very low40.4Very low79 Ų7990.9 Ų90.955%0.55250%0.502SS*.  trans-75.8-15.7-178.7-51.30000113D155 E160D155-S158 PolarHBondContact O-N 3.11Å; D155-S158 PolarHBondContact O-OG 3.47Å; S158-E160 PolarHBondContact O-N 3.17Å
159D40.9Very low40.5Very low92 Ų9296.5 Ų96.549%0.49253%0.526SS..  trans-74.565.5172.9-109.1-17.3000109.9R114 L157 S161R114-D159 IonicContact NH2-OD2 3.73Å; R114-D159 PolarHBondContact NH2-OD2 3.46Å; R114-D159 VanDerWaalsContact NH2-OD2 3.13Å; L157-D159 VanDerWaalsContact C-N 3.26Å; L157-D159 PolarHBondContact O-N 3.27Å; D159-S161 PolarHBondContact O-N 3.03Å; D159-S161 VanDerWaalsContact O-N 3.07Å
160E38Very low41Very low161 Ų161101.3 Ų101.375%0.75254%0.54SS*.  trans-72.114.2169.1-72.9-145.6175.300112.8S158S158-E160 PolarHBondContact O-N 3.17Å
161S39.2Very low41.8Very low61 Ų61101.8 Ų101.843%0.42754%0.536SS..SBendtrans-112.8132.3171.368.30000110.1D159D159-S161 PolarHBondContact O-N 3.03Å; D159-S161 VanDerWaalsContact O-N 3.07Å
162F47.2Very low42.2Very low164 Ų16499.6 Ų99.672%0.71953%0.531SS*.  trans91.762.9169.6-53.2-79.6000118.4Q113Q113-F162 PolarHBondContact NE2-O 3.5Å
163I47.3Very low42.5Very low61 Ų6199.6 Ų99.631%0.31353%0.531SS..SBendtrans-104.4-18.7156.3-50.9171.2000112D90 H91D90-I163 HydrophobicContact CB-CD1 4.25Å; D90-I163 HydrophobicContact CB-CG2 4.3Å; H91-I163 WeakPolarHBondContact CE1-CD1 3.29Å; H91-I163 WeakPolarHBondContact NE2-CD1 3.28Å; H91-I163 WeakPolarHBondContact NE2-CG1 3.45Å
164Y49.3Very low42.7Very low93 Ų93103.9 Ų103.937%0.36555%0.554SS.*SBendtrans-96.7139.9-176.4-56-64.3000111.5I168 Y171Y164-I168 HydrophobicContact CD1-CG2 4.07Å; Y164-I168 HydrophobicContact CG-CG2 4.26Å; Y164-Y171 HydrophobicContact CD1-CD2 4.5Å; Y164-Y171 AromaticContact CD1-CE2 3.89Å; Y164-Y171 HydrophobicContact CD1-CE2 3.89Å; Y164-Y171 AromaticContact CE1-CD2 3.71Å; Y164-Y171 HydrophobicContact CE1-CD2 3.71Å; Y164-Y171 AromaticContact CE1-CE2 3.53Å; Y164-Y171 HydrophobicContact CE1-CE2 3.53Å
165P43.2Very low43.4Very low32 Ų3296.9 Ų96.921%0.20853%0.526CS..PPolyproline II helixtrans-48.4143.1161.1-22.831.1000109.9G167 I168P165-G167 PolarHBondContact O-N 3.06Å; P165-I168 HydrophobicContact CB-CD1 4.1Å; P165-I168 HydrophobicContact CG-CD1 4.03Å; P165-I168 PolarHBondContact O-N 2.91Å
166P39.5Very low43.8Very low138 Ų13894.1 Ų94.190%0.89651%0.511SS*.THydrogen-bonded Turntrans-51.2125.8179-24.131.4000111.4
167G47.8Very low44Very low83 Ų8398.1 Ų98.186%0.85653%0.528SS*.THydrogen-bonded Turntrans10211.6177.100000117P165P165-G167 PolarHBondContact O-N 3.06Å
168I46.4Very low44.3Very low26 Ų2699.9 Ų99.913%0.13354%0.538CS..  trans-115.4104.8179.4-69174.8000109.3W54 Y164 P165 Y171W54-I168 HydrophobicContact CG-CD1 4.46Å; Y164-I168 HydrophobicContact CD1-CG2 4.07Å; Y164-I168 HydrophobicContact CG-CG2 4.26Å; P165-I168 HydrophobicContact CB-CD1 4.1Å; P165-I168 HydrophobicContact CG-CD1 4.03Å; P165-I168 PolarHBondContact O-N 2.91Å; I168-Y171 HydrophobicContact CG2-CE2 3.72Å; I168-Y171 WeakPolarHBondContact CG2-OH 3.15Å
169E37Very low45.2Very low183 Ų183100.8 Ų100.886%0.85554%0.542SS*.  trans-77152.3174.1-67.7-177.6177.800111.3
170R42.5Very low46.4Very low216 Ų21698.2 Ų98.282%0.81553%0.528SS*.  trans-42.6129.3-172.2-66.6170.6175.3148.9-3114.1
171Y48.8Very low47.9Very low45 Ų4594.2 Ų94.218%0.17652%0.516CS..  trans-67.7130.8173.3-64.1-81.6000111.8E35 Y52 W54 Y164 I168E35-Y171 PolarHBondContact OE1-OH 3.17Å; E35-Y171 VanDerWaalsContact OE1-OH 3.13Å; E35-Y171 WeakPolarHBondContact OE2-CE1 3.39Å; Y52-Y171 HydrophobicContact CE1-CE1 4.15Å; Y52-Y171 AromaticContact CZ-CE1 3.74Å; Y52-Y171 WeakPolarHBondContact OH-CD1 3.42Å; Y52-Y171 WeakPolarHBondContact OH-CE1 3.29Å; W54-Y171 AromaticContact CD1-CZ 3.82Å; W54-Y171 AromaticContact NE1-CE2 3.87Å; W54-Y171 AromaticContact NE1-CZ 3.38Å; W54-Y171 PolarHBondContact NE1-OH 2.91Å; Y164-Y171 HydrophobicContact CD1-CD2 4.5Å; Y164-Y171 AromaticContact CD1-CE2 3.89Å; Y164-Y171 HydrophobicContact CD1-CE2 3.89Å; Y164-Y171 AromaticContact CE1-CD2 3.71Å; Y164-Y171 HydrophobicContact CE1-CD2 3.71Å; Y164-Y171 AromaticContact CE1-CE2 3.53Å; Y164-Y171 HydrophobicContact CE1-CE2 3.53Å; I168-Y171 HydrophobicContact CG2-CE2 3.72Å; I168-Y171 WeakPolarHBondContact CG2-OH 3.15Å
172S40.3Very low49.3Very low73 Ų7394 Ų9451%0.5151%0.513SS..  trans29.499.4160.2-168.60000116.4D174S172-D174 PolarHBondContact O-N 3.11Å
173T40.3Very low50.4Low100 Ų10088.7 Ų88.761%0.61350%0.504SS*.  trans-65.9-13.1178.140.40000115.5G175 H177T173-G175 PolarHBondContact O-N 3.44Å; T173-H177 PolarHBondContact O-CE1 2.63Å; T173-H177 PolarHBondContact O-ND1 3.22Å
174D44.8Very low51.7Low139 Ų13989.6 Ų89.674%0.74350%0.504SS*.SBendtrans-88.974.6-162.5-66.5-5.4000113.1S172S172-D174 PolarHBondContact O-N 3.11Å
175G48Very low52.9Low19 Ų1988.2 Ų88.220%0.19650%0.5CS..SBendtrans156.1-27.4164.300000116T173 H177 L178T173-G175 PolarHBondContact O-N 3.44Å; G175-H177 PolarHBondContact O-N 3.32Å; G175-L178 PolarHBondContact O-N 3.15Å
176D50.3Low54.5Low82 Ų8294.4 Ų94.444%0.43952%0.519SS..THydrogen-bonded Turntrans-74-11.7-170.6-75.69000114.3N67N67-D176 PolarHBondContact ND2-OD1 3.17Å
177H49.8Very low56.5Low130 Ų13091.1 Ų91.160%0.60249%0.492SS*.THydrogen-bonded Turntrans-98.1-2.1-178.553.2-86.8000113.5T173 G175T173-H177 PolarHBondContact O-CE1 2.63Å; T173-H177 PolarHBondContact O-ND1 3.22Å; G175-H177 PolarHBondContact O-N 3.32Å
178L50.8Low58.1Low120 Ų12087.1 Ų87.163%0.62845%0.451SS*.SBendtrans-104.6128179-70.1170.1000111.2G175 L180G175-L178 PolarHBondContact O-N 3.15Å; L178-L180 PolarHBondContact O-N 3Å
179P57.4Low59.7Low98 Ų9886.6 Ų86.664%0.63645%0.448SS*.PPolyproline II helixtrans-66.1129.1-179.325.6-32.5000111.5
180L65.6Low61.8Low38 Ų3885.7 Ų85.720%0.19944%0.437CS..PPolyproline II helixtrans-77.2127.5176.3-72.2169.8000111.1F45 L66 L178 R184 L188 Y204F45-L180 HydrophobicContact CE2-CD2 4.26Å; F45-L180 HydrophobicContact CZ-CD2 4.15Å; L66-L180 HydrophobicContact CD1-CD1 3.56Å; L66-L180 HydrophobicContact CD2-CD1 3.64Å; L66-L180 HydrophobicContact CG-CD1 4.26Å; L178-L180 PolarHBondContact O-N 3Å; L180-R184 HydrophobicContact CD2-CG 4.41Å; L180-L188 HydrophobicContact CD1-CD1 4Å; L180-Y204 PolarHBondContact O-OH 2.54Å
181P71.3Confident63.8Low78 Ų7879 Ų7951%0.50642%0.42SS..PPolyproline II helixtrans-59.5147.2174.7-24.233.3000112.7G183 R184 K185P181-G183 VanDerWaalsContact C-N 3.26Å; P181-G183 PolarHBondContact O-N 2.99Å; P181-G183 VanDerWaalsContact O-N 3.14Å; P181-R184 PolarHBondContact O-N 3.39Å; P181-K185 PolarHBondContact O-N 3.04Å
182P67.1Low65.5Low56 Ų5677.4 Ų77.436%0.36441%0.414SS..Hα-helixtrans-51.5-41.2-178.4-5.1-5.3000114.4K185 R186 Y204P182-K185 PolarHBondContact O-N 3.26Å; P182-R186 WeakPolarHBondContact O-CG 3.41Å; P182-R186 PolarHBondContact O-N 3.36Å; P182-Y204 HydrophobicContact CB-CD1 3.55Å; P182-Y204 HydrophobicContact CB-CE1 3.35Å; P182-Y204 HydrophobicContact CB-CG 4.3Å; P182-Y204 HydrophobicContact CG-CD1 4Å; P182-Y204 HydrophobicContact CG-CE1 3.41Å; P182-Y204 VanDerWaalsContact CG-CE1 3.41Å
183G71.4Confident67.4Low52 Ų5275.9 Ų75.954%0.53640%0.399SS..Hα-helixtrans-63.7-42.1178.800000112.7P181 E187P181-G183 VanDerWaalsContact C-N 3.26Å; P181-G183 PolarHBondContact O-N 2.99Å; P181-G183 VanDerWaalsContact O-N 3.14Å; G183-E187 PolarHBondContact O-N 3.11Å
184R74.1Confident69.1Low80 Ų8072.5 Ų72.530%0.30238%0.384SS..Hα-helixtrans-69.4-38.2178.4-168.7171.4-179.8165.80.1111.2L180 P181 E187 L188L180-R184 HydrophobicContact CD2-CG 4.41Å; P181-R184 PolarHBondContact O-N 3.39Å; R184-E187 WeakPolarHBondContact O-CB 3.31Å; R184-E187 PolarHBondContact O-N 3.4Å; R184-L188 HydrophobicContact CG-CD1 4.29Å; R184-L188 WeakPolarHBondContact O-CD1 3.39Å; R184-L188 WeakPolarHBondContact O-CG 3.47Å; R184-L188 PolarHBondContact O-N 3.24Å; R184-L188 VanDerWaalsContact O-N 3.12Å
185K75.2Confident70.1Confident65 Ų6574.9 Ų74.928%0.28339%0.39SS..Hα-helixtrans-64.4-46175.2-171.9176.9177.4174.10112.1Y65 P181 P182 E187 L188 D189 Y204Y65-K185 WeakPolarHBondContact OH-CE 3.36Å; P181-K185 PolarHBondContact O-N 3.04Å; P182-K185 PolarHBondContact O-N 3.26Å; K185-E187 PolarHBondContact O-N 3.02Å; K185-L188 WeakPolarHBondContact O-CB 3.42Å; K185-L188 PolarHBondContact O-N 3.01Å; K185-L188 VanDerWaalsContact O-N 3.12Å; K185-D189 PolarHBondContact O-N 3.28Å; K185-Y204 HydrophobicContact CB-CE2 4.34Å; K185-Y204 HydrophobicContact CD-CD2 3.8Å; K185-Y204 HydrophobicContact CD-CE2 3.6Å
186R75.6Confident70.6Confident161 Ų16183.5 Ų83.561%0.60842%0.422SS*.Hα-helixtrans-58.4-36.7176.9-73.7177.7-168.91702.5113P182 R190P182-R186 WeakPolarHBondContact O-CG 3.41Å; P182-R186 PolarHBondContact O-N 3.36Å; R186-R190 WeakPolarHBondContact O-CB 3.44Å; R186-R190 PolarHBondContact O-N 3.12Å; R186-R190 VanDerWaalsContact O-N 3.08Å
187E82.3Confident71.1Confident69 Ų6983.3 Ų83.332%0.32242%0.415SS..Hα-helixtrans-64.9-47.8175.9-174.4-174.5-161.400111Y42 K43 G183 R184 K185 R190 V191Y42-E187 HydrophobicContact CE1-CG 4.22Å; Y42-E187 WeakPolarHBondContact OH-CG 3.17Å; Y42-E187 PolarHBondContact OH-OE1 3.34Å; K43-E187 WeakPolarHBondContact CE-OE1 3.39Å; K43-E187 IonicContact NZ-OE1 2.8Å; K43-E187 PolarHBondContact NZ-OE1 3.3Å; K43-E187 IonicContact NZ-OE2 2.86Å; K43-E187 PolarHBondContact NZ-OE2 3.2Å; G183-E187 PolarHBondContact O-N 3.11Å; R184-E187 WeakPolarHBondContact O-CB 3.31Å; R184-E187 PolarHBondContact O-N 3.4Å; K185-E187 PolarHBondContact O-N 3.02Å; E187-R190 PolarHBondContact O-N 3.45Å; E187-V191 VanDerWaalsContact O-CG2 3.31Å; E187-V191 WeakPolarHBondContact O-CG2 3.34Å; E187-V191 PolarHBondContact O-N 3.18Å; E187-V191 VanDerWaalsContact O-N 3.16Å
188L80.7Confident71.5Confident0 Ų084.4 Ų84.40%042%0.421CS..Hα-helixtrans-60-47.9174-74.8154.3000112.3Y42 H47 L66 L180 R184 K185 R190 V191 F192Y42-L188 HydrophobicContact CD1-CD2 3.47Å; Y42-L188 VanDerWaalsContact CD1-CD2 3.47Å; Y42-L188 HydrophobicContact CD1-CG 4.2Å; Y42-L188 HydrophobicContact CE1-CD2 4.13Å; Y42-L188 HydrophobicContact CE1-CG 4.39Å; Y42-L188 HydrophobicContact CG-CD2 4.33Å; H47-L188 PolarHBondContact CE1-O 3.23Å; H47-L188 PolarHBondContact NE2-O 3.45Å; L66-L188 HydrophobicContact CD2-CD1 3.73Å; L66-L188 HydrophobicContact CD2-CD2 4.13Å; L66-L188 HydrophobicContact CD2-CG 4.5Å; L180-L188 HydrophobicContact CD1-CD1 4Å; R184-L188 HydrophobicContact CG-CD1 4.29Å; R184-L188 WeakPolarHBondContact O-CD1 3.39Å; R184-L188 WeakPolarHBondContact O-CG 3.47Å; R184-L188 PolarHBondContact O-N 3.24Å; R184-L188 VanDerWaalsContact O-N 3.12Å; K185-L188 WeakPolarHBondContact O-CB 3.42Å; K185-L188 PolarHBondContact O-N 3.01Å; K185-L188 VanDerWaalsContact O-N 3.12Å; L188-R190 VanDerWaalsContact C-N 3.29Å; L188-R190 PolarHBondContact O-N 3.03Å; L188-V191 PolarHBondContact O-N 3.43Å; L188-V191 VanDerWaalsContact O-N 3.09Å; L188-F192 PolarHBondContact O-N 3.34Å
189D79.8Confident71.5Confident14 Ų1482.9 Ų82.98%0.07542%0.418CS..Hα-helixtrans-58.8-42.3179.6-63.8-14.3000111.2Y65 K185 V191 F192 H193 W197Y65-D189 WeakPolarHBondContact CE2-OD1 3.35Å; Y65-D189 PolarHBondContact OH-OD1 2.98Å; K185-D189 PolarHBondContact O-N 3.28Å; D189-V191 VanDerWaalsContact C-N 3.32Å; D189-V191 PolarHBondContact O-N 3.24Å; D189-F192 PolarHBondContact O-N 3.01Å; D189-H193 PolarHBondContact O-CD2 3.06Å; D189-H193 PolarHBondContact O-N 3.17Å; D189-W197 HydrophobicContact CB-CE3 4.18Å; D189-W197 HydrophobicContact CB-CH2 3.61Å; D189-W197 HydrophobicContact CB-CZ2 4.27Å; D189-W197 HydrophobicContact CB-CZ3 3.56Å; D189-W197 WeakPolarHBondContact OD2-CH2 3.4Å
190R82.3Confident71Confident165 Ų16587 Ų8762%0.62343%0.429SS*.Hα-helixtrans-62.4-39.4176.9-174.4-175.4-61.8-175.9-1.7112R186 E187 L188 G194R186-R190 WeakPolarHBondContact O-CB 3.44Å; R186-R190 PolarHBondContact O-N 3.12Å; R186-R190 VanDerWaalsContact O-N 3.08Å; E187-R190 PolarHBondContact O-N 3.45Å; L188-R190 VanDerWaalsContact C-N 3.29Å; L188-R190 PolarHBondContact O-N 3.03Å; R190-G194 WeakPolarHBondContact O-CA 3.44Å; R190-G194 PolarHBondContact O-N 2.98Å
191V84.6Confident70.2Confident74 Ų7489 Ų8945%0.44845%0.45SS..Hα-helixtrans-69.1-38.9178.5173.40000110.8Y42 E187 L188 D189Y42-V191 HydrophobicContact CD2-CG1 4.01Å; Y42-V191 HydrophobicContact CD2-CG2 4.15Å; Y42-V191 HydrophobicContact CE2-CB 4.49Å; Y42-V191 HydrophobicContact CE2-CG1 4.31Å; Y42-V191 HydrophobicContact CE2-CG2 3.64Å; E187-V191 VanDerWaalsContact O-CG2 3.31Å; E187-V191 WeakPolarHBondContact O-CG2 3.34Å; E187-V191 PolarHBondContact O-N 3.18Å; E187-V191 VanDerWaalsContact O-N 3.16Å; L188-V191 PolarHBondContact O-N 3.43Å; L188-V191 VanDerWaalsContact O-N 3.09Å; D189-V191 VanDerWaalsContact C-N 3.32Å; D189-V191 PolarHBondContact O-N 3.24Å
192F84.3Confident69.3Low12 Ų1290.3 Ų90.35%0.05345%0.445CS..Hα-helixtrans-77-50-177.8-167.6-101.2000114.1H47 K63 F64 Y65 E70 L188 D189 H228H47-F192 WeakPolarHBondContact NE2-CB 2.93Å; K63-F192 HydrophobicContact CB-CE2 3.9Å; K63-F192 HydrophobicContact CB-CZ 3.92Å; K63-F192 HydrophobicContact CD-CE2 4.18Å; K63-F192 HydrophobicContact CD-CZ 4.09Å; K63-F192 HydrophobicContact CG-CE2 4.48Å; F64-F192 VanDerWaalsContact O-CE2 3.23Å; F64-F192 WeakPolarHBondContact O-CE2 3.38Å; Y65-F192 HydrophobicContact CD2-CB 3.98Å; Y65-F192 HydrophobicContact CD2-CD1 4.11Å; Y65-F192 HydrophobicContact CD2-CD2 4.03Å; Y65-F192 AromaticContact CD2-CG 3.78Å; Y65-F192 HydrophobicContact CD2-CG 3.78Å; Y65-F192 HydrophobicContact CE2-CB 4.37Å; E70-F192 HydrophobicContact CB-CZ 4.03Å; E70-F192 HydrophobicContact CG-CE1 4.3Å; E70-F192 HydrophobicContact CG-CZ 4.17Å; L188-F192 PolarHBondContact O-N 3.34Å; D189-F192 PolarHBondContact O-N 3.01Å; F192-H228 AromaticContact CE1-CE1 3.67Å
193H79.1Confident68.2Low42 Ų4292.1 Ų92.119%0.19446%0.457CS..Hα-helixtrans-93.5-14.8-173.8-58.8-79.9000113.4D189 W197 E227D189-H193 PolarHBondContact O-CD2 3.06Å; D189-H193 PolarHBondContact O-N 3.17Å; H193-W197 HydrophobicContact CB-CB 3.53Å; H193-W197 HydrophobicContact CB-CD2 4.08Å; H193-W197 HydrophobicContact CB-CG 3.38Å; H193-W197 AromaticContact CD2-CE2 3.89Å; H193-W197 AromaticContact CD2-NE1 3.74Å; H193-W197 AromaticContact CG-CD1 3.53Å; H193-W197 AromaticContact CG-CG 3.93Å; H193-W197 AromaticContact CG-NE1 3.64Å; H193-W197 AromaticContact ND1-CD1 3.98Å; H193-W197 AromaticContact ND1-NE1 3.98Å; H193-E227 IonicContact CE1-OE1 3.75Å; H193-E227 PolarHBondContact CE1-OE1 3.06Å; H193-E227 IonicContact ND1-OE1 2.74Å; H193-E227 IonicContact NE2-OE1 3.18Å; H193-E227 PolarHBondContact NE2-OE1 3.26Å
194G76.4Confident66.8Low29 Ų2993.7 Ų93.730%0.29945%0.447SS..  trans83.4176.5-179.600000114.3R190 K196 W197R190-G194 WeakPolarHBondContact O-CA 3.44Å; R190-G194 PolarHBondContact O-N 2.98Å; G194-K196 VanDerWaalsContact C-N 3.27Å; G194-K196 PolarHBondContact O-N 3.29Å; G194-W197 VanDerWaalsContact O-CB 3.29Å; G194-W197 WeakPolarHBondContact O-CB 3.38Å; G194-W197 PolarHBondContact O-N 2.93Å
195E65.4Low65.3Low188 Ų18896.1 Ų96.188%0.87946%0.462SS*.THydrogen-bonded Turntrans-69.5-19.5-173.2-63.4-173.5158.500114.7W197E195-W197 VanDerWaalsContact C-N 3.26Å; E195-W197 PolarHBondContact O-N 3.12Å
196K59.6Low64Low200 Ų20094.5 Ų94.587%0.8746%0.464SS*.THydrogen-bonded Turntrans-83.4-0.4177.5-65.9-176.8179.5178.20113.1G194 E198G194-K196 VanDerWaalsContact C-N 3.27Å; G194-K196 PolarHBondContact O-N 3.29Å; K196-E198 PolarHBondContact O-N 2.96Å
197W61.3Low62.5Low79 Ų7997.5 Ų97.530%0.29948%0.477SS..  trans-75.7121.7177.4-177.577.3000110.2D189 H193 G194 E195 P199D189-W197 HydrophobicContact CB-CE3 4.18Å; D189-W197 HydrophobicContact CB-CH2 3.61Å; D189-W197 HydrophobicContact CB-CZ2 4.27Å; D189-W197 HydrophobicContact CB-CZ3 3.56Å; D189-W197 WeakPolarHBondContact OD2-CH2 3.4Å; H193-W197 HydrophobicContact CB-CB 3.53Å; H193-W197 HydrophobicContact CB-CD2 4.08Å; H193-W197 HydrophobicContact CB-CG 3.38Å; H193-W197 AromaticContact CD2-CE2 3.89Å; H193-W197 AromaticContact CD2-NE1 3.74Å; H193-W197 AromaticContact CG-CD1 3.53Å; H193-W197 AromaticContact CG-CG 3.93Å; H193-W197 AromaticContact CG-NE1 3.64Å; H193-W197 AromaticContact ND1-CD1 3.98Å; H193-W197 AromaticContact ND1-NE1 3.98Å; G194-W197 VanDerWaalsContact O-CB 3.29Å; G194-W197 WeakPolarHBondContact O-CB 3.38Å; G194-W197 PolarHBondContact O-N 2.93Å; E195-W197 VanDerWaalsContact C-N 3.26Å; E195-W197 PolarHBondContact O-N 3.12Å; W197-P199 HydrophobicContact CZ3-CB 4.35Å; W197-P199 WeakPolarHBondContact O-CD 3.26Å
198E58.2Low60.6Low152 Ų152101.7 Ų101.771%0.7149%0.494SS*.  trans-77.7109.5-176.8-69.6179.8-178.700110.9K196 E200K196-E198 PolarHBondContact O-N 2.96Å; E198-E200 PolarHBondContact O-N 3.3Å
199P50.3Low59.2Low89 Ų89111.5 Ų111.558%0.57853%0.531SS*.G310 helixtrans-70.6-16.7-177-15.731.7000113.3W197W197-P199 HydrophobicContact CZ3-CB 4.35Å; W197-P199 WeakPolarHBondContact O-CD 3.26Å
200E46.8Very low58.1Low185 Ų185113.4 Ų113.486%0.86454%0.541SS*.G310 helixtrans-86.2-12.6-170.3-62.9-174.2173.900113.7E198 R202E198-E200 PolarHBondContact O-N 3.3Å; E200-R202 VanDerWaalsContact C-N 3.27Å; E200-R202 PolarHBondContact O-N 3.29Å
201A48.8Very low56.9Low78 Ų78108.2 Ų108.265%0.64553%0.529SS*.G310 helixtrans-70.8-19.717900000113.5
202R51.6Low55.8Low107 Ų107105.2 Ų105.240%0.40451%0.51SS..SBendtrans-146.296.4175.7-65.5-171.8-170.7-70.4-12111.5E200 Y204 L212 A223E200-R202 VanDerWaalsContact C-N 3.27Å; E200-R202 PolarHBondContact O-N 3.29Å; R202-Y204 PolarHBondContact O-N 3.25Å; R202-L212 VanDerWaalsContact CZ-CD1 3.4Å; R202-L212 VanDerWaalsContact CZ-CD2 3.41Å; R202-L212 VanDerWaalsContact NH2-CD1 3.34Å; R202-A223 VanDerWaalsContact NH2-CB 3.31Å
203P43.5Very low54.8Low94 Ų94107.3 Ų107.361%0.6153%0.526SS*.  trans-61.7125.3175.222.7-30.3000110.3Q205P203-Q205 PolarHBondContact O-N 3.48Å
204Y42.8Very low54.1Low84 Ų84109.4 Ų109.433%0.32955%0.551SS.*  trans-59.1107.2173.2178.3-90.1000110L180 P182 K185 R202 G206L180-Y204 PolarHBondContact O-OH 2.54Å; P182-Y204 HydrophobicContact CB-CD1 3.55Å; P182-Y204 HydrophobicContact CB-CE1 3.35Å; P182-Y204 HydrophobicContact CB-CG 4.3Å; P182-Y204 HydrophobicContact CG-CD1 4Å; P182-Y204 HydrophobicContact CG-CE1 3.41Å; P182-Y204 VanDerWaalsContact CG-CE1 3.41Å; K185-Y204 HydrophobicContact CB-CE2 4.34Å; K185-Y204 HydrophobicContact CD-CD2 3.8Å; K185-Y204 HydrophobicContact CD-CE2 3.6Å; R202-Y204 PolarHBondContact O-N 3.25Å; Y204-G206 VanDerWaalsContact CE1-CA 3.47Å; Y204-G206 PolarHBondContact O-N 3.22Å
205Q43.3Very low53.5Low132 Ų132113 Ų11362%0.61756%0.559SS**  trans-94.839.3178.1-74.7-171.9-500113.1P203 Y207P203-Q205 PolarHBondContact O-N 3.48Å; Q205-Y207 PolarHBondContact O-N 2.8Å
206G48.3Very low53.8Low31 Ų31104.7 Ų104.732%0.3252%0.521SS..THydrogen-bonded Turntrans64-126.517200000114.2Y204 K208Y204-G206 VanDerWaalsContact CE1-CA 3.47Å; Y204-G206 PolarHBondContact O-N 3.22Å; G206-K208 VanDerWaalsContact C-N 3.27Å; G206-K208 PolarHBondContact O-N 3.44Å; G206-K208 VanDerWaalsContact O-N 3.11Å
207Y42.8Very low54.4Low224 Ų22495.6 Ų95.688%0.87848%0.482SS*.THydrogen-bonded Turntrans-69.22.4-165.1-63.4-87.1000117.3Q205Q205-Y207 PolarHBondContact O-N 2.8Å
208K41.8Very low54.8Low156 Ų15694 Ų9468%0.67848%0.478SS*.  trans-85.5133.5-176.4-73.6-174.4175.3-177.50111.9G206G206-K208 VanDerWaalsContact C-N 3.27Å; G206-K208 PolarHBondContact O-N 3.44Å; G206-K208 VanDerWaalsContact O-N 3.11Å
209R52.3Low55.4Low207 Ų20788.8 Ų88.878%0.78146%0.455SS*.SBendtrans-48.6141160.2-72.5179.5175.4-176.2-5.8107.7S213R209-S213 PolarHBondContact O-OG 2.83Å
210D56.4Low56.9Low53 Ų5385.3 Ų85.328%0.28343%0.43SS..  trans0.4114.9-179.517914.6000114.8H88 L212 S213H88-D210 IonicContact NE2-OD2 3.62Å; D210-L212 PolarHBondContact O-N 2.82Å; D210-L212 WeakPolarHBondContact OD1-CB 3.45Å; D210-L212 PolarHBondContact OD1-N 3.39Å; D210-L212 WeakPolarHBondContact OD2-CB 3.41Å; D210-S213 VanDerWaalsContact O-CB 3.22Å; D210-S213 WeakPolarHBondContact O-CB 3.28Å; D210-S213 PolarHBondContact O-N 3.08Å; D210-S213 PolarHBondContact O-OG 3.38Å
211P57.2Low58.7Low57 Ų5777.1 Ų77.137%0.3739%0.392SS..THydrogen-bonded Turntrans-52.7-22.1179.1-23.231.8000113.8F215P211-F215 WeakPolarHBondContact O-CE2 3.48Å
212L61.8Low60.1Low11 Ų1176.5 Ų76.56%0.05838%0.375CS..THydrogen-bonded Turntrans-83.2-14.1175.7-78.2178.2000115.4R202 D210 A214 F215 R220 A223R202-L212 VanDerWaalsContact CZ-CD1 3.4Å; R202-L212 VanDerWaalsContact CZ-CD2 3.41Å; R202-L212 VanDerWaalsContact NH2-CD1 3.34Å; D210-L212 PolarHBondContact O-N 2.82Å; D210-L212 WeakPolarHBondContact OD1-CB 3.45Å; D210-L212 PolarHBondContact OD1-N 3.39Å; D210-L212 WeakPolarHBondContact OD2-CB 3.41Å; L212-A214 PolarHBondContact O-N 2.92Å; L212-A214 VanDerWaalsContact O-N 3.15Å; L212-F215 HydrophobicContact CD2-CD2 3.92Å; L212-F215 HydrophobicContact CD2-CE2 4.38Å; L212-F215 HydrophobicContact CD2-CG 4.33Å; L212-F215 WeakPolarHBondContact O-CB 3.28Å; L212-F215 PolarHBondContact O-N 3.27Å; L212-R220 HydrophobicContact CB-CG 4.12Å; L212-R220 VanDerWaalsContact O-CD 3.22Å; L212-R220 WeakPolarHBondContact O-CD 3.33Å; L212-R220 VanDerWaalsContact O-CG 3.25Å; L212-R220 WeakPolarHBondContact O-CG 3.46Å; L212-A223 HydrophobicContact CD1-CB 3.59Å
213S63.2Low61.5Low55 Ų5572.2 Ų72.239%0.38536%0.362SS..THydrogen-bonded Turntrans-58.5-28-177.157.60000113.6R209 D210 F215R209-S213 PolarHBondContact O-OG 2.83Å; D210-S213 VanDerWaalsContact O-CB 3.22Å; D210-S213 WeakPolarHBondContact O-CB 3.28Å; D210-S213 PolarHBondContact O-N 3.08Å; D210-S213 PolarHBondContact O-OG 3.38Å; S213-F215 VanDerWaalsContact C-N 3.3Å
214A63.2Low63.5Low87 Ų8767.9 Ų67.972%0.71933%0.334SS*.THydrogen-bonded Turntrans-79.2-8.5175.400000114L212L212-A214 PolarHBondContact O-N 2.92Å; L212-A214 VanDerWaalsContact O-N 3.15Å
215F65.6Low65.5Low104 Ų10465.2 Ų65.246%0.45633%0.325SS..SBendtrans-94.6152.2-179.7-67.9-94.5000111.2P211 L212 S213 I219 R220P211-F215 WeakPolarHBondContact O-CE2 3.48Å; L212-F215 HydrophobicContact CD2-CD2 3.92Å; L212-F215 HydrophobicContact CD2-CE2 4.38Å; L212-F215 HydrophobicContact CD2-CG 4.33Å; L212-F215 WeakPolarHBondContact O-CB 3.28Å; L212-F215 PolarHBondContact O-N 3.27Å; S213-F215 VanDerWaalsContact C-N 3.3Å; F215-I219 HydrophobicContact CB-CB 4.17Å; F215-I219 HydrophobicContact CB-CG2 4.05Å; F215-I219 HydrophobicContact CD1-CG2 4.21Å; F215-I219 HydrophobicContact CG-CG2 4.31Å; F215-R220 HydrophobicContact CB-CG 4.29Å; F215-R220 WeakPolarHBondContact O-CD 3.35Å; F215-R220 WeakPolarHBondContact O-CG 3.5Å
216P70Confident67.4Low14 Ų1464.1 Ų64.19%0.09132%0.32CS..  trans-52.9146.5173.9-29.436.9000113.3H218 I219 R220P216-H218 WeakPolarHBondContact CB-CE1 3.33Å; P216-H218 WeakPolarHBondContact CB-ND1 3.44Å; P216-H218 PolarHBondContact O-N 3.45Å; P216-H218 VanDerWaalsContact O-N 3.08Å; P216-I219 WeakPolarHBondContact O-CB 3.36Å; P216-I219 PolarHBondContact O-N 3.24Å; P216-R220 WeakPolarHBondContact O-CG 3.35Å; P216-R220 PolarHBondContact O-N 3.22Å
217V72.6Confident68.9Low9 Ų966 Ų666%0.05532%0.32CS..Hα-helixtrans-50.3-39.1-175.8160.20000113.5F93 I111 D153 L156 I219 R220 M221F93-V217 HydrophobicContact CE2-CG1 3.99Å; F93-V217 HydrophobicContact CZ-CG1 4.18Å; I111-V217 HydrophobicContact CD1-CG1 3.3Å; I111-V217 HydrophobicContact CG1-CG1 4.48Å; D153-V217 HydrophobicContact CB-CG2 3.98Å; L156-V217 HydrophobicContact CB-CG2 4.16Å; L156-V217 HydrophobicContact CD1-CB 4.47Å; L156-V217 HydrophobicContact CD1-CG2 3.9Å; V217-I219 PolarHBondContact O-N 3.13Å; V217-R220 WeakPolarHBondContact O-CB 3.48Å; V217-R220 PolarHBondContact O-N 3.08Å; V217-M221 WeakPolarHBondContact O-CB 3.38Å; V217-M221 PolarHBondContact O-N 3.34Å
218H70.9Confident71Confident44 Ų4455.3 Ų55.320%0.20428%0.278CS..Hα-helixtrans-68.5-33.9179.670-87.2000113.4Q149 S150 P216 M221 K222Q149-H218 WeakPolarHBondContact CA-NE2 3.2Å; S150-H218 PolarHBondContact N-CE1 3.3Å; S150-H218 PolarHBondContact N-NE2 3.12Å; S150-H218 PolarHBondContact O-CE1 3.04Å; P216-H218 WeakPolarHBondContact CB-CE1 3.33Å; P216-H218 WeakPolarHBondContact CB-ND1 3.44Å; P216-H218 PolarHBondContact O-N 3.45Å; P216-H218 VanDerWaalsContact O-N 3.08Å; H218-M221 PolarHBondContact O-N 2.95Å; H218-K222 WeakPolarHBondContact O-CG 3.43Å; H218-K222 PolarHBondContact O-N 3.34Å
219I71.1Confident72.9Confident44 Ų4455 Ų5523%0.22627%0.273CS..Hα-helixtrans-67.3-44.5174.7-64.8-56.3000109.6Q149 F215 P216 V217 M221 K222 A223Q149-I219 HydrophobicContact CG-CD1 4.14Å; F215-I219 HydrophobicContact CB-CB 4.17Å; F215-I219 HydrophobicContact CB-CG2 4.05Å; F215-I219 HydrophobicContact CD1-CG2 4.21Å; F215-I219 HydrophobicContact CG-CG2 4.31Å; P216-I219 WeakPolarHBondContact O-CB 3.36Å; P216-I219 PolarHBondContact O-N 3.24Å; V217-I219 PolarHBondContact O-N 3.13Å; I219-M221 VanDerWaalsContact C-N 3.3Å; I219-M221 PolarHBondContact O-N 3.09Å; I219-K222 PolarHBondContact O-N 3.17Å; I219-A223 WeakPolarHBondContact O-CB 3.33Å; I219-A223 PolarHBondContact O-N 3.13Å
220R81.1Confident74.3Confident15 Ų1551.6 Ų51.66%0.05727%0.269CS..Hα-helixtrans-59-45.5175.8-58.4174.247.6-143.3-6.3110.5F93 L157 L212 F215 P216 V217 A223 N224F93-R220 HydrophobicContact CE1-CB 3.9Å; F93-R220 HydrophobicContact CZ-CB 3.84Å; L157-R220 VanDerWaalsContact CD1-CZ 3.45Å; L212-R220 HydrophobicContact CB-CG 4.12Å; L212-R220 VanDerWaalsContact O-CD 3.22Å; L212-R220 WeakPolarHBondContact O-CD 3.33Å; L212-R220 VanDerWaalsContact O-CG 3.25Å; L212-R220 WeakPolarHBondContact O-CG 3.46Å; F215-R220 HydrophobicContact CB-CG 4.29Å; F215-R220 WeakPolarHBondContact O-CD 3.35Å; F215-R220 WeakPolarHBondContact O-CG 3.5Å; P216-R220 WeakPolarHBondContact O-CG 3.35Å; P216-R220 PolarHBondContact O-N 3.22Å; V217-R220 WeakPolarHBondContact O-CB 3.48Å; V217-R220 PolarHBondContact O-N 3.08Å; R220-A223 WeakPolarHBondContact O-CB 3.46Å; R220-A223 PolarHBondContact O-N 2.79Å; R220-N224 WeakPolarHBondContact O-CB 3.45Å; R220-N224 PolarHBondContact O-N 3.49Å
221M84.1Confident75.5Confident13 Ų1350.1 Ų50.16%0.06426%0.261CS..Hα-helixtrans-63.4-43.7178.9-173.9177.1-72.400112F93 I111 V217 H218 I219 N224 I225F93-M221 HydrophobicContact CD1-CB 4.36Å; F93-M221 HydrophobicContact CD2-CE 4.26Å; F93-M221 HydrophobicContact CE1-CB 3.82Å; F93-M221 VanDerWaalsContact CE1-N 3.33Å; F93-M221 HydrophobicContact CE2-CE 4.26Å; F93-M221 HydrophobicContact CZ-CB 4.04Å; I111-M221 HydrophobicContact CD1-CE 4.04Å; I111-M221 HydrophobicContact CG1-CE 3.62Å; V217-M221 WeakPolarHBondContact O-CB 3.38Å; V217-M221 PolarHBondContact O-N 3.34Å; H218-M221 PolarHBondContact O-N 2.95Å; I219-M221 VanDerWaalsContact C-N 3.3Å; I219-M221 PolarHBondContact O-N 3.09Å; M221-N224 WeakPolarHBondContact O-CB 3.43Å; M221-N224 PolarHBondContact O-N 3.41Å; M221-I225 HydrophobicContact CG-CD1 3.93Å; M221-I225 WeakPolarHBondContact O-CD1 3.46Å; M221-I225 VanDerWaalsContact O-CG1 3.23Å; M221-I225 WeakPolarHBondContact O-CG1 3.23Å; M221-I225 PolarHBondContact O-N 3.41Å
222K79.5Confident76.4Confident65 Ų6548.4 Ų48.428%0.28325%0.252SS..Hα-helixtrans-62.8-42.5175.2-73.7175.5-162.9172.90112.5F147 H218 I219 N224 I225 H226F147-K222 VanDerWaalsContact C-NZ 3.28Å; F147-K222 PolarHBondContact O-NZ 3.41Å; H218-K222 WeakPolarHBondContact O-CG 3.43Å; H218-K222 PolarHBondContact O-N 3.34Å; I219-K222 PolarHBondContact O-N 3.17Å; K222-N224 VanDerWaalsContact C-N 3.31Å; K222-N224 PolarHBondContact O-N 3.26Å; K222-I225 PolarHBondContact O-N 3.36Å; K222-H226 WeakPolarHBondContact O-CB 3.46Å; K222-H226 PolarHBondContact O-N 3.13Å
223A80.1Confident77.1Confident17 Ų1756.4 Ų56.414%0.1429%0.289CS..Hα-helixtrans-59.1-46.4175.500000110.6R202 L212 I219 R220 H226 E227R202-A223 VanDerWaalsContact NH2-CB 3.31Å; L212-A223 HydrophobicContact CD1-CB 3.59Å; I219-A223 WeakPolarHBondContact O-CB 3.33Å; I219-A223 PolarHBondContact O-N 3.13Å; R220-A223 WeakPolarHBondContact O-CB 3.46Å; R220-A223 PolarHBondContact O-N 2.79Å; A223-H226 PolarHBondContact O-N 3.29Å; A223-E227 VanDerWaalsContact O-CB 3.3Å; A223-E227 WeakPolarHBondContact O-CB 3.31Å; A223-E227 PolarHBondContact O-N 2.9Å
224N84.9Confident77.7Confident4 Ų458.7 Ų58.72%0.02130%0.3CS..Hα-helixtrans-61-46.6177-16536.3000112.2L86 Y87 F93 R220 M221 K222 H226 E227 H228L86-N224 HydrophobicContact CD2-CB 4.31Å; L86-N224 WeakPolarHBondContact CD2-ND2 3.2Å; L86-N224 WeakPolarHBondContact CG-ND2 3.23Å; Y87-N224 PolarHBondContact O-ND2 2.98Å; F93-N224 HydrophobicContact CD1-CB 4.23Å; F93-N224 PolarHBondContact O-ND2 3.09Å; R220-N224 WeakPolarHBondContact O-CB 3.45Å; R220-N224 PolarHBondContact O-N 3.49Å; M221-N224 WeakPolarHBondContact O-CB 3.43Å; M221-N224 PolarHBondContact O-N 3.41Å; K222-N224 VanDerWaalsContact C-N 3.31Å; K222-N224 PolarHBondContact O-N 3.26Å; N224-H226 VanDerWaalsContact C-N 3.3Å; N224-H226 PolarHBondContact O-N 3.46Å; N224-E227 PolarHBondContact O-N 3.23Å; N224-H228 PolarHBondContact O-CD2 3.3Å; N224-H228 VanDerWaalsContact O-CD2 3.3Å; N224-H228 PolarHBondContact O-N 3.27Å; N224-H228 VanDerWaalsContact O-N 3.09Å; N224-H228 PolarHBondContact OD1-CD2 3.01Å; N224-H228 VanDerWaalsContact OD1-CD2 3.24Å
225I85.9Confident78.6Confident27 Ų2755.4 Ų55.414%0.13827%0.272CS..Hα-helixtrans-59-43.8176.1-67.8160.5000110.7L86 P95 M221 K222 R229 L243L86-I225 HydrophobicContact CD2-CB 4.26Å; L86-I225 HydrophobicContact CD2-CG1 3.56Å; P95-I225 HydrophobicContact CG-CG1 4.46Å; M221-I225 HydrophobicContact CG-CD1 3.93Å; M221-I225 WeakPolarHBondContact O-CD1 3.46Å; M221-I225 VanDerWaalsContact O-CG1 3.23Å; M221-I225 WeakPolarHBondContact O-CG1 3.23Å; M221-I225 PolarHBondContact O-N 3.41Å; K222-I225 PolarHBondContact O-N 3.36Å; I225-R229 WeakPolarHBondContact O-CA 3.37Å; I225-R229 PolarHBondContact O-N 3.5Å; I225-L243 HydrophobicContact CD1-CD2 3.93Å; I225-L243 HydrophobicContact CG2-CD1 4Å; I225-L243 HydrophobicContact CG2-CD2 4.37Å
226H82.9Confident79.4Confident109 Ų10957.5 Ų57.551%0.50529%0.287SS..Hα-helixtrans-66.3-43.4-179.9-176.885.9000112.3K222 A223 N224 H228 R229K222-H226 WeakPolarHBondContact O-CB 3.46Å; K222-H226 PolarHBondContact O-N 3.13Å; A223-H226 PolarHBondContact O-N 3.29Å; N224-H226 VanDerWaalsContact C-N 3.3Å; N224-H226 PolarHBondContact O-N 3.46Å; H226-H228 VanDerWaalsContact C-N 3.28Å; H226-H228 PolarHBondContact O-N 3.37Å; H226-R229 PolarHBondContact CE1-NH1 3Å; H226-R229 WeakPolarHBondContact O-CB 3.23Å; H226-R229 VanDerWaalsContact O-CD 3.28Å; H226-R229 WeakPolarHBondContact O-CD 3.37Å; H226-R229 WeakPolarHBondContact O-CG 2.99Å; H226-R229 PolarHBondContact O-N 3.49Å
227E80.4Confident80Confident70 Ų7058.1 Ų58.133%0.32729%0.288SS..Hα-helixtrans-60.5-39.2179.4-179.2164.5-161.300112H193 A223 N224H193-E227 IonicContact CE1-OE1 3.75Å; H193-E227 PolarHBondContact CE1-OE1 3.06Å; H193-E227 IonicContact ND1-OE1 2.74Å; H193-E227 IonicContact NE2-OE1 3.18Å; H193-E227 PolarHBondContact NE2-OE1 3.26Å; A223-E227 VanDerWaalsContact O-CB 3.3Å; A223-E227 WeakPolarHBondContact O-CB 3.31Å; A223-E227 PolarHBondContact O-N 2.9Å; N224-E227 PolarHBondContact O-N 3.23Å
228H85.9Confident80.5Confident1 Ų161.8 Ų61.81%0.00531%0.307CS..THydrogen-bonded Turntrans-98.810.5-178.7-66.5-86.4000114E70 G71 Y72 L86 F192 N224 H226 L230 Q231E70-H228 IonicContact OE1-NE2 3.28Å; G71-H228 WeakPolarHBondContact CA-CE1 3.49Å; G71-H228 WeakPolarHBondContact CA-ND1 3.49Å; G71-H228 PolarHBondContact N-CE1 3.32Å; Y72-H228 HydrophobicContact CD2-CB 4.14Å; Y72-H228 HydrophobicContact CE2-CB 4.04Å; Y72-H228 WeakPolarHBondContact CE2-O 3.16Å; L86-H228 HydrophobicContact CD1-CB 3.79Å; F192-H228 AromaticContact CE1-CE1 3.67Å; N224-H228 PolarHBondContact O-CD2 3.3Å; N224-H228 VanDerWaalsContact O-CD2 3.3Å; N224-H228 PolarHBondContact O-N 3.27Å; N224-H228 VanDerWaalsContact O-N 3.09Å; N224-H228 PolarHBondContact OD1-CD2 3.01Å; N224-H228 VanDerWaalsContact OD1-CD2 3.24Å; H226-H228 VanDerWaalsContact C-N 3.28Å; H226-H228 PolarHBondContact O-N 3.37Å; H228-L230 PolarHBondContact O-N 3.45Å; H228-L230 VanDerWaalsContact O-N 3.08Å; H228-Q231 VanDerWaalsContact ND1-CD 3.35Å; H228-Q231 PolarHBondContact ND1-NE2 2.94Å; H228-Q231 PolarHBondContact ND1-OE1 3.08Å; H228-Q231 WeakPolarHBondContact O-CA 3.21Å; H228-Q231 WeakPolarHBondContact O-CB 3.39Å; H228-Q231 PolarHBondContact O-N 3.32Å
229R81.8Confident81.1Confident150 Ų15060.3 Ų60.357%0.56630%0.301SS*.G310 helixtrans-56.5-31-173.870.7-171.3168.9164.6-6.1114.8I225 H226 Q231 A232I225-R229 WeakPolarHBondContact O-CA 3.37Å; I225-R229 PolarHBondContact O-N 3.5Å; H226-R229 PolarHBondContact CE1-NH1 3Å; H226-R229 WeakPolarHBondContact O-CB 3.23Å; H226-R229 VanDerWaalsContact O-CD 3.28Å; H226-R229 WeakPolarHBondContact O-CD 3.37Å; H226-R229 WeakPolarHBondContact O-CG 2.99Å; H226-R229 PolarHBondContact O-N 3.49Å; R229-Q231 VanDerWaalsContact C-N 3.31Å; R229-A232 WeakPolarHBondContact O-CB 3.39Å; R229-A232 PolarHBondContact O-N 3.36Å
230L81.6Confident81.6Confident134 Ų13461.1 Ų61.170%0.70231%0.314SS*.G310 helixtrans-77.6-18.1178.2-61.7178000112.8H228 A232H228-L230 PolarHBondContact O-N 3.45Å; H228-L230 VanDerWaalsContact O-N 3.08Å; L230-A232 VanDerWaalsContact C-N 3.32Å
231Q81.7Confident81.5Confident22 Ų2260.5 Ų60.510%0.10331%0.313CS..G310 helixtrans-85-10.7177.1-59.5174.27.500111.6Y72 H228 R229 E233 T234Y72-Q231 HydrophobicContact CD2-CB 3.86Å; H228-Q231 VanDerWaalsContact ND1-CD 3.35Å; H228-Q231 PolarHBondContact ND1-NE2 2.94Å; H228-Q231 PolarHBondContact ND1-OE1 3.08Å; H228-Q231 WeakPolarHBondContact O-CA 3.21Å; H228-Q231 WeakPolarHBondContact O-CB 3.39Å; H228-Q231 PolarHBondContact O-N 3.32Å; R229-Q231 VanDerWaalsContact C-N 3.31Å; Q231-E233 PolarHBondContact O-N 2.86Å; Q231-E233 VanDerWaalsContact O-N 3.14Å; Q231-T234 WeakPolarHBondContact O-CB 3.44Å; Q231-T234 PolarHBondContact O-N 3.47Å; Q231-T234 PolarHBondContact O-OG1 3.34Å
232A75.9Confident81.4Confident22 Ų2259.9 Ų59.918%0.18231%0.31CS..G310 helixtrans-60.3-21.1177.400000113.5Y72 R229 L230 T234 V235 V239Y72-A232 HydrophobicContact CE2-CB 4.13Å; R229-A232 WeakPolarHBondContact O-CB 3.39Å; R229-A232 PolarHBondContact O-N 3.36Å; L230-A232 VanDerWaalsContact C-N 3.32Å; A232-T234 PolarHBondContact O-N 3.3Å; A232-V235 WeakPolarHBondContact O-CG2 3.5Å; A232-V239 HydrophobicContact CB-CB 4.09Å; A232-V239 HydrophobicContact CB-CG1 4.18Å; A232-V239 HydrophobicContact CB-CG2 3.82Å
233E76.3Confident81.5Confident178 Ų17858.8 Ų58.883%0.83231%0.307SS*.G310 helixtrans-72.5-14.4175-63.6178.9-177.200113.2Q231Q231-E233 PolarHBondContact O-N 2.86Å; Q231-E233 VanDerWaalsContact O-N 3.14Å
234T77Confident81.3Confident103 Ų10361.1 Ų61.163%0.63232%0.322SS*.G310 helixtrans-85.9-9.5-177.565.80000113.8Q231 A232Q231-T234 WeakPolarHBondContact O-CB 3.44Å; Q231-T234 PolarHBondContact O-N 3.47Å; Q231-T234 PolarHBondContact O-OG1 3.34Å; A232-T234 PolarHBondContact O-N 3.3Å
235V81.9Confident80.6Confident19 Ų1962.3 Ų62.312%0.11533%0.328CS..SBendtrans-98.7144177.6-660000110.9Y72 A232 W237 V239Y72-V235 HydrophobicContact CD1-CG1 3.85Å; Y72-V235 HydrophobicContact CD1-CG2 4.39Å; Y72-V235 HydrophobicContact CG-CG1 4.21Å; A232-V235 WeakPolarHBondContact O-CG2 3.5Å; V235-W237 HydrophobicContact CG2-CD2 4.24Å; V235-W237 HydrophobicContact CG2-CZ2 4.16Å; V235-W237 PolarHBondContact O-N 2.9Å; V235-W237 VanDerWaalsContact O-N 3.15Å; V235-V239 HydrophobicContact CG2-CG2 3.36Å
236D80.9Confident79.9Confident148 Ų14867.4 Ų67.479%0.79135%0.35SS*.SBendtrans-76.42.2-174.5-55.9-49.9000114.1Q84Q84-D236 PolarHBondContact NE2-OD2 3.25Å
237W84.2Confident78.9Confident26 Ų2663.7 Ų63.710%0.09834%0.341CS..SBendtrans-122.9155.1-175.256.7-93.2000112.5Y72 Q84 P95 V97 V235 V239 V242 F250Y72-W237 HydrophobicContact CD1-CZ2 4.42Å; Y72-W237 HydrophobicContact CE1-CH2 4.2Å; Y72-W237 HydrophobicContact CE1-CZ2 4.24Å; Q84-W237 VanDerWaalsContact CB-NE1 3.28Å; P95-W237 HydrophobicContact CB-CH2 3.97Å; P95-W237 HydrophobicContact CB-CZ3 4.31Å; P95-W237 HydrophobicContact CG-CH2 4.36Å; V97-W237 HydrophobicContact CG2-CB 4.39Å; V97-W237 HydrophobicContact CG2-CD2 3.69Å; V97-W237 HydrophobicContact CG2-CE3 3.92Å; V97-W237 HydrophobicContact CG2-CG 3.86Å; V97-W237 HydrophobicContact CG2-CZ3 4.48Å; V235-W237 HydrophobicContact CG2-CD2 4.24Å; V235-W237 HydrophobicContact CG2-CZ2 4.16Å; V235-W237 PolarHBondContact O-N 2.9Å; V235-W237 VanDerWaalsContact O-N 3.15Å; W237-V239 HydrophobicContact CE3-CG2 4.05Å; W237-V239 HydrophobicContact CH2-CB 4.45Å; W237-V239 HydrophobicContact CH2-CG1 4.47Å; W237-V239 HydrophobicContact CH2-CG2 3.85Å; W237-V239 HydrophobicContact CZ2-CG2 4.3Å; W237-V239 VanDerWaalsContact CZ3-CA 3.48Å; W237-V239 HydrophobicContact CZ3-CB 4.05Å; W237-V239 HydrophobicContact CZ3-CG1 4.36Å; W237-V239 HydrophobicContact CZ3-CG2 3.74Å; W237-V239 PolarHBondContact O-N 3.21Å; W237-V242 HydrophobicContact CE3-CG2 3.69Å; W237-V242 HydrophobicContact CZ3-CB 3.99Å; W237-V242 HydrophobicContact CZ3-CG2 3.43Å; W237-V242 VanDerWaalsContact CZ3-CG2 3.43Å; W237-F250 HydrophobicContact CB-CE1 4.08Å; W237-F250 HydrophobicContact CE3-CE1 4.44Å
238N82.8Confident78.1Confident87 Ų8768.2 Ų68.247%0.46537%0.367SS..  trans-7493.7-174.8-176.45.1000111.8A240 G241 V242N238-A240 VanDerWaalsContact C-N 3.28Å; N238-A240 PolarHBondContact O-N 3.32Å; N238-A240 WeakPolarHBondContact OD1-CB 3.35Å; N238-A240 PolarHBondContact OD1-N 3.02Å; N238-G241 VanDerWaalsContact CG-N 3.3Å; N238-G241 WeakPolarHBondContact O-CA 3.43Å; N238-G241 PolarHBondContact O-N 2.94Å; N238-G241 PolarHBondContact OD1-N 3.32Å; N238-V242 PolarHBondContact O-N 2.88Å
239V83.6Confident77.4Confident12 Ų1271.8 Ų71.87%0.07339%0.392CS..Hα-helixtrans-56.6-41.5176.4-177.10000112.2Y72 P95 A232 V235 W237 G241 V242 L243Y72-V239 HydrophobicContact CE1-CG1 4.3Å; Y72-V239 HydrophobicContact CE1-CG2 4.06Å; Y72-V239 VanDerWaalsContact OH-CG1 3.23Å; Y72-V239 WeakPolarHBondContact OH-CG1 3.47Å; P95-V239 HydrophobicContact CG-CG1 4.3Å; A232-V239 HydrophobicContact CB-CB 4.09Å; A232-V239 HydrophobicContact CB-CG1 4.18Å; A232-V239 HydrophobicContact CB-CG2 3.82Å; V235-V239 HydrophobicContact CG2-CG2 3.36Å; W237-V239 HydrophobicContact CE3-CG2 4.05Å; W237-V239 HydrophobicContact CH2-CB 4.45Å; W237-V239 HydrophobicContact CH2-CG1 4.47Å; W237-V239 HydrophobicContact CH2-CG2 3.85Å; W237-V239 HydrophobicContact CZ2-CG2 4.3Å; W237-V239 VanDerWaalsContact CZ3-CA 3.48Å; W237-V239 HydrophobicContact CZ3-CB 4.05Å; W237-V239 HydrophobicContact CZ3-CG1 4.36Å; W237-V239 HydrophobicContact CZ3-CG2 3.74Å; W237-V239 PolarHBondContact O-N 3.21Å; V239-G241 PolarHBondContact O-N 2.75Å; V239-V242 PolarHBondContact O-N 3.49Å; V239-L243 HydrophobicContact CG1-CD1 3.99Å; V239-L243 HydrophobicContact CG1-CG 4.35Å; V239-L243 WeakPolarHBondContact O-CG 3.48Å; V239-L243 PolarHBondContact O-N 3.09Å
240A80Confident77.4Confident61 Ų6166.4 Ų66.450%0.50437%0.373SS..Hα-helixtrans-65-29.6176.500000112N238 S244N238-A240 VanDerWaalsContact C-N 3.28Å; N238-A240 PolarHBondContact O-N 3.32Å; N238-A240 WeakPolarHBondContact OD1-CB 3.35Å; N238-A240 PolarHBondContact OD1-N 3.02Å; A240-S244 WeakPolarHBondContact O-CB 3.34Å; A240-S244 PolarHBondContact O-N 3.04Å; A240-S244 PolarHBondContact O-OG 3.02Å
241G79.1Confident77.5Confident2 Ų261.6 Ų61.62%0.02136%0.356CS..Hα-helixtrans-63.1-47.717300000112.4N238 V239 S244 L245 K246N238-G241 VanDerWaalsContact CG-N 3.3Å; N238-G241 WeakPolarHBondContact O-CA 3.43Å; N238-G241 PolarHBondContact O-N 2.94Å; N238-G241 PolarHBondContact OD1-N 3.32Å; V239-G241 PolarHBondContact O-N 2.75Å; G241-S244 CarbonylContact O-C 3.5Å; G241-S244 PolarHBondContact O-N 3.34Å; G241-S244 PolarHBondContact O-OG 3.39Å; G241-L245 PolarHBondContact O-N 3.47Å; G241-K246 PolarHBondContact O-N 3.45Å
242V82.9Confident77.8Confident0 Ų064.3 Ų64.30%038%0.376CS..Hα-helixtrans-66.1-42.1176.5-176.90000111.3P95 V107 G108 W237 N238 V239 L245 F250P95-V242 HydrophobicContact CB-CB 4.15Å; P95-V242 HydrophobicContact CB-CG1 3.7Å; V107-V242 HydrophobicContact CG1-CG1 4.43Å; V107-V242 HydrophobicContact CG1-CG2 3.63Å; G108-V242 WeakPolarHBondContact O-CG1 3.39Å; W237-V242 HydrophobicContact CE3-CG2 3.69Å; W237-V242 HydrophobicContact CZ3-CB 3.99Å; W237-V242 HydrophobicContact CZ3-CG2 3.43Å; W237-V242 VanDerWaalsContact CZ3-CG2 3.43Å; N238-V242 PolarHBondContact O-N 2.88Å; V239-V242 PolarHBondContact O-N 3.49Å; V242-L245 WeakPolarHBondContact O-CD2 3.49Å; V242-L245 PolarHBondContact O-N 3.47Å; V242-L245 VanDerWaalsContact O-N 3.1Å; V242-F250 HydrophobicContact CG2-CE1 4.13Å; V242-F250 HydrophobicContact CG2-CE2 4.11Å; V242-F250 HydrophobicContact CG2-CZ 3.49Å; V242-F250 VanDerWaalsContact CG2-CZ 3.49Å
243L81.3Confident78.5Confident43 Ų4367 Ų6723%0.22538%0.383CS..Hα-helixtrans-68.6-34.8177.9-66.7176.4000112.6P95 F147 I225 V239 L245P95-L243 HydrophobicContact CB-CD2 4.2Å; P95-L243 HydrophobicContact CG-CD2 4.06Å; F147-L243 WeakPolarHBondContact CZ-O 3.47Å; I225-L243 HydrophobicContact CD1-CD2 3.93Å; I225-L243 HydrophobicContact CG2-CD1 4Å; I225-L243 HydrophobicContact CG2-CD2 4.37Å; V239-L243 HydrophobicContact CG1-CD1 3.99Å; V239-L243 HydrophobicContact CG1-CG 4.35Å; V239-L243 WeakPolarHBondContact O-CG 3.48Å; V239-L243 PolarHBondContact O-N 3.09Å; L243-L245 PolarHBondContact O-N 3.41Å
244S75.8Confident79.1Confident66 Ų6658.6 Ų58.646%0.46234%0.344SS..THydrogen-bonded Turntrans-80.8-0.3172.362.10000113.4A240 G241 K246A240-S244 WeakPolarHBondContact O-CB 3.34Å; A240-S244 PolarHBondContact O-N 3.04Å; A240-S244 PolarHBondContact O-OG 3.02Å; G241-S244 CarbonylContact O-C 3.5Å; G241-S244 PolarHBondContact O-N 3.34Å; G241-S244 PolarHBondContact O-OG 3.39Å; S244-K246 VanDerWaalsContact C-N 3.28Å; S244-K246 PolarHBondContact O-N 3.26Å
245L71.4Confident79.7Confident28 Ų2856.6 Ų56.615%0.14733%0.333CS..THydrogen-bonded Turntrans54.542.5179.1-57.3164.1000112.3K117 C119 G241 V242 L243 A291K117-L245 HydrophobicContact CD-CD1 4.13Å; K117-L245 HydrophobicContact CD-CD2 4.28Å; K117-L245 VanDerWaalsContact CE-CD1 3.46Å; K117-L245 HydrophobicContact CG-CD2 4.36Å; K117-L245 VanDerWaalsContact NZ-CD1 3.32Å; C119-L245 VanDerWaalsContact O-O 3.08Å; G241-L245 PolarHBondContact O-N 3.47Å; V242-L245 WeakPolarHBondContact O-CD2 3.49Å; V242-L245 PolarHBondContact O-N 3.47Å; V242-L245 VanDerWaalsContact O-N 3.1Å; L243-L245 PolarHBondContact O-N 3.41Å; L245-A291 HydrophobicContact CB-CB 3.95Å; L245-A291 HydrophobicContact CD1-CB 4.46Å; L245-A291 VanDerWaalsContact CD1-O 3.25Å; L245-A291 WeakPolarHBondContact CD1-O 3.48Å
246K70.6Confident80.1Confident135 Ų13557.4 Ų57.459%0.58734%0.336SS*.  trans-108.1108.2175.3-67.2-174.5178.6-175.50109.5G241 S244G241-K246 PolarHBondContact O-N 3.45Å; S244-K246 VanDerWaalsContact C-N 3.28Å; S244-K246 PolarHBondContact O-N 3.26Å
247G61.6Low80.5Confident31 Ų3151 Ų5132%0.3230%0.301SS..  trans-79.1-12-177.600000115.5S249 F250G247-S249 PolarHBondContact O-N 3.36Å; G247-F250 PolarHBondContact O-N 3.35Å; G247-F250 VanDerWaalsContact O-N 3.11Å
248D64.1Low80.9Confident164 Ų16452.6 Ų52.688%0.87731%0.314SS*.THydrogen-bonded Turntrans-62.6-15.1-167.1-55.6-24.9000115.2
249S70Confident81.3Confident76 Ų7650.4 Ų50.453%0.53130%0.304SS..THydrogen-bonded Turntrans-98.84-179.159.60000114.9G247G247-S249 PolarHBondContact O-N 3.36Å
250F82.6Confident81.6Confident37 Ų3750 Ų5016%0.16230%0.301CS..SBendtrans-111167.6-174.7-61.9-86.4000112.5V97 V107 W237 V242 G247V97-F250 HydrophobicContact CG2-CD1 4.27Å; V97-F250 HydrophobicContact CG2-CE1 3.88Å; V107-F250 HydrophobicContact CG1-CD1 4.18Å; V107-F250 HydrophobicContact CG1-CD2 4.15Å; V107-F250 HydrophobicContact CG1-CE1 4.15Å; V107-F250 HydrophobicContact CG1-CE2 4.15Å; V107-F250 HydrophobicContact CG1-CG 4.18Å; V107-F250 HydrophobicContact CG1-CZ 4.17Å; V107-F250 HydrophobicContact CG2-CB 3.95Å; V107-F250 HydrophobicContact CG2-CD1 3.89Å; V107-F250 HydrophobicContact CG2-CG 3.89Å; W237-F250 HydrophobicContact CB-CE1 4.08Å; W237-F250 HydrophobicContact CE3-CE1 4.44Å; V242-F250 HydrophobicContact CG2-CE1 4.13Å; V242-F250 HydrophobicContact CG2-CE2 4.11Å; V242-F250 HydrophobicContact CG2-CZ 3.49Å; V242-F250 VanDerWaalsContact CG2-CZ 3.49Å; G247-F250 PolarHBondContact O-N 3.35Å; G247-F250 VanDerWaalsContact O-N 3.11Å
251G82.9Confident82.2Confident34 Ų3448.9 Ų48.935%0.35129%0.286SS..  trans-67.4178.6178.100000113.8
252P88.6Confident82.8Confident79 Ų7952 Ų5251%0.51330%0.302SS..SBendtrans-58.3145.4177.222.9-31.2000111.9N104 Q105 G254N104-P252 CarbonylContact C-O 3.54Å; N104-P252 VanDerWaalsContact CA-O 3.31Å; N104-P252 WeakPolarHBondContact CA-O 3.18Å; N104-P252 WeakPolarHBondContact OD1-CB 3.47Å; N104-P252 WeakPolarHBondContact OD1-CG 3.18Å; Q105-P252 PolarHBondContact N-O 3.08Å; P252-G254 PolarHBondContact O-N 3.44Å
253K90.1Very high83.2Confident78 Ų7852 Ų5234%0.33930%0.302SS..BIsolated β-bridgetrans-57.4131.6-175-63.7-177.1168.7174.80111.9Q105 E257 V258 E261Q105-K253 CarbonylContact O-C 3.58Å; K253-E257 HydrophobicContact CB-CB 4.39Å; K253-E257 HydrophobicContact CB-CG 4.27Å; K253-E257 HydrophobicContact CD-CG 4.13Å; K253-E257 WeakPolarHBondContact CE-OE1 3.46Å; K253-E257 HydrophobicContact CG-CG 4.2Å; K253-E257 WeakPolarHBondContact CG-OE1 3.24Å; K253-V258 HydrophobicContact CB-CG2 3.78Å; K253-E261 VanDerWaalsContact NZ-CD 3.28Å; K253-E261 IonicContact NZ-OE1 3.71Å; K253-E261 PolarHBondContact NZ-OE1 2.93Å; K253-E261 IonicContact NZ-OE2 3.41Å; K253-E261 PolarHBondContact NZ-OE2 3.25Å
254G89.6Confident83.7Confident1 Ų150 Ų501%0.0129%0.291CS..PPolyproline II helixtrans-73.6170.917400000113.6Q105 D106 P252 L256 E257 V258Q105-G254 PolarHBondContact O-N 3.17Å; D106-G254 WeakPolarHBondContact OD1-CA 3.48Å; P252-G254 PolarHBondContact O-N 3.44Å; G254-L256 VanDerWaalsContact C-N 3.33Å; G254-L256 PolarHBondContact O-N 2.88Å; G254-E257 PolarHBondContact O-N 3.03Å; G254-V258 VanDerWaalsContact O-CG2 3.28Å; G254-V258 WeakPolarHBondContact O-CG2 3.48Å; G254-V258 PolarHBondContact O-N 3.29Å
255P90.2Very high84.4Confident62 Ų6249.3 Ų49.340%0.40328%0.281SS..Hα-helixtrans-62.9-33.1-177.425.3-35.1000113.6Y100 T259Y100-P255 HydrophobicContact CE1-CG 3.87Å; Y100-P255 VanDerWaalsContact CE2-CD 3.44Å; Y100-P255 HydrophobicContact CE2-CG 3.91Å; Y100-P255 VanDerWaalsContact CZ-CG 3.5Å; Y100-P255 WeakPolarHBondContact OH-CG 3.48Å; P255-T259 VanDerWaalsContact O-CB 3.29Å; P255-T259 WeakPolarHBondContact O-CB 3.38Å; P255-T259 PolarHBondContact O-N 2.73Å; P255-T259 PolarHBondContact O-OG1 3.46Å
256L89.4Confident85.4Confident35 Ų3549.6 Ų49.618%0.18328%0.282CS..Hα-helixtrans-73.4-40.4178.6-63171.3000110.7L98 D106 W110 G254 T259 S260 A283L98-L256 HydrophobicContact CD2-CD1 4.38Å; D106-L256 PolarHBondContact OD1-N 3.18Å; D106-L256 VanDerWaalsContact OD1-N 3.11Å; D106-L256 VanDerWaalsContact OD2-CB 3.29Å; D106-L256 WeakPolarHBondContact OD2-CB 3.34Å; D106-L256 WeakPolarHBondContact OD2-CG 3.44Å; D106-L256 PolarHBondContact OD2-N 3.41Å; W110-L256 HydrophobicContact CH2-CD1 3.91Å; W110-L256 HydrophobicContact CZ3-CD1 4.1Å; G254-L256 VanDerWaalsContact C-N 3.33Å; G254-L256 PolarHBondContact O-N 2.88Å; L256-T259 PolarHBondContact O-N 3.26Å; L256-S260 VanDerWaalsContact O-CB 3.24Å; L256-S260 WeakPolarHBondContact O-CB 3.43Å; L256-S260 PolarHBondContact O-N 2.96Å; L256-S260 PolarHBondContact O-OG 3.35Å; L256-A283 HydrophobicContact CD2-CB 4.32Å
257E90.4Very high86.5Confident13 Ų1343.2 Ų43.26%0.06125%0.254CS..Hα-helixtrans-64-47.1176.5-175166.9157.400111.1D106 V107 L118 K253 G254 T259 S260 E261D106-E257 WeakPolarHBondContact OD1-CB 3.28Å; D106-E257 PolarHBondContact OD1-N 3.31Å; V107-E257 PolarHBondContact N-OE2 3.26Å; L118-E257 HydrophobicContact CD2-CG 4.25Å; K253-E257 HydrophobicContact CB-CB 4.39Å; K253-E257 HydrophobicContact CB-CG 4.27Å; K253-E257 HydrophobicContact CD-CG 4.13Å; K253-E257 WeakPolarHBondContact CE-OE1 3.46Å; K253-E257 HydrophobicContact CG-CG 4.2Å; K253-E257 WeakPolarHBondContact CG-OE1 3.24Å; G254-E257 PolarHBondContact O-N 3.03Å; E257-T259 PolarHBondContact O-N 3.32Å; E257-S260 PolarHBondContact O-N 3.08Å; E257-E261 WeakPolarHBondContact O-CB 3.25Å; E257-E261 PolarHBondContact O-N 3.15Å
258V91Very high87.8Confident61 Ų6142.8 Ų42.837%0.3724%0.243SC..Hα-helixtrans-61.1-45.8176.4172.50000111.5K253 G254 S260 E261 L262K253-V258 HydrophobicContact CB-CG2 3.78Å; G254-V258 VanDerWaalsContact O-CG2 3.28Å; G254-V258 WeakPolarHBondContact O-CG2 3.48Å; G254-V258 PolarHBondContact O-N 3.29Å; V258-S260 VanDerWaalsContact C-N 3.31Å; V258-S260 PolarHBondContact O-N 3.09Å; V258-E261 PolarHBondContact O-N 3.07Å; V258-L262 HydrophobicContact CG1-CD1 4.13Å; V258-L262 WeakPolarHBondContact O-CB 3.31Å; V258-L262 VanDerWaalsContact O-CG 3.3Å; V258-L262 WeakPolarHBondContact O-CG 3.28Å; V258-L262 PolarHBondContact O-N 2.73Å
259T91.4Very high89Confident40 Ų4041.6 Ų41.625%0.24523%0.226CC..Hα-helixtrans-66.6-35.5179.6-52.20000111.5P255 L256 E257 L262 L263 I278 V284P255-T259 VanDerWaalsContact O-CB 3.29Å; P255-T259 WeakPolarHBondContact O-CB 3.38Å; P255-T259 PolarHBondContact O-N 2.73Å; P255-T259 PolarHBondContact O-OG1 3.46Å; L256-T259 PolarHBondContact O-N 3.26Å; E257-T259 PolarHBondContact O-N 3.32Å; T259-L262 PolarHBondContact O-N 2.95Å; T259-L263 PolarHBondContact O-N 3.04Å; T259-I278 HydrophobicContact CG2-CG1 4.37Å; T259-I278 HydrophobicContact CG2-CG2 3.81Å; T259-V284 HydrophobicContact CG2-CG2 3.6Å
260S91.6Very high89.9Confident3 Ų339.2 Ų39.22%0.02121%0.214CC..Hα-helixtrans-66.8-42.5175.7-60.20000112L256 E257 V258 L263 L264L256-S260 VanDerWaalsContact O-CB 3.24Å; L256-S260 WeakPolarHBondContact O-CB 3.43Å; L256-S260 PolarHBondContact O-N 2.96Å; L256-S260 PolarHBondContact O-OG 3.35Å; E257-S260 PolarHBondContact O-N 3.08Å; V258-S260 VanDerWaalsContact C-N 3.31Å; V258-S260 PolarHBondContact O-N 3.09Å; S260-L263 WeakPolarHBondContact O-CB 3.32Å; S260-L263 PolarHBondContact O-N 3.11Å; S260-L264 WeakPolarHBondContact O-CG 3.5Å; S260-L264 PolarHBondContact O-N 2.87Å
261E90.9Very high90.4Very high39 Ų3941.2 Ų41.218%0.18222%0.223CC..Hα-helixtrans-63.8-42.3175.2-173.6173.8-167.900111.7L122 K253 E257 V258 L263 L264 Q265L122-E261 HydrophobicContact CD2-CG 4.01Å; K253-E261 VanDerWaalsContact NZ-CD 3.28Å; K253-E261 IonicContact NZ-OE1 3.71Å; K253-E261 PolarHBondContact NZ-OE1 2.93Å; K253-E261 IonicContact NZ-OE2 3.41Å; K253-E261 PolarHBondContact NZ-OE2 3.25Å; E257-E261 WeakPolarHBondContact O-CB 3.25Å; E257-E261 PolarHBondContact O-N 3.15Å; V258-E261 PolarHBondContact O-N 3.07Å; E261-L263 VanDerWaalsContact C-N 3.34Å; E261-L263 PolarHBondContact O-N 3.21Å; E261-L264 PolarHBondContact O-N 3.06Å; E261-Q265 WeakPolarHBondContact O-CG 3.37Å; E261-Q265 PolarHBondContact O-N 3.44Å
262L91.6Very high90.9Very high66 Ų6642.9 Ų42.935%0.34622%0.224SC..Hα-helixtrans-60.6-41.9174-73.2172.7000111.8V258 T259 L264 Q265 H266 I278V258-L262 HydrophobicContact CG1-CD1 4.13Å; V258-L262 WeakPolarHBondContact O-CB 3.31Å; V258-L262 VanDerWaalsContact O-CG 3.3Å; V258-L262 WeakPolarHBondContact O-CG 3.28Å; V258-L262 PolarHBondContact O-N 2.73Å; T259-L262 PolarHBondContact O-N 2.95Å; L262-L264 VanDerWaalsContact C-N 3.31Å; L262-L264 PolarHBondContact O-N 2.86Å; L262-Q265 PolarHBondContact O-N 3.12Å; L262-H266 WeakPolarHBondContact O-CB 3.38Å; L262-H266 PolarHBondContact O-CD2 3.23Å; L262-H266 VanDerWaalsContact O-CG 3.3Å; L262-H266 PolarHBondContact O-N 3.49Å; L262-I278 HydrophobicContact CB-CD1 4.27Å
263L92.6Very high91.2Very high0 Ų049.4 Ų49.40%024%0.238CC..Hα-helixtrans-56.8-46.4176.3179.862.6000111.3T259 S260 E261 S267 V275 I278 L279 V284 V288 A296T259-L263 PolarHBondContact O-N 3.04Å; S260-L263 WeakPolarHBondContact O-CB 3.32Å; S260-L263 PolarHBondContact O-N 3.11Å; E261-L263 VanDerWaalsContact C-N 3.34Å; E261-L263 PolarHBondContact O-N 3.21Å; L263-S267 VanDerWaalsContact O-CB 3.27Å; L263-S267 WeakPolarHBondContact O-CB 3.28Å; L263-S267 PolarHBondContact O-N 3.1Å; L263-S267 PolarHBondContact O-OG 3.38Å; L263-V275 HydrophobicContact CD1-CB 4.46Å; L263-V275 HydrophobicContact CD1-CG1 3.85Å; L263-I278 HydrophobicContact CB-CD1 4.3Å; L263-I278 HydrophobicContact CB-CG2 4.17Å; L263-I278 HydrophobicContact CD1-CB 4.31Å; L263-I278 HydrophobicContact CD1-CG2 4.08Å; L263-I278 HydrophobicContact CG-CG2 4.49Å; L263-L279 HydrophobicContact CD1-CD2 4.38Å; L263-L279 HydrophobicContact CD1-CG 4.47Å; L263-L279 HydrophobicContact CD2-CD2 4.35Å; L263-V284 HydrophobicContact CD2-CG1 3.68Å; L263-V288 HydrophobicContact CD2-CG1 3.93Å; L263-A296 HydrophobicContact CG-CB 4.31Å
264L91.4Very high91.3Very high2 Ų246.6 Ų46.61%0.0123%0.23CC..Hα-helixtrans-65.4-44.1179.5-63.7171.5000111.7L118 L122 S260 E261 L262 S267 F268 D290 A296L118-L264 HydrophobicContact CD1-CD1 4.4Å; L122-L264 HydrophobicContact CD1-CB 3.36Å; L122-L264 HydrophobicContact CD1-CD1 3.55Å; L122-L264 HydrophobicContact CD1-CG 4.02Å; S260-L264 WeakPolarHBondContact O-CG 3.5Å; S260-L264 PolarHBondContact O-N 2.87Å; E261-L264 PolarHBondContact O-N 3.06Å; L262-L264 VanDerWaalsContact C-N 3.31Å; L262-L264 PolarHBondContact O-N 2.86Å; L264-S267 PolarHBondContact O-N 3.43Å; L264-F268 PolarHBondContact O-N 3.46Å; L264-D290 HydrophobicContact CD1-CB 4.22Å; L264-A296 HydrophobicContact CD2-CB 3.98Å
265Q91Very high91.5Very high52 Ų5246.5 Ų46.524%0.24323%0.229CC..Hα-helixtrans-65.1-46.4178.2-70.91782.100112.6L122 E261 L262 S267 F268 R269L122-Q265 HydrophobicContact CD2-CG 3.63Å; E261-Q265 WeakPolarHBondContact O-CG 3.37Å; E261-Q265 PolarHBondContact O-N 3.44Å; L262-Q265 PolarHBondContact O-N 3.12Å; Q265-S267 VanDerWaalsContact C-N 3.28Å; Q265-S267 PolarHBondContact O-N 3.33Å; Q265-F268 WeakPolarHBondContact O-CB 3.46Å; Q265-F268 PolarHBondContact O-N 2.89Å; Q265-R269 WeakPolarHBondContact O-CG 3.14Å; Q265-R269 PolarHBondContact O-N 3.09Å
266H92.6Very high91.7Very high34 Ų3445 Ų4516%0.15722%0.22CC..Hα-helixtrans-65.2-34.5177.7-69.2-54.5000111.6L262 R269 G270 E271 A274 V275L262-H266 WeakPolarHBondContact O-CB 3.38Å; L262-H266 PolarHBondContact O-CD2 3.23Å; L262-H266 VanDerWaalsContact O-CG 3.3Å; L262-H266 PolarHBondContact O-N 3.49Å; H266-R269 PolarHBondContact O-N 3.08Å; H266-G270 PolarHBondContact O-N 3.49Å; H266-E271 HydrophobicContact CB-CB 4.18Å; H266-E271 IonicContact CE1-OE2 3.69Å; H266-E271 PolarHBondContact CE1-OE2 3.13Å; H266-E271 IonicContact CG-OE2 2.94Å; H266-E271 IonicContact ND1-OE1 3.63Å; H266-E271 IonicContact ND1-OE2 2.76Å; H266-E271 PolarHBondContact ND1-OE2 2.93Å; H266-E271 PolarHBondContact O-N 2.95Å; H266-A274 HydrophobicContact CB-CB 4.17Å; H266-V275 HydrophobicContact CB-CG2 3.83Å
267S92.4Very high91.8Very high0 Ų049.2 Ų49.20%024%0.239CC..Hα-helixtrans-66.5-41.8175-59.70000111.9L263 L264 Q265 G270 A300 N305L263-S267 VanDerWaalsContact O-CB 3.27Å; L263-S267 WeakPolarHBondContact O-CB 3.28Å; L263-S267 PolarHBondContact O-N 3.1Å; L263-S267 PolarHBondContact O-OG 3.38Å; L264-S267 PolarHBondContact O-N 3.43Å; Q265-S267 VanDerWaalsContact C-N 3.28Å; Q265-S267 PolarHBondContact O-N 3.33Å; S267-G270 PolarHBondContact O-N 2.81Å; S267-A300 WeakPolarHBondContact O-CA 3.46Å; S267-N305 PolarHBondContact O-ND2 3.23Å
268F88.9Confident91.9Very high22 Ų2249.4 Ų49.410%0.09624%0.24CC..Hα-helixtrans-61-43.8173.5-176.1-99.8000112.2E124 L264 Q265 G270 A299 V302 N303 N305E124-F268 HydrophobicContact CB-CE1 4.1Å; E124-F268 HydrophobicContact CB-CZ 4.18Å; E124-F268 WeakPolarHBondContact O-CE2 3.37Å; E124-F268 WeakPolarHBondContact OE2-CE1 3.44Å; L264-F268 PolarHBondContact O-N 3.46Å; Q265-F268 WeakPolarHBondContact O-CB 3.46Å; Q265-F268 PolarHBondContact O-N 2.89Å; F268-G270 VanDerWaalsContact C-N 3.33Å; F268-G270 PolarHBondContact O-N 3.23Å; F268-A299 HydrophobicContact CB-CB 4.26Å; F268-V302 HydrophobicContact CE2-CG1 4.13Å; F268-N303 WeakPolarHBondContact CD2-ND2 3.48Å; F268-N303 WeakPolarHBondContact CE1-ND2 3.26Å; F268-N303 VanDerWaalsContact CE2-ND2 3.29Å; F268-N303 WeakPolarHBondContact CE2-ND2 3.5Å; F268-N303 VanDerWaalsContact CZ-ND2 3.28Å; F268-N303 WeakPolarHBondContact CZ-ND2 3.37Å; F268-N303 PolarHBondContact O-ND2 3.03Å; F268-N305 PolarHBondContact O-ND2 2.72Å
269R89.4Confident91.8Very high139 Ų13948 Ų4853%0.52523%0.23SC..Hα-helixtrans-76.8-14.5179.6-67.3178.5-174.9172.74.6114.7Q265 H266 E271Q265-R269 WeakPolarHBondContact O-CG 3.14Å; Q265-R269 PolarHBondContact O-N 3.09Å; H266-R269 PolarHBondContact O-N 3.08Å; R269-E271 HydrophobicContact CB-CG 4.1Å; R269-E271 WeakPolarHBondContact CD-OE1 3.31Å
270G89.5Confident91.6Very high26 Ų2653.1 Ų53.127%0.26825%0.251SS..THydrogen-bonded Turntrans81.723.4-179.200000114.1H266 S267 F268 L272 N305H266-G270 PolarHBondContact O-N 3.49Å; S267-G270 PolarHBondContact O-N 2.81Å; F268-G270 VanDerWaalsContact C-N 3.33Å; F268-G270 PolarHBondContact O-N 3.23Å; G270-L272 PolarHBondContact O-N 2.98Å; G270-N305 VanDerWaalsContact CA-CG 3.44Å; G270-N305 VanDerWaalsContact CA-ND2 3.26Å; G270-N305 WeakPolarHBondContact CA-ND2 3.31Å; G270-N305 PolarHBondContact N-ND2 3.43Å; G270-N305 VanDerWaalsContact N-ND2 3.14Å
271E93.1Very high91.3Very high79 Ų7958.9 Ų58.937%0.36928%0.282SS..  trans-81.676-176.1-67.7179-156.200112H266 R269 R273 A274 V275H266-E271 HydrophobicContact CB-CB 4.18Å; H266-E271 IonicContact CE1-OE2 3.69Å; H266-E271 PolarHBondContact CE1-OE2 3.13Å; H266-E271 IonicContact CG-OE2 2.94Å; H266-E271 IonicContact ND1-OE1 3.63Å; H266-E271 IonicContact ND1-OE2 2.76Å; H266-E271 PolarHBondContact ND1-OE2 2.93Å; H266-E271 PolarHBondContact O-N 2.95Å; R269-E271 HydrophobicContact CB-CG 4.1Å; R269-E271 WeakPolarHBondContact CD-OE1 3.31Å; E271-R273 VanDerWaalsContact C-N 3.29Å; E271-R273 PolarHBondContact O-N 2.92Å; E271-R273 VanDerWaalsContact O-N 3.11Å; E271-A274 HydrophobicContact CB-CB 4.19Å; E271-A274 PolarHBondContact O-N 3.32Å; E271-A274 VanDerWaalsContact O-N 3.08Å; E271-V275 PolarHBondContact O-N 3.46Å; E271-V275 VanDerWaalsContact O-N 3.15Å
272L93.4Very high90.8Very high70 Ų7060 Ų6037%0.36630%0.304SS..Hα-helixtrans-49-42.8-173.6-175.568.4000114.7G270 S276 D307 V308 L311G270-L272 PolarHBondContact O-N 2.98Å; L272-S276 WeakPolarHBondContact O-CB 3.36Å; L272-S276 PolarHBondContact O-N 3.31Å; L272-D307 HydrophobicContact CD1-CB 4.16Å; L272-D307 WeakPolarHBondContact CD1-O 3.38Å; L272-D307 HydrophobicContact CD2-CB 4.24Å; L272-V308 HydrophobicContact CB-CG2 4.45Å; L272-V308 HydrophobicContact CD1-CG2 4.28Å; L272-L311 HydrophobicContact CD1-CB 4.02Å; L272-L311 HydrophobicContact CD1-CD2 3.7Å; L272-L311 HydrophobicContact CD1-CG 4.46Å
273R94.1Very high90.2Very high215 Ų21559.8 Ų59.881%0.81131%0.312SS*.Hα-helixtrans-67.5-40.5-177.6-67.2-177-176.61692112.4E271 S276 Q277E271-R273 VanDerWaalsContact C-N 3.29Å; E271-R273 PolarHBondContact O-N 2.92Å; E271-R273 VanDerWaalsContact O-N 3.11Å; R273-S276 PolarHBondContact O-N 3.02Å; R273-Q277 VanDerWaalsContact O-CG 3.32Å; R273-Q277 WeakPolarHBondContact O-CG 3.44Å; R273-Q277 PolarHBondContact O-N 3.29Å
274A93.4Very high89.9Confident19 Ų1960.2 Ų60.216%0.15731%0.314CS..Hα-helixtrans-67.7-44.6179.100000110.4H266 E271 S276 Q277 I278H266-A274 HydrophobicContact CB-CB 4.17Å; E271-A274 HydrophobicContact CB-CB 4.19Å; E271-A274 PolarHBondContact O-N 3.32Å; E271-A274 VanDerWaalsContact O-N 3.08Å; A274-S276 VanDerWaalsContact C-N 3.35Å; A274-S276 PolarHBondContact O-N 3.17Å; A274-Q277 PolarHBondContact O-N 2.9Å; A274-I278 WeakPolarHBondContact O-CG1 3.11Å; A274-I278 PolarHBondContact O-N 3.47Å
275V93.1Very high89.5Confident0 Ų063.3 Ų63.30%033%0.326CS..Hα-helixtrans-59.1-46.1175177.50000111L263 H266 E271 Q277 I278 L279 V308 L311 L312L263-V275 HydrophobicContact CD1-CB 4.46Å; L263-V275 HydrophobicContact CD1-CG1 3.85Å; H266-V275 HydrophobicContact CB-CG2 3.83Å; E271-V275 PolarHBondContact O-N 3.46Å; E271-V275 VanDerWaalsContact O-N 3.15Å; V275-Q277 VanDerWaalsContact C-N 3.35Å; V275-Q277 PolarHBondContact O-N 2.97Å; V275-I278 PolarHBondContact O-N 3.09Å; V275-L279 HydrophobicContact CG1-CD1 3.95Å; V275-L279 HydrophobicContact CG1-CG 4.39Å; V275-L279 WeakPolarHBondContact O-CG 3.3Å; V275-L279 PolarHBondContact O-N 2.96Å; V275-V308 HydrophobicContact CG1-CG1 4.36Å; V275-V308 HydrophobicContact CG2-CG1 4.26Å; V275-L311 HydrophobicContact CB-CD2 4.12Å; V275-L311 HydrophobicContact CG1-CD2 3.77Å; V275-L312 HydrophobicContact CG1-CD2 4.27Å
276S93.5Very high89.3Confident29 Ų2961.3 Ų61.320%0.20332%0.318CS..Hα-helixtrans-61.2-41.1178.9-173.30000112.7L272 R273 A274 L279 Q280L272-S276 WeakPolarHBondContact O-CB 3.36Å; L272-S276 PolarHBondContact O-N 3.31Å; R273-S276 PolarHBondContact O-N 3.02Å; A274-S276 VanDerWaalsContact C-N 3.35Å; A274-S276 PolarHBondContact O-N 3.17Å; S276-L279 PolarHBondContact O-N 3.08Å; S276-Q280 WeakPolarHBondContact O-CB 3.28Å; S276-Q280 VanDerWaalsContact O-CG 3.22Å; S276-Q280 WeakPolarHBondContact O-CG 3.37Å; S276-Q280 PolarHBondContact O-N 3.25Å; S276-Q280 PolarHBondContact OG-NE2 3.32Å
277Q92.3Very high89.1Confident124 Ų12460.3 Ų60.358%0.57931%0.314SS*.Hα-helixtrans-64.1-42.4176.4-74.2173.8-4.400112.2R273 A274 V275 Q280 N281R273-Q277 VanDerWaalsContact O-CG 3.32Å; R273-Q277 WeakPolarHBondContact O-CG 3.44Å; R273-Q277 PolarHBondContact O-N 3.29Å; A274-Q277 PolarHBondContact O-N 2.9Å; V275-Q277 VanDerWaalsContact C-N 3.35Å; V275-Q277 PolarHBondContact O-N 2.97Å; Q277-Q280 PolarHBondContact O-N 3.44Å; Q277-N281 PolarHBondContact O-N 2.93Å; Q277-N281 VanDerWaalsContact O-N 3.15Å; Q277-N281 PolarHBondContact O-ND2 3.01Å; Q277-N281 PolarHBondContact O-OD1 3.39Å
278I91.8Very high88.9Confident17 Ų1760.3 Ų60.39%0.08731%0.314CS..Hα-helixtrans-64.1-44.4179-66.7166.9000110.8T259 L262 L263 A274 V275 N281 V284T259-I278 HydrophobicContact CG2-CG1 4.37Å; T259-I278 HydrophobicContact CG2-CG2 3.81Å; L262-I278 HydrophobicContact CB-CD1 4.27Å; L263-I278 HydrophobicContact CB-CD1 4.3Å; L263-I278 HydrophobicContact CB-CG2 4.17Å; L263-I278 HydrophobicContact CD1-CB 4.31Å; L263-I278 HydrophobicContact CD1-CG2 4.08Å; L263-I278 HydrophobicContact CG-CG2 4.49Å; A274-I278 WeakPolarHBondContact O-CG1 3.11Å; A274-I278 PolarHBondContact O-N 3.47Å; V275-I278 PolarHBondContact O-N 3.09Å; I278-N281 PolarHBondContact O-N 3.13Å; I278-V284 HydrophobicContact CG2-CB 4.24Å; I278-V284 HydrophobicContact CG2-CG2 4.48Å
279L89.4Confident88.9Confident31 Ų3159.7 Ų59.716%0.16231%0.312CS..Hα-helixtrans-68.2-37.9179-65.5177.3000112.4L263 V275 S276 N281 G282 P286 L311 L312L263-L279 HydrophobicContact CD1-CD2 4.38Å; L263-L279 HydrophobicContact CD1-CG 4.47Å; L263-L279 HydrophobicContact CD2-CD2 4.35Å; V275-L279 HydrophobicContact CG1-CD1 3.95Å; V275-L279 HydrophobicContact CG1-CG 4.39Å; V275-L279 WeakPolarHBondContact O-CG 3.3Å; V275-L279 PolarHBondContact O-N 2.96Å; S276-L279 PolarHBondContact O-N 3.08Å; L279-N281 VanDerWaalsContact C-N 3.28Å; L279-N281 PolarHBondContact O-N 3.25Å; L279-G282 PolarHBondContact O-N 2.97Å; L279-G282 VanDerWaalsContact O-N 3.11Å; L279-P286 HydrophobicContact CD2-CB 4.39Å; L279-P286 HydrophobicContact CD2-CG 4Å; L279-L311 HydrophobicContact CD1-CD2 4.42Å; L279-L311 HydrophobicContact CD1-CG 4.12Å; L279-L312 HydrophobicContact CD1-CD2 4.17Å
280Q88.5Confident88.9Confident149 Ų14953.1 Ų53.170%0.69629%0.288SS*.Hα-helixtrans-65-30.4176-77.4175.45.700113.2S276 Q277 G282S276-Q280 WeakPolarHBondContact O-CB 3.28Å; S276-Q280 VanDerWaalsContact O-CG 3.22Å; S276-Q280 WeakPolarHBondContact O-CG 3.37Å; S276-Q280 PolarHBondContact O-N 3.25Å; S276-Q280 PolarHBondContact OG-NE2 3.32Å; Q277-Q280 PolarHBondContact O-N 3.44Å; Q280-G282 PolarHBondContact O-N 3.22Å
281N85.2Confident88.7Confident123 Ų12352.5 Ų52.566%0.65828%0.28SS*.THydrogen-bonded Turntrans-66.7-19.5175.4-68.9-17.4000112.5Q277 I278 L279 A283Q277-N281 PolarHBondContact O-N 2.93Å; Q277-N281 VanDerWaalsContact O-N 3.15Å; Q277-N281 PolarHBondContact O-ND2 3.01Å; Q277-N281 PolarHBondContact O-OD1 3.39Å; I278-N281 PolarHBondContact O-N 3.13Å; L279-N281 VanDerWaalsContact C-N 3.28Å; L279-N281 PolarHBondContact O-N 3.25Å; N281-A283 PolarHBondContact O-N 2.92Å
282G80.2Confident88.2Confident63 Ų6351.9 Ų51.965%0.64928%0.275SS*.THydrogen-bonded Turntrans66.84.6176.500000115.4L279 Q280L279-G282 PolarHBondContact O-N 2.97Å; L279-G282 VanDerWaalsContact O-N 3.11Å; Q280-G282 PolarHBondContact O-N 3.22Å
283A79.4Confident87.8Confident61 Ų6148.8 Ų48.850%0.50426%0.26SS..SBendtrans-78.9-30-177.200000113.1L256 N281L256-A283 HydrophobicContact CD2-CB 4.32Å; N281-A283 PolarHBondContact O-N 2.92Å
284V84.8Confident87.5Confident10 Ų1038.8 Ų38.86%0.06122%0.222CC..SBendtrans-117137-177.5178.70000109.5T259 L263 I278 V288T259-V284 HydrophobicContact CG2-CG2 3.6Å; L263-V284 HydrophobicContact CD2-CG1 3.68Å; I278-V284 HydrophobicContact CG2-CB 4.24Å; I278-V284 HydrophobicContact CG2-CG2 4.48Å; V284-V288 HydrophobicContact CG1-CB 4.26Å; V284-V288 HydrophobicContact CG1-CG1 3.82Å
285Y83.7Confident87.4Confident67 Ų6738 Ų3826%0.26322%0.215SC..  trans-83.9141.5178.9-166.7-108.8000111D287 V288Y285-D287 VanDerWaalsContact C-N 3.27Å; Y285-D287 HydrophobicContact CD1-CB 3.78Å; Y285-D287 HydrophobicContact CE1-CB 3.65Å; Y285-D287 VanDerWaalsContact CE1-OD2 3.23Å; Y285-D287 WeakPolarHBondContact CE1-OD2 3.45Å; Y285-D287 PolarHBondContact O-N 2.87Å; Y285-V288 WeakPolarHBondContact O-CB 3.43Å; Y285-V288 WeakPolarHBondContact O-CG1 3.45Å; Y285-V288 PolarHBondContact O-N 2.94Å; Y285-V288 VanDerWaalsContact O-N 3.13Å
286P87.5Confident87.4Confident9 Ų938 Ų386%0.05822%0.215CC..THydrogen-bonded Turntrans-57.7-34.5-178.2-23.230.7000114.5L279 V288 G315 A317L279-P286 HydrophobicContact CD2-CB 4.39Å; L279-P286 HydrophobicContact CD2-CG 4Å; P286-V288 PolarHBondContact O-N 3.39Å; P286-G315 WeakPolarHBondContact CG-O 3.38Å; P286-A317 HydrophobicContact CB-CB 3.79Å
287D87.9Confident87.4Confident13 Ų1336.7 Ų36.77%0.0721%0.206CC..THydrogen-bonded Turntrans-86.818.6-179.6-58.2-38.2000114Y285 A289 A317 D318Y285-D287 VanDerWaalsContact C-N 3.27Å; Y285-D287 HydrophobicContact CD1-CB 3.78Å; Y285-D287 HydrophobicContact CE1-CB 3.65Å; Y285-D287 VanDerWaalsContact CE1-OD2 3.23Å; Y285-D287 WeakPolarHBondContact CE1-OD2 3.45Å; Y285-D287 PolarHBondContact O-N 2.87Å; D287-A289 PolarHBondContact O-N 3.15Å; D287-A317 VanDerWaalsContact OD1-CA 3.25Å; D287-A317 WeakPolarHBondContact OD1-CA 3.37Å; D287-D318 PolarHBondContact OD1-N 3Å; D287-D318 PolarHBondContact OD2-N 3.24Å
288V88.2Confident87.4Confident0 Ų030.8 Ų30.80%018%0.178CC..  trans-58.3132.617269.30000109.6L118 L263 V284 Y285 P286L118-V288 HydrophobicContact CD2-CG2 4.21Å; L118-V288 HydrophobicContact CG-CG2 4.27Å; L263-V288 HydrophobicContact CD2-CG1 3.93Å; V284-V288 HydrophobicContact CG1-CB 4.26Å; V284-V288 HydrophobicContact CG1-CG1 3.82Å; Y285-V288 WeakPolarHBondContact O-CB 3.43Å; Y285-V288 WeakPolarHBondContact O-CG1 3.45Å; Y285-V288 PolarHBondContact O-N 2.94Å; Y285-V288 VanDerWaalsContact O-N 3.13Å; P286-V288 PolarHBondContact O-N 3.39Å
289A89.5Confident87.3Confident9 Ų930.5 Ų30.57%0.07418%0.178CC..BIsolated β-bridgetrans-121147.7-176.800000112.2L116 K117 L118 D287 Q294 T295L116-A289 PolarHBondContact O-N 3.06Å; K117-A289 WeakPolarHBondContact CA-O 3.29Å; K117-A289 HydrophobicContact CG-CB 4.48Å; L118-A289 PolarHBondContact N-O 3.21Å; D287-A289 PolarHBondContact O-N 3.15Å; A289-Q294 WeakPolarHBondContact CA-O 3.47Å; A289-T295 HydrophobicContact CB-CG2 4.21Å
290D88.9Confident87.5Confident1 Ų129 Ų291%0.00517%0.17CC..  trans-71.9-179.9170.585.9-17.7000112K117 L122 L264 R292 G293 Q294K117-D290 WeakPolarHBondContact CE-O 3.21Å; K117-D290 WeakPolarHBondContact CG-O 3.44Å; L122-D290 HydrophobicContact CD1-CB 4.4Å; L122-D290 PolarHBondContact N-OD2 2.9Å; L264-D290 HydrophobicContact CD1-CB 4.22Å; D290-R292 PolarHBondContact O-N 3.46Å; D290-R292 VanDerWaalsContact O-N 3.13Å; D290-R292 VanDerWaalsContact OD1-C 3.29Å; D290-R292 VanDerWaalsContact OD1-CA 3.25Å; D290-R292 WeakPolarHBondContact OD1-CA 3.31Å; D290-R292 WeakPolarHBondContact OD1-CB 3.48Å; D290-R292 PolarHBondContact OD1-N 2.98Å; D290-R292 IonicContact OD2-NE 3.85Å; D290-G293 PolarHBondContact O-N 3.46Å; D290-G293 PolarHBondContact OD1-N 3.48Å; D290-Q294 PolarHBondContact N-O 3.22Å; D290-Q294 VanDerWaalsContact N-O 3.07Å; D290-Q294 WeakPolarHBondContact OD1-CB 3.26Å; D290-Q294 PolarHBondContact OD1-N 2.84Å
291A85.4Confident87.6Confident13 Ų1322 Ų2211%0.10714%0.138CC..THydrogen-bonded Turntrans-56.3-29.8176.700000113.5K117 L118 S120 L245 G293 N324K117-A291 WeakPolarHBondContact CE-O 3.46Å; K117-A291 PolarHBondContact NZ-O 2.95Å; K117-A291 VanDerWaalsContact NZ-O 3.12Å; L118-A291 WeakPolarHBondContact O-CA 3.33Å; L118-A291 PolarHBondContact O-N 3.35Å; S120-A291 PolarHBondContact O-N 2.86Å; L245-A291 HydrophobicContact CB-CB 3.95Å; L245-A291 HydrophobicContact CD1-CB 4.46Å; L245-A291 VanDerWaalsContact CD1-O 3.25Å; L245-A291 WeakPolarHBondContact CD1-O 3.48Å; A291-G293 VanDerWaalsContact C-N 3.32Å; A291-N324 PolarHBondContact O-ND2 3.36Å
292R81.9Confident87.8Confident67 Ų6716.1 Ų16.125%0.25311%0.107SC..THydrogen-bonded Turntrans-84.5-1.9177-63-174.1-69.7173.2-5.7113.5L122 G125 D290 Q294 N324L122-R292 PolarHBondContact O-NH2 2.82Å; G125-R292 PolarHBondContact O-NH1 3.36Å; G125-R292 PolarHBondContact O-NH2 2.85Å; G125-R292 VanDerWaalsContact O-NH2 3.1Å; D290-R292 PolarHBondContact O-N 3.46Å; D290-R292 VanDerWaalsContact O-N 3.13Å; D290-R292 VanDerWaalsContact OD1-C 3.29Å; D290-R292 VanDerWaalsContact OD1-CA 3.25Å; D290-R292 WeakPolarHBondContact OD1-CA 3.31Å; D290-R292 WeakPolarHBondContact OD1-CB 3.48Å; D290-R292 PolarHBondContact OD1-N 2.98Å; D290-R292 IonicContact OD2-NE 3.85Å; R292-Q294 VanDerWaalsContact C-N 3.35Å; R292-Q294 HydrophobicContact CB-CG 4.11Å; R292-N324 VanDerWaalsContact CA-ND2 3.31Å; R292-N324 WeakPolarHBondContact CA-ND2 3.24Å; R292-N324 WeakPolarHBondContact O-CB 3.26Å; R292-N324 PolarHBondContact O-N 3.24Å; R292-N324 PolarHBondContact O-ND2 3.39Å; R292-N324 PolarHBondContact O-OD1 2.7Å
293G85.4Confident88.1Confident5 Ų514.7 Ų14.75%0.0528%0.084CC..  trans80.316.5-176.700000113.2D290 A291 T295 N323D290-G293 PolarHBondContact O-N 3.46Å; D290-G293 PolarHBondContact OD1-N 3.48Å; A291-G293 VanDerWaalsContact C-N 3.32Å; G293-T295 PolarHBondContact O-N 3.08Å; G293-N323 VanDerWaalsContact O-CA 3.3Å; G293-N323 WeakPolarHBondContact O-CA 3.41Å; G293-N323 WeakPolarHBondContact O-CB 3.17Å
294Q87.1Confident88.7Confident4 Ų412.3 Ų12.32%0.0196%0.063CC..  trans-76.1115.2176.9-60.1-73-38.900109.2F126 A289 D290 R292 N323F126-Q294 PolarHBondContact O-NE2 3.09Å; A289-Q294 WeakPolarHBondContact CA-O 3.47Å; D290-Q294 PolarHBondContact N-O 3.22Å; D290-Q294 VanDerWaalsContact N-O 3.07Å; D290-Q294 WeakPolarHBondContact OD1-CB 3.26Å; D290-Q294 PolarHBondContact OD1-N 2.84Å; R292-Q294 VanDerWaalsContact C-N 3.35Å; R292-Q294 HydrophobicContact CB-CG 4.11Å; Q294-N323 PolarHBondContact NE2-ND2 3.06Å
295T92.1Very high89Confident2 Ų213.5 Ų13.51%0.0127%0.069CC..BIsolated β-bridgetrans-86.7166176.162.50000111.4A289 G293 L297 I298 A299 K321A289-T295 HydrophobicContact CB-CG2 4.21Å; G293-T295 PolarHBondContact O-N 3.08Å; T295-L297 PolarHBondContact O-N 3.48Å; T295-I298 PolarHBondContact O-N 3.47Å; T295-I298 WeakPolarHBondContact OG1-CG1 3.42Å; T295-I298 PolarHBondContact OG1-N 3.35Å; T295-A299 PolarHBondContact O-N 3.35Å; T295-K321 HydrophobicContact CG2-CB 4.32Å; T295-K321 HydrophobicContact CG2-CG 3.81Å
296A92.3Very high89.5Confident0 Ų012.1 Ų12.10%07%0.067CC..Hα-helixtrans-58-35.7173.900000111.9L263 L264 A299 A300 L312L263-A296 HydrophobicContact CG-CB 4.31Å; L264-A296 HydrophobicContact CD2-CB 3.98Å; A296-A299 PolarHBondContact O-N 3.03Å; A296-A300 WeakPolarHBondContact O-CB 3.4Å; A296-A300 PolarHBondContact O-N 3.02Å; A296-L312 HydrophobicContact CB-CD1 3.93Å; A296-L312 HydrophobicContact CB-CD2 3.87Å
297L93.9Very high89.8Confident3 Ų317 Ų172%0.0169%0.093CC..Hα-helixtrans-65.9-46.1177.6-177.165.3000111.9T295 A299 A300 T301 I309 L312 L313 I319 A329T295-L297 PolarHBondContact O-N 3.48Å; L297-A299 VanDerWaalsContact C-N 3.33Å; L297-A299 PolarHBondContact O-N 3.1Å; L297-A300 PolarHBondContact O-N 3.31Å; L297-T301 WeakPolarHBondContact O-CB 3.4Å; L297-T301 PolarHBondContact O-N 2.69Å; L297-T301 PolarHBondContact O-OG1 3.2Å; L297-I309 HydrophobicContact CD1-CB 4.36Å; L297-I309 HydrophobicContact CD1-CG1 4.27Å; L297-I309 HydrophobicContact CD1-CG2 3.87Å; L297-L312 HydrophobicContact CB-CD1 4.49Å; L297-L313 HydrophobicContact CD1-CD2 4.21Å; L297-L313 HydrophobicContact CD1-CG 4.23Å; L297-L313 HydrophobicContact CD2-CD2 4.01Å; L297-I319 HydrophobicContact CD2-CG1 4.43Å; L297-A329 HydrophobicContact CD2-CB 4.05Å; L297-A329 HydrophobicContact CG-CB 3.96Å
298I91.8Very high90.1Very high0 Ų016.5 Ų16.50%09%0.09CC..Hα-helixtrans-62.7-44.3176-64.7170.9000109.8T295 A300 T301 V302 N323 A329 V332T295-I298 PolarHBondContact O-N 3.47Å; T295-I298 WeakPolarHBondContact OG1-CG1 3.42Å; T295-I298 PolarHBondContact OG1-N 3.35Å; I298-A300 PolarHBondContact O-N 3.41Å; I298-T301 WeakPolarHBondContact O-CB 3.5Å; I298-T301 PolarHBondContact O-N 2.95Å; I298-T301 VanDerWaalsContact O-N 3.11Å; I298-V302 WeakPolarHBondContact O-CG2 3.27Å; I298-V302 PolarHBondContact O-N 3.06Å; I298-V302 VanDerWaalsContact O-N 3.1Å; I298-N323 HydrophobicContact CD1-CB 4.02Å; I298-A329 HydrophobicContact CG1-CB 4.26Å; I298-V332 HydrophobicContact CG2-CG1 4.49Å; I298-V332 HydrophobicContact CG2-CG2 4.02Å
299A90.8Very high90.4Very high10 Ų1016.5 Ų16.58%0.0839%0.09CC..Hα-helixtrans-59.7-43.6178.100000112.9F268 T295 A296 L297 T301F268-A299 HydrophobicContact CB-CB 4.26Å; T295-A299 PolarHBondContact O-N 3.35Å; A296-A299 PolarHBondContact O-N 3.03Å; L297-A299 VanDerWaalsContact C-N 3.33Å; L297-A299 PolarHBondContact O-N 3.1Å; A299-T301 VanDerWaalsContact C-N 3.31Å; A299-T301 PolarHBondContact O-N 3.21Å
300A92.3Very high90.7Very high0 Ų018.9 Ų18.90%010%0.099CC..Hα-helixtrans-66-33.9175.100000112.5S267 A296 L297 I298 C304 N305 V308 I309 L312S267-A300 WeakPolarHBondContact O-CA 3.46Å; A296-A300 WeakPolarHBondContact O-CB 3.4Å; A296-A300 PolarHBondContact O-N 3.02Å; L297-A300 PolarHBondContact O-N 3.31Å; I298-A300 PolarHBondContact O-N 3.41Å; A300-C304 PolarHBondContact O-N 3.45Å; A300-N305 HydrophobicContact CB-CB 4.35Å; A300-N305 PolarHBondContact O-N 3.5Å; A300-V308 HydrophobicContact CB-CB 4.27Å; A300-V308 HydrophobicContact CB-CG1 3.89Å; A300-I309 HydrophobicContact CB-CG1 3.87Å; A300-L312 HydrophobicContact CB-CD1 4.26Å
301T92.1Very high90.9Very high1 Ų120.8 Ų20.81%0.00611%0.109CC..Hα-helixtrans-68.5-38.5-179.3-59.80000112.5L297 I298 A299 N303 C304 A329 C333 T418 L422L297-T301 WeakPolarHBondContact O-CB 3.4Å; L297-T301 PolarHBondContact O-N 2.69Å; L297-T301 PolarHBondContact O-OG1 3.2Å; I298-T301 WeakPolarHBondContact O-CB 3.5Å; I298-T301 PolarHBondContact O-N 2.95Å; I298-T301 VanDerWaalsContact O-N 3.11Å; A299-T301 VanDerWaalsContact C-N 3.31Å; A299-T301 PolarHBondContact O-N 3.21Å; T301-N303 VanDerWaalsContact C-N 3.25Å; T301-N303 PolarHBondContact O-N 3.28Å; T301-C304 PolarHBondContact O-N 3.35Å; T301-A329 HydrophobicContact CG2-CB 4.5Å; T301-A329 WeakPolarHBondContact CG2-O 3.46Å; T301-C333 HydrophobicContact CG2-CB 3.65Å; T301-T418 HydrophobicContact CG2-CG2 4.29Å; T301-L422 HydrophobicContact CG2-CD1 3.97Å
302V88.7Confident91.4Very high1 Ų120.1 Ų20.11%0.00610%0.104CC..Hα-helixtrans-54.2-42.6179.3172.40000112F126 F268 I298 V332 L336 L407F126-V302 HydrophobicContact CB-CG2 3.6Å; F126-V302 HydrophobicContact CD2-CG2 4.37Å; F126-V302 HydrophobicContact CG-CG2 4.21Å; F268-V302 HydrophobicContact CE2-CG1 4.13Å; I298-V302 WeakPolarHBondContact O-CG2 3.27Å; I298-V302 PolarHBondContact O-N 3.06Å; I298-V302 VanDerWaalsContact O-N 3.1Å; V302-V332 HydrophobicContact CG2-CG1 3.94Å; V302-L336 HydrophobicContact CB-CD1 4.45Å; V302-L336 HydrophobicContact CG1-CD1 4.34Å; V302-L336 HydrophobicContact CG2-CD1 4.45Å; V302-L407 HydrophobicContact CG1-CD2 3.82Å; V302-L407 HydrophobicContact CG1-CG 3.98Å
303N87.5Confident91.9Very high32 Ų3218.2 Ų18.217%0.17110%0.098CC..THydrogen-bonded Turntrans-97.56.3179.2-68-29.7000113.8F268 T301 N305F268-N303 WeakPolarHBondContact CD2-ND2 3.48Å; F268-N303 WeakPolarHBondContact CE1-ND2 3.26Å; F268-N303 VanDerWaalsContact CE2-ND2 3.29Å; F268-N303 WeakPolarHBondContact CE2-ND2 3.5Å; F268-N303 VanDerWaalsContact CZ-ND2 3.28Å; F268-N303 WeakPolarHBondContact CZ-ND2 3.37Å; F268-N303 PolarHBondContact O-ND2 3.03Å; T301-N303 VanDerWaalsContact C-N 3.25Å; T301-N303 PolarHBondContact O-N 3.28Å; N303-N305 PolarHBondContact O-N 3.49Å
304C90.8Very high92.2Very high11 Ų1123.4 Ų23.47%0.07413%0.125CC..THydrogen-bonded Turntrans58.940179-56.80000114.3A300 T301 N306 V414 R415 T418A300-C304 PolarHBondContact O-N 3.45Å; T301-C304 PolarHBondContact O-N 3.35Å; C304-N306 VanDerWaalsContact C-N 3.28Å; C304-N306 PolarHBondContact O-N 3.36Å; C304-V414 HydrophobicContact CB-CG1 3.65Å; C304-R415 WeakPolarHBondContact SG-CG 3.48Å; C304-T418 VanDerWaalsContact CB-OG1 3.26Å; C304-T418 WeakPolarHBondContact CB-OG1 3.41Å; C304-T418 PolarHBondContact SG-OG1 3.44Å
305N91.9Very high92.2Very high35 Ų3525.2 Ų25.219%0.18715%0.145CC..  trans-79.173.5178.9-64.7-36.5000111S267 F268 G270 A300 N303 D307 V308 I309S267-N305 PolarHBondContact O-ND2 3.23Å; F268-N305 PolarHBondContact O-ND2 2.72Å; G270-N305 VanDerWaalsContact CA-CG 3.44Å; G270-N305 VanDerWaalsContact CA-ND2 3.26Å; G270-N305 WeakPolarHBondContact CA-ND2 3.31Å; G270-N305 PolarHBondContact N-ND2 3.43Å; G270-N305 VanDerWaalsContact N-ND2 3.14Å; A300-N305 HydrophobicContact CB-CB 4.35Å; A300-N305 PolarHBondContact O-N 3.5Å; N303-N305 PolarHBondContact O-N 3.49Å; N305-D307 VanDerWaalsContact C-N 3.29Å; N305-D307 PolarHBondContact O-N 3.05Å; N305-V308 HydrophobicContact CB-CB 4.1Å; N305-V308 HydrophobicContact CB-CG2 4.23Å; N305-V308 PolarHBondContact O-N 3.38Å; N305-I309 WeakPolarHBondContact O-CG1 3.48Å; N305-I309 PolarHBondContact O-N 2.99Å
306N93.1Very high92Very high38 Ų3827.1 Ų27.120%0.20317%0.165CC..Hα-helixtrans-55.2-38.5-173-67.7-17.7000114C304 V308 I309 H310 T418 L421C304-N306 VanDerWaalsContact C-N 3.28Å; C304-N306 PolarHBondContact O-N 3.36Å; N306-V308 VanDerWaalsContact C-N 3.33Å; N306-V308 PolarHBondContact O-N 3.39Å; N306-I309 PolarHBondContact O-N 2.63Å; N306-H310 PolarHBondContact O-CD2 3.19Å; N306-H310 PolarHBondContact O-N 3.01Å; N306-T418 WeakPolarHBondContact OD1-CG2 3.45Å; N306-T418 PolarHBondContact OD1-OG1 3.29Å; N306-L421 HydrophobicContact CB-CD2 3.98Å
307D94.2Very high91.9Very high113 Ų11327.6 Ų27.660%0.60417%0.168SC*.Hα-helixtrans-65.2-37.5178.4-61.5-30.1000112.2L272 N305 L311L272-D307 HydrophobicContact CD1-CB 4.16Å; L272-D307 WeakPolarHBondContact CD1-O 3.38Å; L272-D307 HydrophobicContact CD2-CB 4.24Å; N305-D307 VanDerWaalsContact C-N 3.29Å; N305-D307 PolarHBondContact O-N 3.05Å; D307-L311 PolarHBondContact O-N 2.85Å; D307-L311 VanDerWaalsContact O-N 3.13Å
308V94.4Very high91.7Very high2 Ų230 Ų301%0.01218%0.181CC..Hα-helixtrans-72.3-40176.31760000110.4L272 V275 A300 N305 N306 H310 L311 L312L272-V308 HydrophobicContact CB-CG2 4.45Å; L272-V308 HydrophobicContact CD1-CG2 4.28Å; V275-V308 HydrophobicContact CG1-CG1 4.36Å; V275-V308 HydrophobicContact CG2-CG1 4.26Å; A300-V308 HydrophobicContact CB-CB 4.27Å; A300-V308 HydrophobicContact CB-CG1 3.89Å; N305-V308 HydrophobicContact CB-CB 4.1Å; N305-V308 HydrophobicContact CB-CG2 4.23Å; N305-V308 PolarHBondContact O-N 3.38Å; N306-V308 VanDerWaalsContact C-N 3.33Å; N306-V308 PolarHBondContact O-N 3.39Å; V308-H310 VanDerWaalsContact C-N 3.32Å; V308-H310 PolarHBondContact O-N 3.17Å; V308-L311 PolarHBondContact O-N 2.99Å; V308-L312 HydrophobicContact CG1-CD1 3.82Å; V308-L312 HydrophobicContact CG1-CG 4.21Å; V308-L312 WeakPolarHBondContact O-CB 3.47Å; V308-L312 WeakPolarHBondContact O-CG 3.37Å; V308-L312 PolarHBondContact O-N 2.86Å
309I94.9Very high91.7Very high0 Ų031 Ų310%019%0.186CC..Hα-helixtrans-57.7-47174.6-67.5168.7000110.1L297 A300 N305 N306 L311 L312 L313 T418 L421 L422L297-I309 HydrophobicContact CD1-CB 4.36Å; L297-I309 HydrophobicContact CD1-CG1 4.27Å; L297-I309 HydrophobicContact CD1-CG2 3.87Å; A300-I309 HydrophobicContact CB-CG1 3.87Å; N305-I309 WeakPolarHBondContact O-CG1 3.48Å; N305-I309 PolarHBondContact O-N 2.99Å; N306-I309 PolarHBondContact O-N 2.63Å; I309-L311 PolarHBondContact O-N 3.43Å; I309-L312 PolarHBondContact O-N 3.11Å; I309-L313 HydrophobicContact CG2-CD1 3.81Å; I309-L313 HydrophobicContact CG2-CG 4.4Å; I309-L313 WeakPolarHBondContact O-CB 3.38Å; I309-L313 VanDerWaalsContact O-CG 3.28Å; I309-L313 WeakPolarHBondContact O-CG 3.2Å; I309-L313 PolarHBondContact O-N 3.05Å; I309-T418 HydrophobicContact CD1-CG2 3.63Å; I309-L421 HydrophobicContact CB-CD2 4.24Å; I309-L421 HydrophobicContact CG2-CD2 3.86Å; I309-L422 HydrophobicContact CG2-CD2 4.07Å
310H94.8Very high91.6Very high58 Ų5832.2 Ų32.227%0.26919%0.192SC..Hα-helixtrans-54.9-51.6174.2-76.9-52.3000112N306 V308 L312 L313 D314 L421 R425N306-H310 PolarHBondContact O-CD2 3.19Å; N306-H310 PolarHBondContact O-N 3.01Å; V308-H310 VanDerWaalsContact C-N 3.32Å; V308-H310 PolarHBondContact O-N 3.17Å; H310-L312 VanDerWaalsContact C-N 3.35Å; H310-L312 PolarHBondContact O-N 3.43Å; H310-L313 PolarHBondContact O-N 3.28Å; H310-D314 VanDerWaalsContact O-CB 3.32Å; H310-D314 WeakPolarHBondContact O-CB 3.38Å; H310-D314 PolarHBondContact O-N 2.72Å; H310-D314 VanDerWaalsContact O-OD1 3.09Å; H310-L421 WeakPolarHBondContact CE1-CD1 3.28Å; H310-L421 WeakPolarHBondContact NE2-CD1 3.31Å; H310-R425 PolarHBondContact CE1-NH2 2.73Å; H310-R425 PolarHBondContact ND1-NH2 2.94Å
311L94.5Very high91.4Very high41 Ų4135 Ų3522%0.21520%0.204CC..Hα-helixtrans-61.6-40.1-178.9179.967.1000113L272 V275 L279 D307 V308 I309 G315L272-L311 HydrophobicContact CD1-CB 4.02Å; L272-L311 HydrophobicContact CD1-CD2 3.7Å; L272-L311 HydrophobicContact CD1-CG 4.46Å; V275-L311 HydrophobicContact CB-CD2 4.12Å; V275-L311 HydrophobicContact CG1-CD2 3.77Å; L279-L311 HydrophobicContact CD1-CD2 4.42Å; L279-L311 HydrophobicContact CD1-CG 4.12Å; D307-L311 PolarHBondContact O-N 2.85Å; D307-L311 VanDerWaalsContact O-N 3.13Å; V308-L311 PolarHBondContact O-N 2.99Å; I309-L311 PolarHBondContact O-N 3.43Å; L311-G315 PolarHBondContact O-N 2.85Å
312L94.1Very high91.2Very high0 Ų036.6 Ų36.60%021%0.211CC..Hα-helixtrans-67.1-45.7179.1-73.1168.4000111.5V275 L279 A296 L297 A300 V308 I309 H310 G315 G316 A317V275-L312 HydrophobicContact CG1-CD2 4.27Å; L279-L312 HydrophobicContact CD1-CD2 4.17Å; A296-L312 HydrophobicContact CB-CD1 3.93Å; A296-L312 HydrophobicContact CB-CD2 3.87Å; L297-L312 HydrophobicContact CB-CD1 4.49Å; A300-L312 HydrophobicContact CB-CD1 4.26Å; V308-L312 HydrophobicContact CG1-CD1 3.82Å; V308-L312 HydrophobicContact CG1-CG 4.21Å; V308-L312 WeakPolarHBondContact O-CB 3.47Å; V308-L312 WeakPolarHBondContact O-CG 3.37Å; V308-L312 PolarHBondContact O-N 2.86Å; I309-L312 PolarHBondContact O-N 3.11Å; H310-L312 VanDerWaalsContact C-N 3.35Å; H310-L312 PolarHBondContact O-N 3.43Å; L312-G315 CarbonylContact O-C 3.56Å; L312-G315 WeakPolarHBondContact O-CA 3.2Å; L312-G315 PolarHBondContact O-N 3.41Å; L312-G315 VanDerWaalsContact O-N 3.13Å; L312-G316 PolarHBondContact O-N 3.06Å; L312-A317 HydrophobicContact CB-CB 4.13Å; L312-A317 WeakPolarHBondContact O-CB 3.35Å; L312-A317 PolarHBondContact O-N 3.47Å
313L94.1Very high91.1Very high26 Ų2636.9 Ų36.914%0.13621%0.213CC..Hα-helixtrans-65.7-41.6177.6-66.9174.3000111.5L297 I309 H310 G315 G316 I319 R425L297-L313 HydrophobicContact CD1-CD2 4.21Å; L297-L313 HydrophobicContact CD1-CG 4.23Å; L297-L313 HydrophobicContact CD2-CD2 4.01Å; I309-L313 HydrophobicContact CG2-CD1 3.81Å; I309-L313 HydrophobicContact CG2-CG 4.4Å; I309-L313 WeakPolarHBondContact O-CB 3.38Å; I309-L313 VanDerWaalsContact O-CG 3.28Å; I309-L313 WeakPolarHBondContact O-CG 3.2Å; I309-L313 PolarHBondContact O-N 3.05Å; H310-L313 PolarHBondContact O-N 3.28Å; L313-G315 PolarHBondContact O-N 3.03Å; L313-G316 PolarHBondContact O-N 2.77Å; L313-I319 HydrophobicContact CD1-CD1 4.13Å; L313-I319 HydrophobicContact CD2-CB 3.83Å; L313-I319 HydrophobicContact CD2-CD1 4.06Å; L313-I319 HydrophobicContact CD2-CG1 4Å; L313-R425 HydrophobicContact CD1-CB 3.82Å; L313-R425 HydrophobicContact CD1-CG 3.77Å
314D91.6Very high90.9Very high115 Ų11538.2 Ų38.262%0.61522%0.22SC*.Hα-helixtrans-65.7-25.3174.6-62.50.7000111.3H310 G316 R425H310-D314 VanDerWaalsContact O-CB 3.32Å; H310-D314 WeakPolarHBondContact O-CB 3.38Å; H310-D314 PolarHBondContact O-N 2.72Å; H310-D314 VanDerWaalsContact O-OD1 3.09Å; D314-G316 VanDerWaalsContact C-N 3.28Å; D314-R425 IonicContact OD1-CZ 3.65Å; D314-R425 IonicContact OD1-NH1 2.67Å; D314-R425 PolarHBondContact OD1-NH1 2.66Å; D314-R425 IonicContact OD1-NH2 3.14Å; D314-R425 PolarHBondContact OD1-NH2 2.9Å
315G87.1Confident90.5Very high42 Ų4239.6 Ų39.643%0.43323%0.226SC..THydrogen-bonded Turntrans-79.2-1.7171.900000115P286 L311 L312 L313P286-G315 WeakPolarHBondContact CG-O 3.38Å; L311-G315 PolarHBondContact O-N 2.85Å; L312-G315 CarbonylContact O-C 3.56Å; L312-G315 WeakPolarHBondContact O-CA 3.2Å; L312-G315 PolarHBondContact O-N 3.41Å; L312-G315 VanDerWaalsContact O-N 3.13Å; L313-G315 PolarHBondContact O-N 3.03Å
316G87.4Confident90.1Very high42 Ų4238.1 Ų38.143%0.43322%0.219SC..THydrogen-bonded Turntrans88.622.617900000114.9L312 L313 D314L312-G316 PolarHBondContact O-N 3.06Å; L313-G316 PolarHBondContact O-N 2.77Å; D314-G316 VanDerWaalsContact C-N 3.28Å
317A90.6Very high89.8Confident9 Ų936.3 Ų36.37%0.07421%0.209CC..  trans-64.6135.4169.700000111P286 D287 L312 I319P286-A317 HydrophobicContact CB-CB 3.79Å; D287-A317 VanDerWaalsContact OD1-CA 3.25Å; D287-A317 WeakPolarHBondContact OD1-CA 3.37Å; L312-A317 HydrophobicContact CB-CB 4.13Å; L312-A317 WeakPolarHBondContact O-CB 3.35Å; L312-A317 PolarHBondContact O-N 3.47Å; A317-I319 PolarHBondContact O-N 3.13Å
318D88.4Confident89.7Confident54 Ų5430.9 Ų30.929%0.28918%0.18SC..  trans-70.6115.6173.6174.89.1000110D287 D320 K321D287-D318 PolarHBondContact OD1-N 3Å; D287-D318 PolarHBondContact OD2-N 3.24Å; D318-D320 VanDerWaalsContact C-N 3.28Å; D318-D320 PolarHBondContact O-N 2.73Å; D318-D320 PolarHBondContact OD1-N 3.1Å; D318-K321 HydrophobicContact CB-CB 4.1Å; D318-K321 WeakPolarHBondContact O-CB 3.35Å; D318-K321 PolarHBondContact O-N 3.4Å; D318-K321 PolarHBondContact OD1-N 2.83Å
319I91.6Very high89.7Confident20 Ų2030.8 Ų30.810%0.10318%0.18CC..THydrogen-bonded Turntrans-67.8-28.9-176.3-165.9161.2000113L297 L313 A317 L422 R425 A427L297-I319 HydrophobicContact CD2-CG1 4.43Å; L313-I319 HydrophobicContact CD1-CD1 4.13Å; L313-I319 HydrophobicContact CD2-CB 3.83Å; L313-I319 HydrophobicContact CD2-CD1 4.06Å; L313-I319 HydrophobicContact CD2-CG1 4Å; A317-I319 PolarHBondContact O-N 3.13Å; I319-L422 HydrophobicContact CD1-CD2 4.37Å; I319-L422 WeakPolarHBondContact CD1-O 3.09Å; I319-L422 HydrophobicContact CG1-CD2 4.42Å; I319-R425 HydrophobicContact CD1-CB 3.73Å; I319-A427 HydrophobicContact CD1-CB 3.72Å; I319-A427 HydrophobicContact CG1-CB 3.8Å
320D90.3Very high89.6Confident37 Ų3730.9 Ų30.920%0.19818%0.18CC..THydrogen-bonded Turntrans-100.76.9-174.6-67.2-40.1000112.4D318 M322 D428 C431D318-D320 VanDerWaalsContact C-N 3.28Å; D318-D320 PolarHBondContact O-N 2.73Å; D318-D320 PolarHBondContact OD1-N 3.1Å; D320-M322 PolarHBondContact O-N 3.03Å; D320-M322 VanDerWaalsContact O-N 3.1Å; D320-D428 PolarHBondContact OD1-N 3Å; D320-D428 WeakPolarHBondContact OD2-CB 3.43Å; D320-D428 PolarHBondContact OD2-N 2.83Å; D320-C431 HydrophobicContact CB-CB 4.2Å
321K87.8Confident89.5Confident59 Ų5928.2 Ų28.226%0.25717%0.168SC..  trans-58.7117.5177.7-16364.2164.2-162.20111T295 D318T295-K321 HydrophobicContact CG2-CB 4.32Å; T295-K321 HydrophobicContact CG2-CG 3.81Å; D318-K321 HydrophobicContact CB-CB 4.1Å; D318-K321 WeakPolarHBondContact O-CB 3.35Å; D318-K321 PolarHBondContact O-N 3.4Å; D318-K321 PolarHBondContact OD1-N 2.83Å
322M86.9Confident89.3Confident33 Ų3326.2 Ų26.216%0.16316%0.158CC..  trans-91.8145.4179.8-61.1-168.8-58.600112.6S150 D320 M327S150-M322 WeakPolarHBondContact OG-CE 3.48Å; D320-M322 PolarHBondContact O-N 3.03Å; D320-M322 VanDerWaalsContact O-N 3.1Å; M322-M327 VanDerWaalsContact CA-O 3.32Å; M322-M327 WeakPolarHBondContact CA-O 3.32Å
323N86.9Confident89.2Confident8 Ų826.3 Ų26.34%0.04316%0.158CC..  trans-74.1178.316970.54.8000112.2G293 Q294 I298 E325 G326 M327G293-N323 VanDerWaalsContact O-CA 3.3Å; G293-N323 WeakPolarHBondContact O-CA 3.41Å; G293-N323 WeakPolarHBondContact O-CB 3.17Å; Q294-N323 PolarHBondContact NE2-ND2 3.06Å; I298-N323 HydrophobicContact CD1-CB 4.02Å; N323-E325 PolarHBondContact O-N 3.09Å; N323-E325 WeakPolarHBondContact OD1-CA 3.28Å; N323-E325 WeakPolarHBondContact OD1-CB 2.95Å; N323-E325 PolarHBondContact OD1-N 3.33Å; N323-G326 PolarHBondContact O-N 2.84Å; N323-G326 PolarHBondContact OD1-N 2.95Å; N323-M327 PolarHBondContact N-O 3.38Å; N323-M327 PolarHBondContact OD1-N 2.84Å; N323-M327 PolarHBondContact OD1-O 3.14Å
324N82.6Confident89Confident60 Ų6025.1 Ų25.132%0.32115%0.152SC..THydrogen-bonded Turntrans-64.7-20.5179.1-61.3-10.7000113.2K117 A291 R292 G326K117-N324 PolarHBondContact NZ-ND2 3.01Å; K117-N324 PolarHBondContact NZ-OD1 3.18Å; A291-N324 PolarHBondContact O-ND2 3.36Å; R292-N324 VanDerWaalsContact CA-ND2 3.31Å; R292-N324 WeakPolarHBondContact CA-ND2 3.24Å; R292-N324 WeakPolarHBondContact O-CB 3.26Å; R292-N324 PolarHBondContact O-N 3.24Å; R292-N324 PolarHBondContact O-ND2 3.39Å; R292-N324 PolarHBondContact O-OD1 2.7Å; N324-G326 VanDerWaalsContact C-N 3.26Å
325E82.7Confident88.9Confident39 Ų3919.8 Ų19.818%0.18212%0.124CC..THydrogen-bonded Turntrans-80-9.4175.5-59.7177.617000111.7S127 L128 N323 M327 V434S127-E325 WeakPolarHBondContact CB-OE1 3.32Å; S127-E325 PolarHBondContact OG-OE1 3.3Å; L128-E325 PolarHBondContact N-OE1 2.91Å; L128-E325 PolarHBondContact N-OE2 2.89Å; N323-E325 PolarHBondContact O-N 3.09Å; N323-E325 WeakPolarHBondContact OD1-CA 3.28Å; N323-E325 WeakPolarHBondContact OD1-CB 2.95Å; N323-E325 PolarHBondContact OD1-N 3.33Å; E325-M327 HydrophobicContact CB-CE 3.69Å; E325-M327 HydrophobicContact CG-CE 4.42Å; E325-M327 WeakPolarHBondContact OE2-CE 3.45Å; E325-V434 WeakPolarHBondContact O-CB 3.43Å; E325-V434 VanDerWaalsContact O-CG2 3.31Å; E325-V434 WeakPolarHBondContact O-CG2 3.3Å
326G84.3Confident89Confident4 Ų418.3 Ų18.34%0.04111%0.106CC..SBendtrans84.429.6179.300000114.1N323 N324 R433N323-G326 PolarHBondContact O-N 2.84Å; N323-G326 PolarHBondContact OD1-N 2.95Å; N324-G326 VanDerWaalsContact C-N 3.26Å; G326-R433 PolarHBondContact O-N 2.79Å
327M87.5Confident89Confident0 Ų018.4 Ų18.40%09%0.093CC..BIsolated β-bridgetrans-113.8129177.4-70.1-178.5-74.800111.4F126 L128 M322 N323 E325 A331 V332 V434F126-M327 HydrophobicContact CD1-CE 4.3Å; F126-M327 HydrophobicContact CE1-CE 3.57Å; F126-M327 HydrophobicContact CE1-SD 3.93Å; L128-M327 HydrophobicContact CB-CE 3.93Å; L128-M327 HydrophobicContact CD1-CE 4.27Å; L128-M327 HydrophobicContact CD1-SD 4.09Å; L128-M327 HydrophobicContact CG-CE 4.5Å; M322-M327 VanDerWaalsContact CA-O 3.32Å; M322-M327 WeakPolarHBondContact CA-O 3.32Å; N323-M327 PolarHBondContact N-O 3.38Å; N323-M327 PolarHBondContact OD1-N 2.84Å; N323-M327 PolarHBondContact OD1-O 3.14Å; E325-M327 HydrophobicContact CB-CE 3.69Å; E325-M327 HydrophobicContact CG-CE 4.42Å; E325-M327 WeakPolarHBondContact OE2-CE 3.45Å; M327-A331 HydrophobicContact CB-CB 3.98Å; M327-A331 HydrophobicContact CG-CB 4.18Å; M327-V332 HydrophobicContact CB-CG2 3.95Å; M327-V332 HydrophobicContact SD-CG2 4.43Å; M327-V434 WeakPolarHBondContact CG-O 3.38Å
328S92.2Very high88.9Confident0 Ų018.4 Ų18.40%09%0.091CC..  trans-76.8171165.760.10000111.5L330 A331 V332 C431S328-L330 PolarHBondContact O-N 3.36Å; S328-A331 PolarHBondContact O-N 2.9Å; S328-A331 VanDerWaalsContact O-N 3.15Å; S328-A331 PolarHBondContact OG-N 3.03Å; S328-V332 WeakPolarHBondContact O-CG2 3.26Å; S328-V332 PolarHBondContact O-N 2.88Å; S328-C431 VanDerWaalsContact CB-O 3.29Å; S328-C431 WeakPolarHBondContact CB-O 3.43Å; S328-C431 PolarHBondContact OG-O 3.16Å
329A92.8Very high88.7Confident0 Ų019.2 Ų19.20%010%0.099CC..Hα-helixtrans-55.6-40.6172.600000112L297 I298 T301 V332 C333 L422L297-A329 HydrophobicContact CD2-CB 4.05Å; L297-A329 HydrophobicContact CG-CB 3.96Å; I298-A329 HydrophobicContact CG1-CB 4.26Å; T301-A329 HydrophobicContact CG2-CB 4.5Å; T301-A329 WeakPolarHBondContact CG2-O 3.46Å; A329-V332 PolarHBondContact O-N 3.11Å; A329-C333 WeakPolarHBondContact O-CB 3.35Å; A329-C333 PolarHBondContact O-N 3.05Å; A329-L422 HydrophobicContact CB-CD1 4.28Å; A329-L422 HydrophobicContact CB-CD2 4.39Å
330L93.8Very high88.1Confident1 Ų120.1 Ų20.11%0.00510%0.103CC..Hα-helixtrans-62.7-44.6176.3179.365000111.9S328 C333 N334 L419 L422 L423 A427 P429 V438S328-L330 PolarHBondContact O-N 3.36Å; L330-C333 PolarHBondContact O-N 3.11Å; L330-N334 WeakPolarHBondContact O-CB 3.35Å; L330-N334 PolarHBondContact O-N 3.3Å; L330-L419 HydrophobicContact CD1-CG 4.11Å; L330-L422 HydrophobicContact CB-CD1 4.49Å; L330-L422 HydrophobicContact CD1-CB 4.29Å; L330-L423 HydrophobicContact CD1-CD2 3.97Å; L330-L423 HydrophobicContact CD1-CG 3.99Å; L330-L423 HydrophobicContact CD2-CD2 3.6Å; L330-L423 HydrophobicContact CG-CD2 4.45Å; L330-A427 HydrophobicContact CB-CB 4.2Å; L330-A427 HydrophobicContact CD2-CB 4.05Å; L330-P429 HydrophobicContact CD2-CB 4.36Å; L330-V438 HydrophobicContact CD2-CG1 4.35Å; L330-V438 HydrophobicContact CG-CG1 4.24Å
331A91.6Very high87.5Confident2 Ų227.4 Ų27.42%0.01714%0.135CC..Hα-helixtrans-61.8-44.4177.700000112.2M327 S328 N334 V335 C432 V438M327-A331 HydrophobicContact CB-CB 3.98Å; M327-A331 HydrophobicContact CG-CB 4.18Å; S328-A331 PolarHBondContact O-N 2.9Å; S328-A331 VanDerWaalsContact O-N 3.15Å; S328-A331 PolarHBondContact OG-N 3.03Å; A331-N334 PolarHBondContact O-N 2.92Å; A331-V335 WeakPolarHBondContact O-CG2 3.39Å; A331-V335 PolarHBondContact O-N 3.43Å; A331-C432 HydrophobicContact CB-CB 3.83Å; A331-C432 VanDerWaalsContact CB-SG 3.55Å; A331-V438 HydrophobicContact CB-CG2 4.23Å
332V91.1Very high87.1Confident0 Ų026.8 Ų26.80%014%0.139CC..Hα-helixtrans-61-46.3175.9173.70000110.8F126 I298 V302 M327 S328 A329 N334 V335 L336F126-V332 HydrophobicContact CD1-CB 4.45Å; F126-V332 HydrophobicContact CD1-CG1 3.83Å; F126-V332 HydrophobicContact CD1-CG2 3.8Å; F126-V332 HydrophobicContact CD2-CG1 4Å; F126-V332 HydrophobicContact CE1-CB 4.26Å; F126-V332 HydrophobicContact CE1-CG1 3.89Å; F126-V332 HydrophobicContact CE1-CG2 3.7Å; F126-V332 HydrophobicContact CE2-CG1 4.06Å; F126-V332 HydrophobicContact CG-CG1 3.89Å; F126-V332 HydrophobicContact CZ-CG1 4.02Å; F126-V332 HydrophobicContact CZ-CG2 4.47Å; I298-V332 HydrophobicContact CG2-CG1 4.49Å; I298-V332 HydrophobicContact CG2-CG2 4.02Å; V302-V332 HydrophobicContact CG2-CG1 3.94Å; M327-V332 HydrophobicContact CB-CG2 3.95Å; M327-V332 HydrophobicContact SD-CG2 4.43Å; S328-V332 WeakPolarHBondContact O-CG2 3.26Å; S328-V332 PolarHBondContact O-N 2.88Å; A329-V332 PolarHBondContact O-N 3.11Å; V332-N334 VanDerWaalsContact C-N 3.27Å; V332-N334 PolarHBondContact O-N 3.33Å; V332-V335 PolarHBondContact O-N 3.49Å; V332-L336 HydrophobicContact CG1-CD1 3.9Å; V332-L336 HydrophobicContact CG1-CG 4.5Å; V332-L336 WeakPolarHBondContact O-CB 3.49Å; V332-L336 VanDerWaalsContact O-CG 3.3Å; V332-L336 WeakPolarHBondContact O-CG 3.38Å; V332-L336 PolarHBondContact O-N 3Å
333C91.6Very high86.9Confident1 Ų126.4 Ų26.41%0.00714%0.137CC..Hα-helixtrans-61.2-38.5177.4-166.50000111.9T301 A329 L330 L336 Y337 L422T301-C333 HydrophobicContact CG2-CB 3.65Å; A329-C333 WeakPolarHBondContact O-CB 3.35Å; A329-C333 PolarHBondContact O-N 3.05Å; L330-C333 PolarHBondContact O-N 3.11Å; C333-L336 PolarHBondContact O-N 3.01Å; C333-Y337 VanDerWaalsContact O-CB 3.27Å; C333-Y337 WeakPolarHBondContact O-CB 3.05Å; C333-Y337 PolarHBondContact O-N 3.27Å; C333-L422 HydrophobicContact CB-CD1 4.2Å
334N90.9Very high86.5Confident1 Ų132.2 Ų32.21%0.00516%0.159CC..Hα-helixtrans-67-46.7-179.8-164.9-64.3000111.8L330 A331 V332 L336 Y337 Y338 L419 V438 L441L330-N334 WeakPolarHBondContact O-CB 3.35Å; L330-N334 PolarHBondContact O-N 3.3Å; A331-N334 PolarHBondContact O-N 2.92Å; V332-N334 VanDerWaalsContact C-N 3.27Å; V332-N334 PolarHBondContact O-N 3.33Å; N334-L336 VanDerWaalsContact C-N 3.32Å; N334-L336 PolarHBondContact O-N 2.89Å; N334-Y337 PolarHBondContact O-N 2.96Å; N334-Y337 VanDerWaalsContact O-N 3.14Å; N334-Y338 WeakPolarHBondContact O-CD2 3.26Å; N334-Y338 PolarHBondContact O-N 3.12Å; N334-Y338 VanDerWaalsContact OD1-CD2 3.26Å; N334-Y338 WeakPolarHBondContact OD1-CD2 3.5Å; N334-L419 HydrophobicContact CB-CD1 4.43Å; N334-V438 HydrophobicContact CB-CG1 4.02Å; N334-V438 WeakPolarHBondContact ND2-CG1 3.35Å; N334-V438 PolarHBondContact ND2-O 2.95Å; N334-L441 VanDerWaalsContact OD1-CB 3.28Å; N334-L441 WeakPolarHBondContact OD1-CB 3.45Å; N334-L441 VanDerWaalsContact OD1-CD1 3.24Å; N334-L441 WeakPolarHBondContact OD1-CD1 3.27Å
335V89.1Confident86Confident4 Ų430 Ų302%0.02415%0.148CC..Hα-helixtrans-59.8-41174.3170.40000111.8F126 L128 Y134 A331 V332 Y337 Y338 P435 L441F126-V335 HydrophobicContact CZ-CG1 4.32Å; L128-V335 HydrophobicContact CD1-CG1 4.05Å; Y134-V335 HydrophobicContact CD2-CG1 3.62Å; Y134-V335 HydrophobicContact CE2-CG1 3.8Å; Y134-V335 HydrophobicContact CG-CG1 4.29Å; A331-V335 WeakPolarHBondContact O-CG2 3.39Å; A331-V335 PolarHBondContact O-N 3.43Å; V332-V335 PolarHBondContact O-N 3.49Å; V335-Y337 VanDerWaalsContact C-N 3.31Å; V335-Y337 PolarHBondContact O-N 3.43Å; V335-Y338 CarbonylContact O-C 3.48Å; V335-Y338 VanDerWaalsContact O-O 3.1Å; V335-P435 HydrophobicContact CG2-CG 4.26Å; V335-L441 HydrophobicContact CG2-CD1 4.02Å
336L88.1Confident85.2Confident11 Ų1132.8 Ų32.86%0.05817%0.168CC..Hα-helixtrans-73.4-22.5178.1-69.4174.4000113.6F126 F131 V302 V332 C333 N334 R415F126-L336 HydrophobicContact CD2-CD1 4.36Å; F126-L336 HydrophobicContact CD2-CD2 4.27Å; F126-L336 HydrophobicContact CD2-CG 4.49Å; F126-L336 HydrophobicContact CE2-CD1 4.28Å; F126-L336 HydrophobicContact CE2-CD2 3.76Å; F126-L336 HydrophobicContact CE2-CG 3.95Å; F131-L336 HydrophobicContact CE1-CD2 4.19Å; F131-L336 HydrophobicContact CE2-CD2 4.27Å; F131-L336 HydrophobicContact CZ-CD2 3.57Å; V302-L336 HydrophobicContact CB-CD1 4.45Å; V302-L336 HydrophobicContact CG1-CD1 4.34Å; V302-L336 HydrophobicContact CG2-CD1 4.45Å; V332-L336 HydrophobicContact CG1-CD1 3.9Å; V332-L336 HydrophobicContact CG1-CG 4.5Å; V332-L336 WeakPolarHBondContact O-CB 3.49Å; V332-L336 VanDerWaalsContact O-CG 3.3Å; V332-L336 WeakPolarHBondContact O-CG 3.38Å; V332-L336 PolarHBondContact O-N 3Å; C333-L336 PolarHBondContact O-N 3.01Å; N334-L336 VanDerWaalsContact C-N 3.32Å; N334-L336 PolarHBondContact O-N 2.89Å; L336-R415 WeakPolarHBondContact O-CD 3.03Å; L336-R415 PolarHBondContact O-NH1 3.04Å; L336-R415 VanDerWaalsContact O-NH1 3.1Å
337Y89.4Confident84.4Confident44 Ų4434.2 Ų34.217%0.17317%0.174CC..Hα-helixtrans-83.2-38.8177.6-177.9-112.6000111.8C333 N334 V335 P339 P412 R415 L416 V450C333-Y337 VanDerWaalsContact O-CB 3.27Å; C333-Y337 WeakPolarHBondContact O-CB 3.05Å; C333-Y337 PolarHBondContact O-N 3.27Å; N334-Y337 PolarHBondContact O-N 2.96Å; N334-Y337 VanDerWaalsContact O-N 3.14Å; V335-Y337 VanDerWaalsContact C-N 3.31Å; V335-Y337 PolarHBondContact O-N 3.43Å; Y337-P339 WeakPolarHBondContact O-CD 3.38Å; Y337-P412 WeakPolarHBondContact CE2-O 3.49Å; Y337-R415 HydrophobicContact CD2-CB 3.7Å; Y337-R415 HydrophobicContact CG-CB 4.45Å; Y337-L416 HydrophobicContact CE1-CD1 4.33Å; Y337-L416 HydrophobicContact CE2-CB 3.85Å; Y337-V450 HydrophobicContact CE1-CG2 4.39Å
338Y88.4Confident83.4Confident8 Ų834.7 Ų34.73%0.03118%0.177CC..SBendtrans-103.492.3176.6-61-69.2000111Y134 N334 V335 L441 P442 A445 D447 V450Y134-Y338 PolarHBondContact OH-O 3.28Å; N334-Y338 WeakPolarHBondContact O-CD2 3.26Å; N334-Y338 PolarHBondContact O-N 3.12Å; N334-Y338 VanDerWaalsContact OD1-CD2 3.26Å; N334-Y338 WeakPolarHBondContact OD1-CD2 3.5Å; V335-Y338 CarbonylContact O-C 3.48Å; V335-Y338 VanDerWaalsContact O-O 3.1Å; Y338-L441 HydrophobicContact CD2-CB 3.88Å; Y338-L441 HydrophobicContact CG-CB 4.34Å; Y338-P442 HydrophobicContact CE2-CB 3.78Å; Y338-P442 HydrophobicContact CE2-CG 4.43Å; Y338-P442 VanDerWaalsContact OH-CB 3.31Å; Y338-P442 WeakPolarHBondContact OH-CB 3.42Å; Y338-A445 HydrophobicContact CD1-CB 3.42Å; Y338-A445 VanDerWaalsContact CD1-CB 3.42Å; Y338-A445 HydrophobicContact CE1-CB 3.48Å; Y338-A445 VanDerWaalsContact CE1-CB 3.48Å; Y338-A445 HydrophobicContact CG-CB 4.4Å; Y338-D447 HydrophobicContact CE1-CB 4.08Å; Y338-D447 VanDerWaalsContact OH-CB 3.31Å; Y338-D447 WeakPolarHBondContact OH-CB 3.47Å; Y338-D447 PolarHBondContact OH-OD2 3.01Å; Y338-D447 VanDerWaalsContact OH-OD2 3.11Å; Y338-V450 WeakPolarHBondContact OH-CB 3.47Å; Y338-V450 WeakPolarHBondContact OH-CG2 3.32Å
339P83.6Confident81.9Confident71 Ų7141.4 Ų41.446%0.46121%0.208SC..  trans-63.9149.7168.128.1-33.5000110.1Y337 E341 S342Y337-P339 WeakPolarHBondContact O-CD 3.38Å; P339-E341 PolarHBondContact O-N 3.34Å; P339-E341 VanDerWaalsContact O-N 3.16Å; P339-S342 WeakPolarHBondContact CD-OG 3.16Å; P339-S342 WeakPolarHBondContact O-CB 3.35Å; P339-S342 PolarHBondContact O-N 3.18Å; P339-S342 PolarHBondContact O-OG 3.1Å
340F78.9Confident80.3Confident40 Ų4043.4 Ų43.418%0.17522%0.221CC..G310 helixtrans-58-35.2-173.7-160.8-95.3000113D133 Y134 F137 S342 L343 P350D133-F340 HydrophobicContact CB-CB 3.72Å; D133-F340 HydrophobicContact CB-CD1 3.9Å; D133-F340 HydrophobicContact CB-CD2 3.81Å; D133-F340 HydrophobicContact CB-CE2 4.43Å; D133-F340 HydrophobicContact CB-CG 3.52Å; Y134-F340 HydrophobicContact CD1-CD2 4.12Å; Y134-F340 AromaticContact CE1-CD2 3.74Å; Y134-F340 HydrophobicContact CE1-CD2 3.74Å; Y134-F340 HydrophobicContact CE1-CE2 4.4Å; Y134-F340 HydrophobicContact CE2-CB 4.49Å; F137-F340 AromaticContact CE2-CE2 3.8Å; F137-F340 HydrophobicContact CE2-CE2 3.8Å; F137-F340 HydrophobicContact CE2-CZ 4.36Å; F137-F340 HydrophobicContact CZ-CE2 4.28Å; F340-S342 PolarHBondContact O-N 3.37Å; F340-S342 VanDerWaalsContact O-N 3.16Å; F340-L343 HydrophobicContact CD2-CD1 3.74Å; F340-L343 HydrophobicContact CE2-CD1 3.93Å; F340-L343 HydrophobicContact CG-CD1 4.3Å; F340-L343 WeakPolarHBondContact O-CB 3.49Å; F340-L343 WeakPolarHBondContact O-CG 3.39Å; F340-L343 PolarHBondContact O-N 3.24Å; F340-L343 VanDerWaalsContact O-N 3.11Å; F340-P350 HydrophobicContact CE1-CG 4.15Å; F340-P350 HydrophobicContact CZ-CB 4.36Å; F340-P350 HydrophobicContact CZ-CG 4.15Å
341E76.8Confident78.7Confident189 Ų18946.2 Ų46.288%0.88324%0.239SC*.G310 helixtrans-60.2-22.6175.3-60.8178.6175.300114.3P339 L343P339-E341 PolarHBondContact O-N 3.34Å; P339-E341 VanDerWaalsContact O-N 3.16Å; E341-L343 VanDerWaalsContact C-N 3.32Å
342S79.3Confident76.6Confident47 Ų4751.6 Ų51.633%0.32927%0.272SS..G310 helixtrans-82.6-10.4179.470.40000113.6P339 F340P339-S342 WeakPolarHBondContact CD-OG 3.16Å; P339-S342 WeakPolarHBondContact O-CB 3.35Å; P339-S342 PolarHBondContact O-N 3.18Å; P339-S342 PolarHBondContact O-OG 3.1Å; F340-S342 PolarHBondContact O-N 3.37Å; F340-S342 VanDerWaalsContact O-N 3.16Å
343L83.4Confident74.1Confident24 Ų2459.1 Ų59.113%0.12631%0.313CS..  trans-78.4127.7-177.5-53.9-178.1000110.2Y134 F340 E341 L441 M444 A445Y134-L343 HydrophobicContact CE1-CD1 4.43Å; F340-L343 HydrophobicContact CD2-CD1 3.74Å; F340-L343 HydrophobicContact CE2-CD1 3.93Å; F340-L343 HydrophobicContact CG-CD1 4.3Å; F340-L343 WeakPolarHBondContact O-CB 3.49Å; F340-L343 WeakPolarHBondContact O-CG 3.39Å; F340-L343 PolarHBondContact O-N 3.24Å; F340-L343 VanDerWaalsContact O-N 3.11Å; E341-L343 VanDerWaalsContact C-N 3.32Å; L343-L441 HydrophobicContact CD1-CD2 4.16Å; L343-L441 HydrophobicContact CD2-CD2 4.49Å; L343-M444 HydrophobicContact CB-CB 4.26Å; L343-M444 HydrophobicContact CB-CE 4.27Å; L343-M444 HydrophobicContact CD1-CE 3.83Å; L343-M444 HydrophobicContact CD1-SD 4.44Å; L343-M444 HydrophobicContact CD2-CB 3.91Å; L343-M444 HydrophobicContact CG-CB 4.48Å; L343-A445 HydrophobicContact CD2-CB 4.25Å
344R78.5Confident71.2Confident130 Ų13064.3 Ų64.349%0.49134%0.344SS..  trans-94.4-14.1-175-57.4-177.6-175.9179.74.5113.6M444 A445 L481 E485R344-M444 WeakPolarHBondContact CB-O 3.25Å; R344-M444 PolarHBondContact N-O 3.02Å; R344-A445 PolarHBondContact NE-O 3.02Å; R344-L481 HydrophobicContact CB-CD2 4.41Å; R344-E485 IonicContact CZ-OE1 2.82Å; R344-E485 IonicContact NH1-OE1 2.68Å; R344-E485 PolarHBondContact NH1-OE1 2.88Å; R344-E485 IonicContact NH2-OE1 3.49Å
345S73.1Confident68.4Low14 Ų1470.9 Ų70.910%0.09839%0.387CS..  trans-79.8130-174.5-1710000112.1L347S345-L347 PolarHBondContact OG-N 2.64Å
346T64.6Low65.7Low98 Ų9873.7 Ų73.760%0.60142%0.416SS*.SBendtrans-91-3.5175.153.70000113.4
347L67.6Low63Low34 Ų3480.4 Ų80.418%0.17845%0.447CS..SBendtrans-76.8-26.7-177.9-74.1-176.9000113.5S345 F472 A480 I558S345-L347 PolarHBondContact OG-N 2.64Å; L347-F472 HydrophobicContact CB-CD2 4.49Å; L347-F472 HydrophobicContact CB-CE2 4.08Å; L347-F472 HydrophobicContact CD1-CZ 4.48Å; L347-F472 HydrophobicContact CD2-CZ 4.23Å; L347-A480 HydrophobicContact CD1-CB 3.35Å; L347-A480 HydrophobicContact CG-CB 3.71Å; L347-I558 HydrophobicContact CD1-CD1 4.06Å; L347-I558 HydrophobicContact CD1-CG2 4.25Å
348I66.2Low60Low9 Ų983.4 Ų83.45%0.04648%0.475CS..  trans-120.7100.6-174-58.8161.8000107.2F137 F440 M444 L465 F472 V477F137-I348 HydrophobicContact CE1-CG2 3.8Å; F137-I348 HydrophobicContact CZ-CG2 3.9Å; I348-F440 HydrophobicContact CD1-CD1 4.48Å; I348-M444 HydrophobicContact CB-CE 3.82Å; I348-M444 HydrophobicContact CB-SD 4.48Å; I348-M444 HydrophobicContact CD1-CE 4.13Å; I348-M444 HydrophobicContact CD1-CG 4.45Å; I348-M444 HydrophobicContact CD1-SD 3.71Å; I348-M444 HydrophobicContact CG2-CE 4.2Å; I348-L465 HydrophobicContact CD1-CD1 3.42Å; I348-L465 VanDerWaalsContact CD1-CD1 3.42Å; I348-L465 HydrophobicContact CG1-CD1 3.99Å; I348-F472 HydrophobicContact CG1-CD2 4.45Å; I348-V477 HydrophobicContact CD1-CG1 4.44Å; I348-V477 HydrophobicContact CD1-CG2 3.88Å
349E62Low57.2Low141 Ų14191.2 Ų91.266%0.65951%0.511SS*.PPolyproline II helixtrans-100.3150.8173.8-67.6-177172.100109.8
350P58.9Low54.5Low43 Ų4394.8 Ų94.828%0.27952%0.522SS..PPolyproline II helixtrans-64.5136.9174.327.6-30.2000109.1A136 F137 F340 T352A136-P350 HydrophobicContact CB-CB 4.17Å; F137-P350 HydrophobicContact CE2-CB 4.36Å; F137-P350 HydrophobicContact CZ-CB 4.49Å; F340-P350 HydrophobicContact CE1-CG 4.15Å; F340-P350 HydrophobicContact CZ-CB 4.36Å; F340-P350 HydrophobicContact CZ-CG 4.15Å; P350-T352 PolarHBondContact O-N 3.32Å; P350-T352 VanDerWaalsContact O-N 3.11Å
351P59.7Low52.2Low59 Ų5999.8 Ų99.838%0.38355%0.55SS..PPolyproline II helixtrans-61.2118.1179.720.7-29.7000110.4A136 D353A136-P351 HydrophobicContact CB-CG 3.91Å; A136-P351 WeakPolarHBondContact O-CG 3.47Å; P351-D353 VanDerWaalsContact C-N 3.28Å; P351-D353 PolarHBondContact O-N 2.73Å
352T47.6Very low49.9Very low115 Ų11598.5 Ų98.571%0.70654%0.544SS*.  trans-77.373.5-178.256.40000111.2P350 T354P350-T352 PolarHBondContact O-N 3.32Å; P350-T352 VanDerWaalsContact O-N 3.11Å; T352-T354 VanDerWaalsContact C-N 3.33Å
353D39.6Very low47.5Very low159 Ų159103.9 Ų103.985%0.8556%0.564SS**  trans-98.230.4167.3-82.9-22.3000111.7P351P351-D353 VanDerWaalsContact C-N 3.28Å; P351-D353 PolarHBondContact O-N 2.73Å
354T30.4Very low44.8Very low109 Ų109110.9 Ų110.967%0.66960%0.596SS**SBendtrans-121.1119.4168.351.80000110.2T352 G356T352-T354 VanDerWaalsContact C-N 3.33Å; T354-G356 PolarHBondContact O-N 3.26Å
355P32.4Very low42.4Very low140 Ų140115.7 Ų115.791%0.90961%0.614SS**SBendtrans-71117.6175.427.5-29000109.6
356G32.2Very low40.2Very low62 Ų62123.8 Ų123.864%0.63965%0.647SS**SBendtrans118.537.2153.600000119.8T354T354-G356 PolarHBondContact O-N 3.26Å
357H29.9Very low38.5Very low152 Ų152127.5 Ų127.570%0.70466%0.658SS**  trans-132.76.8167.7-89.1-64000116.3E359H357-E359 PolarHBondContact O-N 3.33Å
358S27.9Very low36.6Very low107 Ų107132.9 Ų132.975%0.74869%0.693SS**THydrogen-bonded Turntrans-83.16.4-173.753.30000116.4
359E27.9Very low34.6Very low172 Ų172136 Ų13680%0.80473%0.727SS**THydrogen-bonded Turntrans-106.8-8.3-178.2-74-172.316300115.6H357H357-E359 PolarHBondContact O-N 3.33Å
360Q27.7Very low32.9Very low146 Ų146138.6 Ų138.668%0.68274%0.741SS**SBendtrans-102.8-17-173.9-74.9-179.8-23.300115.8
361L31.1Very low31.2Very low145 Ų145143.7 Ų143.776%0.75977%0.766SS**THydrogen-bonded Turntrans-87-8.1-177.2-73.8163.7000114.6
362Q28.8Very low29.6Very low162 Ų162149.8 Ų149.876%0.75779%0.79SS**THydrogen-bonded Turntrans-96.2-13.3-179.6-72.6-172.2-3.800114.5
363E27.4Very low28.5Very low160 Ų160147.4 Ų147.475%0.74879%0.787SS**THydrogen-bonded Turntrans-90.6-30.8179.6-84.3179.7155.400113.6R365E363-R365 VanDerWaalsContact C-N 3.32Å; E363-R365 PolarHBondContact O-N 3.18Å
364E27.3Very low27.7Very low171 Ų171151.3 Ų151.380%0.79979%0.792SS**THydrogen-bonded Turntrans-76.5-11.2-177.3-72.6-172.5157.900115.1
365R28.6Very low27.3Very low231 Ų231153.8 Ų153.887%0.87280%0.801SS**THydrogen-bonded Turntrans-91.41.5178.1-75.6-171.2179.5-157.62.1115E363E363-R365 VanDerWaalsContact C-N 3.32Å; E363-R365 PolarHBondContact O-N 3.18Å
366K27.3Very low27.1Very low185 Ų185150.8 Ų150.880%0.80479%0.788SS**SBendtrans-109.7-0.2-176.7-83.8-176.6-179.9168.70116.4
367E29.1Very low26.7Very low175 Ų175154.8 Ų154.882%0.81880%0.8SS**  trans-123.173.4178.1-70.8-168.9163.600112.5
368T26.9Very low26.4Very low148 Ų148156.2 Ų156.291%0.90881%0.807SS**  trans-157.794.3148.335.80000109.3
369G23.8Very low26.3Very low74 Ų74160.5 Ų160.576%0.76381%0.812SS**  trans177.885.2174.200000113.7
370M25.7Very low26.1Very low195 Ų195157.9 Ų157.996%0.96181%0.813SS**  trans164.5142.2155-94.3172.6-166.700107.3
371D24.6Very low25.9Very low150 Ų150154 Ų15480%0.80281%0.813SS**  cis-168.9179-22.4-171.812000104.4
372E26.4Very low25.5Very low188 Ų188155.3 Ų155.388%0.87982%0.82SS**  trans95.5128.8172.2-51.3-177.3-174.100114.6
373G22.8Very low25.3Very low64 Ų64155.7 Ų155.766%0.6682%0.822SS**  cis155.1130.87.700000107.7
374Y24.6Very low25.1Very low241 Ų241156.1 Ų156.195%0.94582%0.824SS**  trans25.2124160.5-59.7-90000120.9
375D22.1Very low24.9Very low162 Ų162153.3 Ų153.387%0.86682%0.823SS**  -167.1146.7108.6-152.2-0.5000112
376A27Very low24.7Very low76 Ų76148 Ų14863%0.62882%0.816SS**  trans-88.8149176.700000110.8
377T23.6Very low24.7Very low146 Ų146150.9 Ų150.990%0.89682%0.822SS**  trans-162.4128.7143.614.70000111.6
378E24.1Very low24.4Very low182 Ų182150.5 Ų150.585%0.8582%0.82SS**  trans-62.4147.9171.6-59.8168.2138.300112.3
379K25.1Very low24.3Very low198 Ų198151.3 Ų151.386%0.86182%0.819SS**  -175.9116.8122.8-101.1169.8-175.2-1790113.6
380S23.5Very low24.3Very low116 Ų116153.7 Ų153.781%0.81182%0.818SS**  trans12.8138.613860.70000121.2
381G23.9Very low24.4Very low66 Ų66151.9 Ų151.968%0.6881%0.808SS**  trans149.493140.500000117.2
382D22.8Very low24.3Very low172 Ų172150.9 Ų150.992%0.9281%0.807SS**  trans70.1149.9139.5-58.9-24.5000124.1
383E24.4Very low24.5Very low170 Ų170151.3 Ų151.379%0.79481%0.806SS**  trans-82.5169.2-161.1-62.5175.4139.300115.8
384Q23.5Very low24.5Very low169 Ų169159.8 Ų159.879%0.7982%0.818SS**  trans90.5109.7150.1-80.4168.77.800120.6
385S23.1Very low24.3Very low112 Ų112153.8 Ų153.878%0.78381%0.807SS**  108.3138.6125.9800000118.9
386V24.3Very low24.5Very low119 Ų119152 Ų15272%0.72180%0.804SS**  trans83.5104.3167.6-162.90000116.3E388V386-E388 HydrophobicContact CG1-CG 4.31Å; V386-E388 PolarHBondContact O-N 3.01Å
387R27.4Very low24.4Very low245 Ų245156.1 Ų156.193%0.92581%0.81SS**  trans-70.5108.3161.4-70.8176.3175.7171.1-3.1108.4
388E22.9Very low24.5Very low167 Ų167154 Ų15478%0.7880%0.801SS**  trans-124.5112.5156.5-84.4-176.116000107.3V386 V390V386-E388 HydrophobicContact CG1-CG 4.31Å; V386-E388 PolarHBondContact O-N 3.01Å; E388-V390 PolarHBondContact O-N 3.09Å; E388-V390 VanDerWaalsContact O-N 3.12Å
389D24.2Very low24.6Very low165 Ų165152.4 Ų152.488%0.88280%0.798SS**  trans-69.6102.3175.1-72.3-40.8000109E391D389-E391 PolarHBondContact O-N 3.32Å; D389-E391 VanDerWaalsContact O-N 3.15Å
390V25.3Very low24.8Very low124 Ų124145.9 Ų145.975%0.75278%0.777SS**  trans-78.895.3171.3176.90000108.7E388 T392E388-V390 PolarHBondContact O-N 3.09Å; E388-V390 VanDerWaalsContact O-N 3.12Å; V390-T392 PolarHBondContact O-N 3.35Å
391E25.9Very low25.3Very low158 Ų158149.6 Ų149.674%0.73878%0.782SS**  trans-61.199.6165.5-152.2172.2-151.300108.4D389 K393 R413D389-E391 PolarHBondContact O-N 3.32Å; D389-E391 VanDerWaalsContact O-N 3.15Å; E391-K393 PolarHBondContact O-N 3.03Å; E391-R413 IonicContact OE1-NH2 2.63Å
392T23.4Very low25.8Very low128 Ų128155.9 Ų155.979%0.78579%0.793SS**  trans-72.5100.717628.40000109.7V390 R394V390-T392 PolarHBondContact O-N 3.35Å; T392-R394 PolarHBondContact O-N 3.3Å
393K30.5Very low26.5Very low198 Ų198151 Ų15186%0.86177%0.767SS**  trans-45.3108.1163.4-75.9174.8174.91750111E391E391-K393 PolarHBondContact O-N 3.03Å
394R22.6Very low27.2Very low242 Ų242147.6 Ų147.691%0.91375%0.754SS**  trans-117.595.2144.5-76.5-172.7-179.5-165.81107.4T392 P396T392-R394 PolarHBondContact O-N 3.3Å; R394-P396 WeakPolarHBondContact O-CD 3.3Å
395T21.5Very low27.6Very low114 Ų114144.9 Ų144.970%0.69975%0.75SS**  trans-66.4122159.941.30000107.7Q397T395-Q397 PolarHBondContact O-N 2.93Å
396P26.1Very low28.4Very low126 Ų126143.4 Ų143.482%0.81874%0.739SS**  trans-72.8114162.99.35000107R394 C398R394-P396 WeakPolarHBondContact O-CD 3.3Å; P396-C398 PolarHBondContact O-N 3.22Å
397Q24.7Very low29.4Very low161 Ų161138.1 Ų138.175%0.75271%0.707SS**  trans-75.5105.6171-164.7151.6-25.800106.7T395 D399T395-Q397 PolarHBondContact O-N 2.93Å; Q397-D399 PolarHBondContact O-N 2.92Å; Q397-D399 VanDerWaalsContact O-N 3.1Å
398C26.2Very low30.3Very low103 Ų103129.9 Ų129.970%0.69669%0.686SS**  trans-79.386.6178.1-165.10000108.5P396 S400P396-C398 PolarHBondContact O-N 3.22Å; C398-S400 VanDerWaalsContact C-N 3.28Å; C398-S400 PolarHBondContact O-N 3.39Å; C398-S400 PolarHBondContact SG-OG 3.42Å
399D24.3Very low31.4Very low148 Ų148126.1 Ų126.179%0.79168%0.678SS**  trans-84.876165.2-76.8-28.6000108.4Q397Q397-D399 PolarHBondContact O-N 2.92Å; Q397-D399 VanDerWaalsContact O-N 3.1Å
400S30.6Very low33Very low60 Ų60119 Ų11942%0.4264%0.643SS.*  trans-125.2106.6160.243.40000108.3C398 E402C398-S400 VanDerWaalsContact C-N 3.28Å; C398-S400 PolarHBondContact O-N 3.39Å; C398-S400 PolarHBondContact SG-OG 3.42Å; S400-E402 PolarHBondContact O-N 3Å
401Q33.2Very low34.8Very low195 Ų195122.6 Ų122.691%0.91164%0.643SS**THydrogen-bonded Turntrans-61.2132172.2-71172.3-22.800108
402E33.8Very low37.1Very low197 Ų197119.2 Ų119.292%0.92164%0.635SS**THydrogen-bonded Turntrans94.817.6174.8-51.6-171.3170.100119.5S400S400-E402 PolarHBondContact O-N 3Å
403I37.5Very low39.8Very low71 Ų71122.3 Ų122.336%0.36463%0.632SS.*SBendtrans-103124.7161.1-59174.5000109.3P405I403-P405 VanDerWaalsContact O-CD 3.29Å; I403-P405 WeakPolarHBondContact O-CD 3.15Å
404N39.9Very low42.4Very low98 Ų98115.7 Ų115.752%0.52461%0.608SS.*  trans-50.7114.6175.6-88.9-24.2000110.2C406 L407N404-C406 PolarHBondContact O-N 3.27Å; N404-L407 HydrophobicContact CB-CD1 3.95Å; N404-L407 PolarHBondContact O-N 3.3Å
405P32.5Very low45.5Very low111 Ų111105.4 Ų105.472%0.72157%0.569SS**THydrogen-bonded Turntrans-63.6-10.9-170.919.5-29.7000114.4I403I403-P405 VanDerWaalsContact O-CD 3.29Å; I403-P405 WeakPolarHBondContact O-CD 3.15Å
406C38.8Very low48.7Very low81 Ų81101.5 Ų101.555%0.54754%0.543SS..THydrogen-bonded Turntrans-78.2-32.4178.8-65.30000114N404 C408 S409N404-C406 PolarHBondContact O-N 3.27Å; C406-C408 PolarHBondContact O-N 3.46Å; C406-S409 PolarHBondContact O-OG 2.84Å
407L46.4Very low51.8Low8 Ų899 Ų994%0.04253%0.526CS..THydrogen-bonded Turntrans-71.3-17.5-177.6-87.5102.8000113.7F126 V302 N404 R415F126-L407 HydrophobicContact CD2-CD2 3.9Å; V302-L407 HydrophobicContact CG1-CD2 3.82Å; V302-L407 HydrophobicContact CG1-CG 3.98Å; N404-L407 HydrophobicContact CB-CD1 3.95Å; N404-L407 PolarHBondContact O-N 3.3Å; L407-R415 PolarHBondContact O-NH2 3.43Å
408C46.2Very low55.1Low72 Ų7291.3 Ų91.349%0.48649%0.49SS..THydrogen-bonded Turntrans-107.49.5-175.2-72.60000114.4C406 A410C406-C408 PolarHBondContact O-N 3.46Å; C408-A410 PolarHBondContact O-N 3.35Å
409S44.6Very low58.3Low88 Ų8886.4 Ų86.462%0.61546%0.457SS*.  trans-76.9-19.9-172.763.90000115C406C406-S409 PolarHBondContact O-OG 2.84Å
410A57.8Low61.6Low17 Ų1782.6 Ų82.614%0.1443%0.433CS..SBendtrans-78.8129.7-177.900000112.2C408 R415C408-A410 PolarHBondContact O-N 3.35Å; A410-R415 HydrophobicContact CB-CG 4.39Å
411R64.8Low64.7Low198 Ų19880.9 Ų80.975%0.74742%0.42SS*.  trans-66145.9177.9-64.4-179.9-177.3172.51110.6R413 V414 R415R411-R413 PolarHBondContact O-N 3.38Å; R411-R413 VanDerWaalsContact O-N 3.08Å; R411-V414 HydrophobicContact CB-CG2 4.34Å; R411-V414 WeakPolarHBondContact O-CB 3.39Å; R411-V414 PolarHBondContact O-N 3.44Å; R411-R415 PolarHBondContact O-N 3.25Å
412P74.1Confident67.6Low88 Ų8871.6 Ų71.657%0.57138%0.376SS*.Hα-helixtrans-50.1-38.3178.9-29.734.8000114.5Y337 V414 R415 L416Y337-P412 WeakPolarHBondContact CE2-O 3.49Å; P412-V414 VanDerWaalsContact C-N 3.31Å; P412-V414 PolarHBondContact O-N 3.43Å; P412-R415 PolarHBondContact O-N 3.18Å; P412-L416 PolarHBondContact O-N 3.24Å
413R78.8Confident70.5Confident193 Ų19362.5 Ų62.573%0.72833%0.334SS*.Hα-helixtrans-59.5-38.5176.3-69.2-172.6-178.7161.56.9113.2E391 R411 T417E391-R413 IonicContact OE1-NH2 2.63Å; R411-R413 PolarHBondContact O-N 3.38Å; R411-R413 VanDerWaalsContact O-N 3.08Å; R413-T417 PolarHBondContact O-N 3.2Å
414V84.9Confident73.2Confident58 Ų5864.2 Ų64.235%0.35234%0.343SS..Hα-helixtrans-70.8-41.8-179.7-175.40000109.9C304 R411 P412 L416 T417 T418C304-V414 HydrophobicContact CB-CG1 3.65Å; R411-V414 HydrophobicContact CB-CG2 4.34Å; R411-V414 WeakPolarHBondContact O-CB 3.39Å; R411-V414 PolarHBondContact O-N 3.44Å; P412-V414 VanDerWaalsContact C-N 3.31Å; P412-V414 PolarHBondContact O-N 3.43Å; V414-L416 VanDerWaalsContact C-N 3.35Å; V414-L416 PolarHBondContact O-N 2.84Å; V414-T417 WeakPolarHBondContact CA-OG1 3.47Å; V414-T417 PolarHBondContact O-N 2.86Å; V414-T417 VanDerWaalsContact O-N 3.1Å; V414-T417 PolarHBondContact O-OG1 3.26Å; V414-T418 PolarHBondContact O-N 3.46Å; V414-T418 PolarHBondContact O-OG1 3.11Å
415R87.8Confident75.8Confident27 Ų2763.9 Ų63.910%0.10234%0.335CS..Hα-helixtrans-60.8-41.5175.4-75.1-178.8-179.5140.54.9112.9C304 L336 Y337 L407 A410 R411 P412 T417 T418 L419C304-R415 WeakPolarHBondContact SG-CG 3.48Å; L336-R415 WeakPolarHBondContact O-CD 3.03Å; L336-R415 PolarHBondContact O-NH1 3.04Å; L336-R415 VanDerWaalsContact O-NH1 3.1Å; Y337-R415 HydrophobicContact CD2-CB 3.7Å; Y337-R415 HydrophobicContact CG-CB 4.45Å; L407-R415 PolarHBondContact O-NH2 3.43Å; A410-R415 HydrophobicContact CB-CG 4.39Å; R411-R415 PolarHBondContact O-N 3.25Å; P412-R415 PolarHBondContact O-N 3.18Å; R415-T417 VanDerWaalsContact C-N 3.29Å; R415-T417 PolarHBondContact O-N 2.94Å; R415-T418 PolarHBondContact O-N 2.96Å; R415-L419 WeakPolarHBondContact O-CB 2.93Å; R415-L419 PolarHBondContact O-N 3.39Å
416L89.4Confident78.7Confident31 Ų3161 Ų6116%0.16233%0.326CS..Hα-helixtrans-60.9-39.6174.5-175.761.6000111.8Y337 P412 V414 L419 K420 V450Y337-L416 HydrophobicContact CE1-CD1 4.33Å; Y337-L416 HydrophobicContact CE2-CB 3.85Å; P412-L416 PolarHBondContact O-N 3.24Å; V414-L416 VanDerWaalsContact C-N 3.35Å; V414-L416 PolarHBondContact O-N 2.84Å; L416-L419 PolarHBondContact O-N 2.9Å; L416-K420 HydrophobicContact CD1-CD 4.44Å; L416-K420 HydrophobicContact CD1-CG 4.47Å; L416-K420 HydrophobicContact CG-CD 4.26Å; L416-K420 WeakPolarHBondContact O-CB 3.14Å; L416-K420 WeakPolarHBondContact O-CG 3.29Å; L416-K420 PolarHBondContact O-N 2.94Å; L416-V450 HydrophobicContact CD1-CG2 3.56Å
417T92.2Very high81.3Confident73 Ų7357.3 Ų57.345%0.44830%0.301SS..Hα-helixtrans-64.7-41.1175.156.30000112.2R413 V414 R415 K420 L421R413-T417 PolarHBondContact O-N 3.2Å; V414-T417 WeakPolarHBondContact CA-OG1 3.47Å; V414-T417 PolarHBondContact O-N 2.86Å; V414-T417 VanDerWaalsContact O-N 3.1Å; V414-T417 PolarHBondContact O-OG1 3.26Å; R415-T417 VanDerWaalsContact C-N 3.29Å; R415-T417 PolarHBondContact O-N 2.94Å; T417-K420 PolarHBondContact O-N 2.84Å; T417-L421 VanDerWaalsContact O-CB 3.28Å; T417-L421 WeakPolarHBondContact O-CB 3.49Å; T417-L421 PolarHBondContact O-N 2.6Å
418T93Very high83.4Confident0 Ų059.7 Ų59.70%031%0.314CS..Hα-helixtrans-64.3-42.1175.4-45.80000112T301 C304 N306 I309 V414 R415 L421 L422T301-T418 HydrophobicContact CG2-CG2 4.29Å; C304-T418 VanDerWaalsContact CB-OG1 3.26Å; C304-T418 WeakPolarHBondContact CB-OG1 3.41Å; C304-T418 PolarHBondContact SG-OG1 3.44Å; N306-T418 WeakPolarHBondContact OD1-CG2 3.45Å; N306-T418 PolarHBondContact OD1-OG1 3.29Å; I309-T418 HydrophobicContact CD1-CG2 3.63Å; V414-T418 PolarHBondContact O-N 3.46Å; V414-T418 PolarHBondContact O-OG1 3.11Å; R415-T418 PolarHBondContact O-N 2.96Å; T418-L421 VanDerWaalsContact O-CB 3.3Å; T418-L421 WeakPolarHBondContact O-CB 3.41Å; T418-L421 PolarHBondContact O-N 3.1Å; T418-L422 WeakPolarHBondContact O-CG 3.5Å; T418-L422 PolarHBondContact O-N 3.42Å
419L93.9Very high85.5Confident1 Ų156.4 Ų56.41%0.00529%0.292CS..Hα-helixtrans-62.8-47.4177.2-172.9153.2000110.9L330 N334 R415 L416 L421 L422 L423 V450L330-L419 HydrophobicContact CD1-CG 4.11Å; N334-L419 HydrophobicContact CB-CD1 4.43Å; R415-L419 WeakPolarHBondContact O-CB 2.93Å; R415-L419 PolarHBondContact O-N 3.39Å; L416-L419 PolarHBondContact O-N 2.9Å; L419-L421 VanDerWaalsContact C-N 3.29Å; L419-L421 PolarHBondContact O-N 2.77Å; L419-L422 PolarHBondContact O-N 2.67Å; L419-L423 HydrophobicContact CD2-CD1 3.65Å; L419-L423 HydrophobicContact CD2-CG 4.47Å; L419-L423 WeakPolarHBondContact O-CG 3.5Å; L419-L423 PolarHBondContact O-N 3.35Å; L419-V450 HydrophobicContact CD1-CG1 4.41Å; L419-V450 HydrophobicContact CD2-CG1 3.96Å
420K93.4Very high87.7Confident67 Ų6754.3 Ų54.329%0.29127%0.273SS..Hα-helixtrans-61.1-40.1175-72.3177.9179.5178.90110.9L416 T417 L423 D424 E449L416-K420 HydrophobicContact CD1-CD 4.44Å; L416-K420 HydrophobicContact CD1-CG 4.47Å; L416-K420 HydrophobicContact CG-CD 4.26Å; L416-K420 WeakPolarHBondContact O-CB 3.14Å; L416-K420 WeakPolarHBondContact O-CG 3.29Å; L416-K420 PolarHBondContact O-N 2.94Å; T417-K420 PolarHBondContact O-N 2.84Å; K420-L423 PolarHBondContact O-N 2.88Å; K420-D424 WeakPolarHBondContact O-CB 3.28Å; K420-D424 PolarHBondContact O-N 2.83Å; K420-E449 IonicContact NZ-OE2 2.72Å; K420-E449 PolarHBondContact NZ-OE2 3.4Å
421L94.6Very high89Confident25 Ų2554.7 Ų54.713%0.13128%0.275CS..Hα-helixtrans-58-50.1176.3-173.972.7000112.7N306 I309 H310 T417 T418 L419 L423 D424 R425N306-L421 HydrophobicContact CB-CD2 3.98Å; I309-L421 HydrophobicContact CB-CD2 4.24Å; I309-L421 HydrophobicContact CG2-CD2 3.86Å; H310-L421 WeakPolarHBondContact CE1-CD1 3.28Å; H310-L421 WeakPolarHBondContact NE2-CD1 3.31Å; T417-L421 VanDerWaalsContact O-CB 3.28Å; T417-L421 WeakPolarHBondContact O-CB 3.49Å; T417-L421 PolarHBondContact O-N 2.6Å; T418-L421 VanDerWaalsContact O-CB 3.3Å; T418-L421 WeakPolarHBondContact O-CB 3.41Å; T418-L421 PolarHBondContact O-N 3.1Å; L419-L421 VanDerWaalsContact C-N 3.29Å; L419-L421 PolarHBondContact O-N 2.77Å; L421-L423 VanDerWaalsContact C-N 3.32Å; L421-L423 PolarHBondContact O-N 3.21Å; L421-D424 PolarHBondContact O-N 3.05Å; L421-R425 WeakPolarHBondContact O-CB 3.4Å; L421-R425 VanDerWaalsContact O-CG 3.28Å; L421-R425 WeakPolarHBondContact O-CG 3.2Å; L421-R425 PolarHBondContact O-N 3.08Å
422L95.1Very high89.9Confident0 Ų045.9 Ų45.90%024%0.244CC..Hα-helixtrans-61.4-43.1-180-69.4170.7000110.9T301 I309 I319 A329 L330 C333 T418 L419 R425 G426 A427T301-L422 HydrophobicContact CG2-CD1 3.97Å; I309-L422 HydrophobicContact CG2-CD2 4.07Å; I319-L422 HydrophobicContact CD1-CD2 4.37Å; I319-L422 WeakPolarHBondContact CD1-O 3.09Å; I319-L422 HydrophobicContact CG1-CD2 4.42Å; A329-L422 HydrophobicContact CB-CD1 4.28Å; A329-L422 HydrophobicContact CB-CD2 4.39Å; L330-L422 HydrophobicContact CB-CD1 4.49Å; L330-L422 HydrophobicContact CD1-CB 4.29Å; C333-L422 HydrophobicContact CB-CD1 4.2Å; T418-L422 WeakPolarHBondContact O-CG 3.5Å; T418-L422 PolarHBondContact O-N 3.42Å; L419-L422 PolarHBondContact O-N 2.67Å; L422-R425 PolarHBondContact O-N 3.37Å; L422-G426 PolarHBondContact O-N 3.13Å; L422-A427 HydrophobicContact CB-CB 4.15Å; L422-A427 WeakPolarHBondContact O-CB 3.48Å; L422-A427 PolarHBondContact O-N 3.12Å
423L94.8Very high90.2Very high6 Ų647 Ų473%0.03124%0.236CC..Hα-helixtrans-65.1-42.2175.9-67.4175.4000112.6L330 L419 K420 L421 R425 G426 K453 L454 C457L330-L423 HydrophobicContact CD1-CD2 3.97Å; L330-L423 HydrophobicContact CD1-CG 3.99Å; L330-L423 HydrophobicContact CD2-CD2 3.6Å; L330-L423 HydrophobicContact CG-CD2 4.45Å; L419-L423 HydrophobicContact CD2-CD1 3.65Å; L419-L423 HydrophobicContact CD2-CG 4.47Å; L419-L423 WeakPolarHBondContact O-CG 3.5Å; L419-L423 PolarHBondContact O-N 3.35Å; K420-L423 PolarHBondContact O-N 2.88Å; L421-L423 VanDerWaalsContact C-N 3.32Å; L421-L423 PolarHBondContact O-N 3.21Å; L423-R425 PolarHBondContact O-N 3.28Å; L423-G426 PolarHBondContact O-N 3.38Å; L423-K453 HydrophobicContact CB-CG 4.49Å; L423-K453 HydrophobicContact CD1-CB 4.42Å; L423-K453 HydrophobicContact CD1-CG 3.68Å; L423-L454 HydrophobicContact CD1-CD2 3.77Å; L423-L454 HydrophobicContact CD1-CG 4.29Å; L423-L454 HydrophobicContact CD2-CD2 3.81Å; L423-L454 HydrophobicContact CG-CD2 4.43Å; L423-C457 HydrophobicContact CD2-CB 4.24Å
424D94.6Very high90.1Very high106 Ų10638.5 Ų38.557%0.56721%0.206SC*.Hα-helixtrans-64.4-26.4176.7-72.4-24.1000112.6K420 L421 G426 K453K420-D424 WeakPolarHBondContact O-CB 3.28Å; K420-D424 PolarHBondContact O-N 2.83Å; L421-D424 PolarHBondContact O-N 3.05Å; D424-G426 VanDerWaalsContact C-N 3.31Å; D424-K453 WeakPolarHBondContact OD1-CE 3.4Å; D424-K453 IonicContact OD1-NZ 3.22Å; D424-K453 PolarHBondContact OD1-NZ 2.91Å
425R94.6Very high89.7Confident91 Ų9136 Ų3634%0.34319%0.191SC..THydrogen-bonded Turntrans-86.21.9174.6-68.2-65.2-169.8103.6-21.7113.7H310 L313 D314 I319 L421 L422 L423H310-R425 PolarHBondContact CE1-NH2 2.73Å; H310-R425 PolarHBondContact ND1-NH2 2.94Å; L313-R425 HydrophobicContact CD1-CB 3.82Å; L313-R425 HydrophobicContact CD1-CG 3.77Å; D314-R425 IonicContact OD1-CZ 3.65Å; D314-R425 IonicContact OD1-NH1 2.67Å; D314-R425 PolarHBondContact OD1-NH1 2.66Å; D314-R425 IonicContact OD1-NH2 3.14Å; D314-R425 PolarHBondContact OD1-NH2 2.9Å; I319-R425 HydrophobicContact CD1-CB 3.73Å; L421-R425 WeakPolarHBondContact O-CB 3.4Å; L421-R425 VanDerWaalsContact O-CG 3.28Å; L421-R425 WeakPolarHBondContact O-CG 3.2Å; L421-R425 PolarHBondContact O-N 3.08Å; L422-R425 PolarHBondContact O-N 3.37Å; L423-R425 PolarHBondContact O-N 3.28Å
426G91.9Very high89.6Confident52 Ų5235 Ų3554%0.53619%0.187SC..THydrogen-bonded Turntrans93.321.8173.200000115.3L422 L423 D424 D428L422-G426 PolarHBondContact O-N 3.13Å; L423-G426 PolarHBondContact O-N 3.38Å; D424-G426 VanDerWaalsContact C-N 3.31Å; G426-D428 PolarHBondContact O-N 3.44Å
427A93.6Very high89.6Confident3 Ų334.3 Ų34.33%0.02519%0.185CC..  trans-60.1131173.400000110.9I319 L330 L422 P429I319-A427 HydrophobicContact CD1-CB 3.72Å; I319-A427 HydrophobicContact CG1-CB 3.8Å; L330-A427 HydrophobicContact CB-CB 4.2Å; L330-A427 HydrophobicContact CD2-CB 4.05Å; L422-A427 HydrophobicContact CB-CB 4.15Å; L422-A427 WeakPolarHBondContact O-CB 3.48Å; L422-A427 PolarHBondContact O-N 3.12Å; A427-P429 VanDerWaalsContact O-CD 3.31Å; A427-P429 WeakPolarHBondContact O-CD 3.33Å
428D90.8Very high89.5Confident58 Ų5830.9 Ų30.931%0.3116%0.164SC..  trans-76.8116.4176.8-176.6-3.7000110.1D320 G426 N430 C431D320-D428 PolarHBondContact OD1-N 3Å; D320-D428 WeakPolarHBondContact OD2-CB 3.43Å; D320-D428 PolarHBondContact OD2-N 2.83Å; G426-D428 PolarHBondContact O-N 3.44Å; D428-N430 PolarHBondContact O-N 3.18Å; D428-N430 VanDerWaalsContact O-N 3.08Å; D428-N430 VanDerWaalsContact OD1-CB 3.28Å; D428-N430 WeakPolarHBondContact OD1-CB 3.46Å; D428-N430 PolarHBondContact OD1-N 2.8Å; D428-N430 PolarHBondContact OD1-ND2 2.91Å; D428-C431 HydrophobicContact CB-CB 4.36Å; D428-C431 WeakPolarHBondContact O-CB 3.43Å; D428-C431 PolarHBondContact O-N 3.06Å; D428-C431 VanDerWaalsContact O-N 3.16Å
429P91.3Very high89.5Confident3 Ų331.1 Ų31.12%0.01917%0.165CC..THydrogen-bonded Turntrans-63.7-13.4177.228.5-37.4000114.2L330 A427 V438 L454 C457 A459L330-P429 HydrophobicContact CD2-CB 4.36Å; A427-P429 VanDerWaalsContact O-CD 3.31Å; A427-P429 WeakPolarHBondContact O-CD 3.33Å; P429-V438 WeakPolarHBondContact O-CB 3.45Å; P429-V438 WeakPolarHBondContact O-CG2 3.45Å; P429-L454 HydrophobicContact CB-CD2 3.7Å; P429-C457 WeakPolarHBondContact CD-O 3.32Å; P429-A459 HydrophobicContact CB-CB 3.88Å; P429-A459 VanDerWaalsContact CG-CA 3.48Å; P429-A459 HydrophobicContact CG-CB 3.7Å
430N89.5Confident89.3Confident43 Ų4331.1 Ų31.123%0.2317%0.165CC..THydrogen-bonded Turntrans-90.1-8.9-179.8-51.4-66.1000112.8D428 C432 G458 R460 I463D428-N430 PolarHBondContact O-N 3.18Å; D428-N430 VanDerWaalsContact O-N 3.08Å; D428-N430 VanDerWaalsContact OD1-CB 3.28Å; D428-N430 WeakPolarHBondContact OD1-CB 3.46Å; D428-N430 PolarHBondContact OD1-N 2.8Å; D428-N430 PolarHBondContact OD1-ND2 2.91Å; N430-C432 PolarHBondContact O-N 2.88Å; N430-G458 PolarHBondContact ND2-O 2.86Å; N430-R460 VanDerWaalsContact OD1-CB 3.31Å; N430-R460 WeakPolarHBondContact OD1-CB 3.22Å; N430-R460 WeakPolarHBondContact OD1-CG 3.39Å; N430-R460 PolarHBondContact OD1-N 3.4Å; N430-I463 WeakPolarHBondContact OD1-CD1 3.43Å
431C85.1Confident89.2Confident26 Ų2628 Ų2818%0.17615%0.152CC..  trans-79.763.4178.5-74.50000112.2D320 S328 D428D320-C431 HydrophobicContact CB-CB 4.2Å; S328-C431 VanDerWaalsContact CB-O 3.29Å; S328-C431 WeakPolarHBondContact CB-O 3.43Å; S328-C431 PolarHBondContact OG-O 3.16Å; D428-C431 HydrophobicContact CB-CB 4.36Å; D428-C431 WeakPolarHBondContact O-CB 3.43Å; D428-C431 PolarHBondContact O-N 3.06Å; D428-C431 VanDerWaalsContact O-N 3.16Å
432C84.4Confident89.1Confident13 Ų1326.9 Ų26.99%0.08815%0.146CC..BIsolated β-bridgetrans-152127.1173.4-176.30000111.1A331 N430 V434 M436 V438A331-C432 HydrophobicContact CB-CB 3.83Å; A331-C432 VanDerWaalsContact CB-SG 3.55Å; N430-C432 PolarHBondContact O-N 2.88Å; C432-V434 PolarHBondContact SG-O 3.02Å; C432-M436 PolarHBondContact SG-O 3.08Å; C432-V438 HydrophobicContact CB-CG2 3.54Å
433R79.9Confident89.1Confident110 Ų11026.9 Ų26.942%0.41515%0.146SC..  trans-102.1-35176.1-63.5-177.1-179.3-141.4-6.1113.1Q149 G326Q149-R433 PolarHBondContact O-NH2 2.85Å; G326-R433 PolarHBondContact O-N 2.79Å
434V77.8Confident88.8Confident15 Ų1526.7 Ų26.79%0.09115%0.145CC..SBendtrans-135.5139.4-171.6-177.10000108.5L128 M138 E325 M327 C432L128-V434 HydrophobicContact CD2-CG1 3.53Å; M138-V434 HydrophobicContact CG-CG1 3.66Å; M138-V434 HydrophobicContact SD-CG1 4.45Å; E325-V434 WeakPolarHBondContact O-CB 3.43Å; E325-V434 VanDerWaalsContact O-CG2 3.31Å; E325-V434 WeakPolarHBondContact O-CG2 3.3Å; M327-V434 WeakPolarHBondContact CG-O 3.38Å; C432-V434 PolarHBondContact SG-O 3.02Å
435P76.5Confident88.6Confident7 Ų722.2 Ų22.25%0.04512%0.123CC..SBendcis-73.2-27.1-2.828.5-33.6000113.2L128 Y134 F137 V335L128-P435 HydrophobicContact CD2-CB 4.33Å; Y134-P435 HydrophobicContact CD1-CB 4.22Å; Y134-P435 HydrophobicContact CD1-CG 3.75Å; Y134-P435 HydrophobicContact CE1-CG 4.42Å; Y134-P435 HydrophobicContact CG-CG 4.3Å; F137-P435 HydrophobicContact CB-CB 3.73Å; F137-P435 HydrophobicContact CD2-CB 4.33Å; F137-P435 HydrophobicContact CG-CB 4.25Å; V335-P435 HydrophobicContact CG2-CG 4.26Å
436M85.3Confident88.4Confident4 Ų418.3 Ų18.32%0.0211%0.111CC..SBendtrans-163.4166.9179.560.6-165.277.500109.3F137 C432 F440 L441 M444 L465F137-M436 HydrophobicContact CD1-CE 4.15Å; F137-M436 HydrophobicContact CD2-CE 4.23Å; F137-M436 HydrophobicContact CE1-CE 4.14Å; F137-M436 HydrophobicContact CE2-CE 4.23Å; F137-M436 HydrophobicContact CG-CE 4.19Å; F137-M436 HydrophobicContact CZ-CE 4.17Å; C432-M436 PolarHBondContact SG-O 3.08Å; M436-F440 HydrophobicContact CG-CB 3.98Å; M436-F440 HydrophobicContact SD-CB 3.78Å; M436-L441 HydrophobicContact CE-CD2 4.49Å; M436-L441 HydrophobicContact CG-CD2 4.37Å; M436-L441 HydrophobicContact CG-CG 4.47Å; M436-L441 HydrophobicContact SD-CD2 3.99Å; M436-M444 HydrophobicContact SD-SD 4.12Å; M436-L465 HydrophobicContact CB-CD2 3.76Å
437P88.7Confident88.5Confident17 Ų1717.3 Ų17.311%0.119%0.093CC..  trans-55.9143.9177.1-21.430.5000112.3L439 F440 I463P437-L439 PolarHBondContact O-N 3.4Å; P437-F440 HydrophobicContact CB-CD2 3.92Å; P437-F440 HydrophobicContact CB-CE2 4.22Å; P437-F440 HydrophobicContact CG-CD2 3.98Å; P437-F440 HydrophobicContact CG-CE2 3.95Å; P437-F440 PolarHBondContact O-N 2.72Å; P437-I463 HydrophobicContact CB-CD1 4.12Å; P437-I463 HydrophobicContact CB-CG2 4.21Å; P437-I463 HydrophobicContact CG-CB 4.41Å; P437-I463 HydrophobicContact CG-CD1 4.49Å; P437-I463 HydrophobicContact CG-CG2 3.46Å; P437-I463 VanDerWaalsContact CG-CG2 3.46Å
438V90.4Very high88.5Confident2 Ų218.9 Ų18.91%0.01210%0.103CC..THydrogen-bonded Turntrans-55.4-29.8-171.2-178.30000112.9L330 A331 N334 P429 C432 F440 P442 L454L330-V438 HydrophobicContact CD2-CG1 4.35Å; L330-V438 HydrophobicContact CG-CG1 4.24Å; A331-V438 HydrophobicContact CB-CG2 4.23Å; N334-V438 HydrophobicContact CB-CG1 4.02Å; N334-V438 WeakPolarHBondContact ND2-CG1 3.35Å; N334-V438 PolarHBondContact ND2-O 2.95Å; P429-V438 WeakPolarHBondContact O-CB 3.45Å; P429-V438 WeakPolarHBondContact O-CG2 3.45Å; C432-V438 HydrophobicContact CB-CG2 3.54Å; V438-F440 VanDerWaalsContact C-N 3.31Å; V438-F440 PolarHBondContact O-N 2.82Å; V438-P442 WeakPolarHBondContact O-CD 3.48Å; V438-L454 HydrophobicContact CG1-CD1 4.33Å; V438-L454 HydrophobicContact CG1-CD2 4.09Å
439L92.5Very high88.6Confident4 Ų421.7 Ų21.72%0.02111%0.114CC..THydrogen-bonded Turntrans-67.3-25.5-179.6-174.361.1000113.7P437 P442 I443 V451 L454 L455 A459 R460 T461 P474 L493P437-L439 PolarHBondContact O-N 3.4Å; L439-P442 WeakPolarHBondContact O-CD 3.21Å; L439-P442 VanDerWaalsContact O-CG 3.32Å; L439-P442 WeakPolarHBondContact O-CG 3.26Å; L439-I443 HydrophobicContact CD1-CD1 4.17Å; L439-I443 HydrophobicContact CD2-CD1 4.42Å; L439-I443 HydrophobicContact CG-CD1 3.8Å; L439-I443 WeakPolarHBondContact O-CD1 3.39Å; L439-I443 VanDerWaalsContact O-CG1 3.25Å; L439-I443 WeakPolarHBondContact O-CG1 2.88Å; L439-V451 HydrophobicContact CD1-CG1 4.33Å; L439-L454 HydrophobicContact CD1-CB 4.22Å; L439-L454 HydrophobicContact CD1-CD1 4.26Å; L439-L455 HydrophobicContact CD2-CD2 4.4Å; L439-A459 HydrophobicContact CD1-CB 4.3Å; L439-A459 HydrophobicContact CD2-CB 4.27Å; L439-R460 WeakPolarHBondContact CD2-O 3.35Å; L439-T461 HydrophobicContact CD2-CG2 4.48Å; L439-P474 HydrophobicContact CD2-CB 4.11Å; L439-P474 HydrophobicContact CD2-CG 3.9Å; L439-L493 HydrophobicContact CD2-CD2 4.49Å
440F91.5Very high88.7Confident1 Ų121.6 Ų21.60%0.00411%0.113CC..Hα-helixtrans-72.4-44.9-174.8-80.9-89.4000113.3I348 M436 P437 V438 I443 M444 L465 P474 V477I348-F440 HydrophobicContact CD1-CD1 4.48Å; M436-F440 HydrophobicContact CG-CB 3.98Å; M436-F440 HydrophobicContact SD-CB 3.78Å; P437-F440 HydrophobicContact CB-CD2 3.92Å; P437-F440 HydrophobicContact CB-CE2 4.22Å; P437-F440 HydrophobicContact CG-CD2 3.98Å; P437-F440 HydrophobicContact CG-CE2 3.95Å; P437-F440 PolarHBondContact O-N 2.72Å; V438-F440 VanDerWaalsContact C-N 3.31Å; V438-F440 PolarHBondContact O-N 2.82Å; F440-I443 PolarHBondContact O-N 3.16Å; F440-M444 WeakPolarHBondContact O-CB 3.32Å; F440-M444 VanDerWaalsContact O-CG 3.26Å; F440-M444 WeakPolarHBondContact O-CG 3.4Å; F440-M444 PolarHBondContact O-N 3.42Å; F440-L465 HydrophobicContact CD1-CD1 3.95Å; F440-L465 HydrophobicContact CD1-CD2 4.04Å; F440-L465 HydrophobicContact CD1-CG 4.05Å; F440-L465 HydrophobicContact CD2-CD2 3.91Å; F440-L465 HydrophobicContact CE1-CD1 3.71Å; F440-L465 HydrophobicContact CE1-CD2 3.95Å; F440-L465 HydrophobicContact CE1-CG 3.55Å; F440-L465 HydrophobicContact CE2-CD2 3.81Å; F440-L465 HydrophobicContact CE2-CG 4.1Å; F440-L465 HydrophobicContact CG-CD2 4.02Å; F440-L465 HydrophobicContact CZ-CD1 4.27Å; F440-L465 HydrophobicContact CZ-CD2 3.83Å; F440-L465 HydrophobicContact CZ-CG 3.58Å; F440-P474 HydrophobicContact CE1-CG 4.44Å; F440-P474 HydrophobicContact CE2-CG 4.15Å; F440-P474 HydrophobicContact CZ-CG 3.93Å; F440-V477 HydrophobicContact CD1-CG2 3.91Å; F440-V477 HydrophobicContact CE1-CG2 3.79Å
441L90.9Very high89Confident3 Ų319.6 Ų19.62%0.01610%0.102CC..Hα-helixtrans-57.3-49-179.4-62-179.8000114.2Y134 N334 V335 Y338 L343 M436 I443 M444 A445Y134-L441 HydrophobicContact CE1-CD1 4.47Å; Y134-L441 HydrophobicContact CE1-CD2 3.7Å; N334-L441 VanDerWaalsContact OD1-CB 3.28Å; N334-L441 WeakPolarHBondContact OD1-CB 3.45Å; N334-L441 VanDerWaalsContact OD1-CD1 3.24Å; N334-L441 WeakPolarHBondContact OD1-CD1 3.27Å; V335-L441 HydrophobicContact CG2-CD1 4.02Å; Y338-L441 HydrophobicContact CD2-CB 3.88Å; Y338-L441 HydrophobicContact CG-CB 4.34Å; L343-L441 HydrophobicContact CD1-CD2 4.16Å; L343-L441 HydrophobicContact CD2-CD2 4.49Å; M436-L441 HydrophobicContact CE-CD2 4.49Å; M436-L441 HydrophobicContact CG-CD2 4.37Å; M436-L441 HydrophobicContact CG-CG 4.47Å; M436-L441 HydrophobicContact SD-CD2 3.99Å; L441-I443 VanDerWaalsContact C-N 3.32Å; L441-I443 PolarHBondContact O-N 3.1Å; L441-M444 PolarHBondContact O-N 2.83Å; L441-A445 WeakPolarHBondContact O-CB 3.5Å; L441-A445 PolarHBondContact O-N 2.68Å
442P92.8Very high89.5Confident0 Ų023 Ų230%012%0.115CC..Hα-helixtrans-66.3-33.6177.726.7-35.1000112.3Y338 V438 L439 A445 G446 D447 V450 V451 L454Y338-P442 HydrophobicContact CE2-CB 3.78Å; Y338-P442 HydrophobicContact CE2-CG 4.43Å; Y338-P442 VanDerWaalsContact OH-CB 3.31Å; Y338-P442 WeakPolarHBondContact OH-CB 3.42Å; V438-P442 WeakPolarHBondContact O-CD 3.48Å; L439-P442 WeakPolarHBondContact O-CD 3.21Å; L439-P442 VanDerWaalsContact O-CG 3.32Å; L439-P442 WeakPolarHBondContact O-CG 3.26Å; P442-A445 PolarHBondContact O-N 2.84Å; P442-G446 PolarHBondContact O-N 3.14Å; P442-D447 HydrophobicContact CB-CB 4.47Å; P442-D447 PolarHBondContact O-N 3.07Å; P442-V450 HydrophobicContact CB-CB 4.15Å; P442-V450 HydrophobicContact CB-CG1 3.85Å; P442-V450 HydrophobicContact CG-CG1 4.28Å; P442-V451 HydrophobicContact CB-CG2 3.9Å; P442-V451 HydrophobicContact CG-CG2 4.19Å; P442-L454 HydrophobicContact CG-CD1 3.63Å
443I93.2Very high89.9Confident0 Ų025.3 Ų25.30%012%0.124CC..Hα-helixtrans-62.8-52.4171.6-66.8172.6000109.3L439 F440 L441 A445 G446 V451 P474 V477 A478 L481 I489 L493L439-I443 HydrophobicContact CD1-CD1 4.17Å; L439-I443 HydrophobicContact CD2-CD1 4.42Å; L439-I443 HydrophobicContact CG-CD1 3.8Å; L439-I443 WeakPolarHBondContact O-CD1 3.39Å; L439-I443 VanDerWaalsContact O-CG1 3.25Å; L439-I443 WeakPolarHBondContact O-CG1 2.88Å; F440-I443 PolarHBondContact O-N 3.16Å; L441-I443 VanDerWaalsContact C-N 3.32Å; L441-I443 PolarHBondContact O-N 3.1Å; I443-A445 PolarHBondContact O-N 3.21Å; I443-G446 PolarHBondContact O-N 3.21Å; I443-V451 HydrophobicContact CG1-CG1 4.46Å; I443-V451 HydrophobicContact CG1-CG2 3.7Å; I443-P474 HydrophobicContact CD1-CB 3.67Å; I443-V477 HydrophobicContact CG2-CB 4.13Å; I443-V477 HydrophobicContact CG2-CG1 3.88Å; I443-A478 HydrophobicContact CG2-CB 4.04Å; I443-L481 HydrophobicContact CG2-CD1 3.92Å; I443-L481 WeakPolarHBondContact O-CD1 3.3Å; I443-I489 HydrophobicContact CG1-CG2 4.01Å; I443-I489 HydrophobicContact CG2-CG2 4.25Å; I443-L493 HydrophobicContact CD1-CD1 4.06Å; I443-L493 HydrophobicContact CD1-CD2 4.45Å
444M90.3Very high90.6Very high2 Ų220.1 Ų20.11%0.0110%0.104CC..Hα-helixtrans-58.5-32.8179.7-71175.772.500112.7L343 R344 I348 M436 F440 L441 V477L343-M444 HydrophobicContact CB-CB 4.26Å; L343-M444 HydrophobicContact CB-CE 4.27Å; L343-M444 HydrophobicContact CD1-CE 3.83Å; L343-M444 HydrophobicContact CD1-SD 4.44Å; L343-M444 HydrophobicContact CD2-CB 3.91Å; L343-M444 HydrophobicContact CG-CB 4.48Å; R344-M444 WeakPolarHBondContact CB-O 3.25Å; R344-M444 PolarHBondContact N-O 3.02Å; I348-M444 HydrophobicContact CB-CE 3.82Å; I348-M444 HydrophobicContact CB-SD 4.48Å; I348-M444 HydrophobicContact CD1-CE 4.13Å; I348-M444 HydrophobicContact CD1-CG 4.45Å; I348-M444 HydrophobicContact CD1-SD 3.71Å; I348-M444 HydrophobicContact CG2-CE 4.2Å; M436-M444 HydrophobicContact SD-SD 4.12Å; F440-M444 WeakPolarHBondContact O-CB 3.32Å; F440-M444 VanDerWaalsContact O-CG 3.26Å; F440-M444 WeakPolarHBondContact O-CG 3.4Å; F440-M444 PolarHBondContact O-N 3.42Å; L441-M444 PolarHBondContact O-N 2.83Å; M444-V477 HydrophobicContact CG-CG1 3.68Å
445A90.1Very high91.4Very high13 Ų1320.4 Ų20.411%0.10711%0.106CC..Hα-helixtrans-78.4-17.7174.700000114Y338 L343 R344 L441 P442 I443Y338-A445 HydrophobicContact CD1-CB 3.42Å; Y338-A445 VanDerWaalsContact CD1-CB 3.42Å; Y338-A445 HydrophobicContact CE1-CB 3.48Å; Y338-A445 VanDerWaalsContact CE1-CB 3.48Å; Y338-A445 HydrophobicContact CG-CB 4.4Å; L343-A445 HydrophobicContact CD2-CB 4.25Å; R344-A445 PolarHBondContact NE-O 3.02Å; L441-A445 WeakPolarHBondContact O-CB 3.5Å; L441-A445 PolarHBondContact O-N 2.68Å; P442-A445 PolarHBondContact O-N 2.84Å; I443-A445 PolarHBondContact O-N 3.21Å
446G90.6Very high92.2Very high9 Ų926.3 Ų26.39%0.09313%0.134CC..THydrogen-bonded Turntrans76.125.6-173.900000114.1P442 I443 T448P442-G446 PolarHBondContact O-N 3.14Å; I443-G446 PolarHBondContact O-N 3.21Å; G446-T448 PolarHBondContact O-N 3.41Å
447D92.5Very high92.5Very high30 Ų3028 Ų2816%0.1615%0.146CC..  trans-85.194.3-179.3-169.6-31.5000110.9Y338 P442 E449 V450 V451Y338-D447 HydrophobicContact CE1-CB 4.08Å; Y338-D447 VanDerWaalsContact OH-CB 3.31Å; Y338-D447 WeakPolarHBondContact OH-CB 3.47Å; Y338-D447 PolarHBondContact OH-OD2 3.01Å; Y338-D447 VanDerWaalsContact OH-OD2 3.11Å; P442-D447 HydrophobicContact CB-CB 4.47Å; P442-D447 PolarHBondContact O-N 3.07Å; D447-E449 VanDerWaalsContact C-N 3.32Å; D447-E449 PolarHBondContact O-N 3.19Å; D447-E449 PolarHBondContact OD1-N 3.17Å; D447-E449 VanDerWaalsContact OD1-N 3.17Å; D447-V450 HydrophobicContact CB-CB 4.41Å; D447-V450 PolarHBondContact OD1-N 3.26Å; D447-V450 WeakPolarHBondContact OD2-CG2 3.31Å; D447-V451 VanDerWaalsContact O-CG2 3.23Å; D447-V451 WeakPolarHBondContact O-CG2 3.23Å; D447-V451 PolarHBondContact O-N 2.88Å; D447-V451 VanDerWaalsContact O-N 3.11Å
448T94.4Very high92.6Very high37 Ų3729.4 Ų29.423%0.22716%0.163CC..Hα-helixtrans-65.5-33.3-177.954.70000112.8G446 H452 E485 Q488 I489G446-T448 PolarHBondContact O-N 3.41Å; T448-H452 WeakPolarHBondContact O-CB 3.06Å; T448-H452 PolarHBondContact O-N 2.82Å; T448-E485 HydrophobicContact CG2-CB 4.17Å; T448-E485 HydrophobicContact CG2-CG 4.49Å; T448-Q488 HydrophobicContact CG2-CB 4.01Å; T448-I489 HydrophobicContact CG2-CD1 4.26Å; T448-I489 HydrophobicContact CG2-CG1 3.84Å
449E93.4Very high92.7Very high117 Ų11729.8 Ų29.855%0.54717%0.166SC..Hα-helixtrans-66.2-49-179.9-70-166.5-172.800111.4K420 D447 H452 K453K420-E449 IonicContact NZ-OE2 2.72Å; K420-E449 PolarHBondContact NZ-OE2 3.4Å; D447-E449 VanDerWaalsContact C-N 3.32Å; D447-E449 PolarHBondContact O-N 3.19Å; D447-E449 PolarHBondContact OD1-N 3.17Å; D447-E449 VanDerWaalsContact OD1-N 3.17Å; E449-H452 PolarHBondContact O-N 3.5Å; E449-K453 PolarHBondContact O-N 3.41Å
450V93.7Very high92.6Very high1 Ų135.7 Ų35.71%0.00619%0.188CC..Hα-helixtrans-69.9-39.9-178.5175.70000110.6Y337 Y338 L416 L419 P442 D447 H452 K453 L454Y337-V450 HydrophobicContact CE1-CG2 4.39Å; Y338-V450 WeakPolarHBondContact OH-CB 3.47Å; Y338-V450 WeakPolarHBondContact OH-CG2 3.32Å; L416-V450 HydrophobicContact CD1-CG2 3.56Å; L419-V450 HydrophobicContact CD1-CG1 4.41Å; L419-V450 HydrophobicContact CD2-CG1 3.96Å; P442-V450 HydrophobicContact CB-CB 4.15Å; P442-V450 HydrophobicContact CB-CG1 3.85Å; P442-V450 HydrophobicContact CG-CG1 4.28Å; D447-V450 HydrophobicContact CB-CB 4.41Å; D447-V450 PolarHBondContact OD1-N 3.26Å; D447-V450 WeakPolarHBondContact OD2-CG2 3.31Å; V450-H452 VanDerWaalsContact C-N 3.32Å; V450-H452 PolarHBondContact O-N 2.92Å; V450-K453 PolarHBondContact O-N 2.98Å; V450-L454 HydrophobicContact CG1-CD1 3.85Å; V450-L454 HydrophobicContact CG1-CG 4.22Å; V450-L454 WeakPolarHBondContact O-CB 3.43Å; V450-L454 VanDerWaalsContact O-CG 3.28Å; V450-L454 WeakPolarHBondContact O-CG 2.87Å; V450-L454 PolarHBondContact O-N 3.46Å
451V94.9Very high92.5Very high0 Ų036.5 Ų36.50%019%0.193CC..Hα-helixtrans-58.1-46.1173.6174.50000110.7L439 P442 I443 D447 K453 L454 L455 I489 M492L439-V451 HydrophobicContact CD1-CG1 4.33Å; P442-V451 HydrophobicContact CB-CG2 3.9Å; P442-V451 HydrophobicContact CG-CG2 4.19Å; I443-V451 HydrophobicContact CG1-CG1 4.46Å; I443-V451 HydrophobicContact CG1-CG2 3.7Å; D447-V451 VanDerWaalsContact O-CG2 3.23Å; D447-V451 WeakPolarHBondContact O-CG2 3.23Å; D447-V451 PolarHBondContact O-N 2.88Å; D447-V451 VanDerWaalsContact O-N 3.11Å; V451-K453 VanDerWaalsContact C-N 3.33Å; V451-K453 PolarHBondContact O-N 3.38Å; V451-L454 PolarHBondContact O-N 3.22Å; V451-L455 HydrophobicContact CG1-CD1 3.96Å; V451-L455 HydrophobicContact CG1-CG 4.37Å; V451-L455 WeakPolarHBondContact O-CG 3.5Å; V451-L455 PolarHBondContact O-N 3.17Å; V451-I489 HydrophobicContact CG1-CG2 4.24Å; V451-I489 HydrophobicContact CG2-CD1 4.34Å; V451-I489 HydrophobicContact CG2-CG1 4.42Å; V451-M492 HydrophobicContact CB-CE 4.21Å; V451-M492 HydrophobicContact CG1-CE 3.89Å
452H94.6Very high92.3Very high97 Ų9740.4 Ų40.445%0.44922%0.215SC..Hα-helixtrans-59.6-46.8179.4-172.768.5000111.3T448 E449 V450 L454 L455 M456 M492T448-H452 WeakPolarHBondContact O-CB 3.06Å; T448-H452 PolarHBondContact O-N 2.82Å; E449-H452 PolarHBondContact O-N 3.5Å; V450-H452 VanDerWaalsContact C-N 3.32Å; V450-H452 PolarHBondContact O-N 2.92Å; H452-L454 PolarHBondContact O-N 2.89Å; H452-L455 PolarHBondContact O-N 3.38Å; H452-M456 WeakPolarHBondContact O-CG 3.32Å; H452-M456 PolarHBondContact O-N 2.64Å; H452-M492 HydrophobicContact CB-CE 3.33Å; H452-M492 VanDerWaalsContact N-CE 3.25Å
453K94.3Very high92Very high63 Ų6342 Ų4227%0.27422%0.223SC..Hα-helixtrans-62.7-42.8-179.8-173.763.4177179.20111.9L423 D424 E449 V450 V451 M456 C457L423-K453 HydrophobicContact CB-CG 4.49Å; L423-K453 HydrophobicContact CD1-CB 4.42Å; L423-K453 HydrophobicContact CD1-CG 3.68Å; D424-K453 WeakPolarHBondContact OD1-CE 3.4Å; D424-K453 IonicContact OD1-NZ 3.22Å; D424-K453 PolarHBondContact OD1-NZ 2.91Å; E449-K453 PolarHBondContact O-N 3.41Å; V450-K453 PolarHBondContact O-N 2.98Å; V451-K453 VanDerWaalsContact C-N 3.33Å; V451-K453 PolarHBondContact O-N 3.38Å; K453-M456 PolarHBondContact O-N 3.17Å; K453-C457 PolarHBondContact O-N 3.45Å; K453-C457 VanDerWaalsContact O-N 3.09Å; K453-C457 PolarHBondContact O-SG 3.38Å
454L94.9Very high91.7Very high0 Ų045.2 Ų45.20%024%0.235CC..Hα-helixtrans-63.1-43.5177.9-72169.8000111.8L423 P429 V438 L439 P442 V450 V451 H452 M456 C457 G458 A459L423-L454 HydrophobicContact CD1-CD2 3.77Å; L423-L454 HydrophobicContact CD1-CG 4.29Å; L423-L454 HydrophobicContact CD2-CD2 3.81Å; L423-L454 HydrophobicContact CG-CD2 4.43Å; P429-L454 HydrophobicContact CB-CD2 3.7Å; V438-L454 HydrophobicContact CG1-CD1 4.33Å; V438-L454 HydrophobicContact CG1-CD2 4.09Å; L439-L454 HydrophobicContact CD1-CB 4.22Å; L439-L454 HydrophobicContact CD1-CD1 4.26Å; P442-L454 HydrophobicContact CG-CD1 3.63Å; V450-L454 HydrophobicContact CG1-CD1 3.85Å; V450-L454 HydrophobicContact CG1-CG 4.22Å; V450-L454 WeakPolarHBondContact O-CB 3.43Å; V450-L454 VanDerWaalsContact O-CG 3.28Å; V450-L454 WeakPolarHBondContact O-CG 2.87Å; V450-L454 PolarHBondContact O-N 3.46Å; V451-L454 PolarHBondContact O-N 3.22Å; H452-L454 PolarHBondContact O-N 2.89Å; L454-M456 PolarHBondContact O-N 2.92Å; L454-C457 CarbonylContact O-C 3.57Å; L454-C457 PolarHBondContact O-N 3.31Å; L454-C457 VanDerWaalsContact O-N 3.08Å; L454-G458 PolarHBondContact O-N 3.45Å; L454-A459 HydrophobicContact CB-CB 3.95Å; L454-A459 WeakPolarHBondContact O-CB 3.08Å; L454-A459 PolarHBondContact O-N 3.2Å
455L93.8Very high91.4Very high22 Ų2245.3 Ų45.312%0.11524%0.235CC..Hα-helixtrans-62.3-41.8176.4-67.9173.5000111.8L439 V451 H452 C457 G458 A459 T461 M492 L493 A496L439-L455 HydrophobicContact CD2-CD2 4.4Å; V451-L455 HydrophobicContact CG1-CD1 3.96Å; V451-L455 HydrophobicContact CG1-CG 4.37Å; V451-L455 WeakPolarHBondContact O-CG 3.5Å; V451-L455 PolarHBondContact O-N 3.17Å; H452-L455 PolarHBondContact O-N 3.38Å; L455-C457 PolarHBondContact O-N 2.9Å; L455-G458 PolarHBondContact O-N 3.2Å; L455-G458 VanDerWaalsContact O-N 3.08Å; L455-A459 HydrophobicContact CD2-CB 4.5Å; L455-T461 HydrophobicContact CD2-CG2 3.55Å; L455-M492 HydrophobicContact CD1-CB 4.12Å; L455-M492 HydrophobicContact CD1-CE 4.32Å; L455-L493 HydrophobicContact CD1-CD2 4.23Å; L455-L493 HydrophobicContact CD2-CD2 4.08Å; L455-A496 HydrophobicContact CD2-CB 4.37Å
456M92.6Very high90.9Very high131 Ų13147.3 Ų47.365%0.64525%0.247SC*.Hα-helixtrans-63.7-25.5174.3-68-62.199.400113.2H452 K453 L454 G458H452-M456 WeakPolarHBondContact O-CG 3.32Å; H452-M456 PolarHBondContact O-N 2.64Å; K453-M456 PolarHBondContact O-N 3.17Å; L454-M456 PolarHBondContact O-N 2.92Å; M456-G458 VanDerWaalsContact C-N 3.32Å
457C92.6Very high90Very high40 Ų4053 Ų5327%0.2727%0.273SS..THydrogen-bonded Turntrans-91.513.4175.9-56.70000113L423 P429 K453 L454 L455L423-C457 HydrophobicContact CD2-CB 4.24Å; P429-C457 WeakPolarHBondContact CD-O 3.32Å; K453-C457 PolarHBondContact O-N 3.45Å; K453-C457 VanDerWaalsContact O-N 3.09Å; K453-C457 PolarHBondContact O-SG 3.38Å; L454-C457 CarbonylContact O-C 3.57Å; L454-C457 PolarHBondContact O-N 3.31Å; L454-C457 VanDerWaalsContact O-N 3.08Å; L455-C457 PolarHBondContact O-N 2.9Å
458G91Very high89Confident46 Ų4659.1 Ų59.147%0.47430%0.298SS..THydrogen-bonded Turntrans85.324174.800000115.1N430 L454 L455 M456 R460N430-G458 PolarHBondContact ND2-O 2.86Å; L454-G458 PolarHBondContact O-N 3.45Å; L455-G458 PolarHBondContact O-N 3.2Å; L455-G458 VanDerWaalsContact O-N 3.08Å; M456-G458 VanDerWaalsContact C-N 3.32Å; G458-R460 PolarHBondContact O-N 2.99Å
459A92.3Very high88Confident9 Ų958.8 Ų58.87%0.07430%0.295CS..  trans-60.9125.1172.400000110.9P429 L439 L454 L455P429-A459 HydrophobicContact CB-CB 3.88Å; P429-A459 VanDerWaalsContact CG-CA 3.48Å; P429-A459 HydrophobicContact CG-CB 3.7Å; L439-A459 HydrophobicContact CD1-CB 4.3Å; L439-A459 HydrophobicContact CD2-CB 4.27Å; L454-A459 HydrophobicContact CB-CB 3.95Å; L454-A459 WeakPolarHBondContact O-CB 3.08Å; L454-A459 PolarHBondContact O-N 3.2Å; L455-A459 HydrophobicContact CD2-CB 4.5Å
460R89.6Confident87.4Confident128 Ų12856.3 Ų56.348%0.48328%0.282SS..  trans-74.1130.1-179.5-74.717963172.92.8111.2N430 L439 G458 D462 I463N430-R460 VanDerWaalsContact OD1-CB 3.31Å; N430-R460 WeakPolarHBondContact OD1-CB 3.22Å; N430-R460 WeakPolarHBondContact OD1-CG 3.39Å; N430-R460 PolarHBondContact OD1-N 3.4Å; L439-R460 WeakPolarHBondContact CD2-O 3.35Å; G458-R460 PolarHBondContact O-N 2.99Å; R460-D462 WeakPolarHBondContact CB-OD1 3.37Å; R460-D462 IonicContact CZ-OD1 3.21Å; R460-D462 IonicContact CZ-OD2 3.23Å; R460-D462 IonicContact NE-OD1 3.96Å; R460-D462 PolarHBondContact NE-OD1 3.45Å; R460-D462 IonicContact NE-OD2 3.83Å; R460-D462 VanDerWaalsContact NH2-CG 3.28Å; R460-D462 IonicContact NH2-OD1 2.69Å; R460-D462 PolarHBondContact NH2-OD1 2.96Å; R460-D462 IonicContact NH2-OD2 3.13Å; R460-D462 PolarHBondContact NH2-OD2 2.98Å; R460-I463 HydrophobicContact CB-CD1 3.58Å; R460-I463 HydrophobicContact CB-CG1 3.54Å
461T89.8Confident87Confident18 Ų1856.2 Ų56.211%0.1128%0.282CS..SBendtrans-93.3-12.1178.153.60000113.1L439 L455 I463 P474 L493 A496 I497L439-T461 HydrophobicContact CD2-CG2 4.48Å; L455-T461 HydrophobicContact CD2-CG2 3.55Å; T461-I463 VanDerWaalsContact C-N 3.33Å; T461-P474 WeakPolarHBondContact O-CD 3.46Å; T461-L493 HydrophobicContact CG2-CD2 3.67Å; T461-A496 HydrophobicContact CG2-CB 3.97Å; T461-I497 VanDerWaalsContact CB-CG1 3.49Å; T461-I497 HydrophobicContact CG2-CG1 4.17Å; T461-I497 VanDerWaalsContact OG1-CG1 3.31Å; T461-I497 WeakPolarHBondContact OG1-CG1 3.45Å
462D87.4Confident86.7Confident86 Ų8656.2 Ų56.246%0.4628%0.282SS..SBendtrans-90.47.2177.471.2-30.6000113.1R460 Y473R460-D462 WeakPolarHBondContact CB-OD1 3.37Å; R460-D462 IonicContact CZ-OD1 3.21Å; R460-D462 IonicContact CZ-OD2 3.23Å; R460-D462 IonicContact NE-OD1 3.96Å; R460-D462 PolarHBondContact NE-OD1 3.45Å; R460-D462 IonicContact NE-OD2 3.83Å; R460-D462 VanDerWaalsContact NH2-CG 3.28Å; R460-D462 IonicContact NH2-OD1 2.69Å; R460-D462 PolarHBondContact NH2-OD1 2.96Å; R460-D462 IonicContact NH2-OD2 3.13Å; R460-D462 PolarHBondContact NH2-OD2 2.98Å; D462-Y473 WeakPolarHBondContact O-CE1 3.27Å
463I86.7Confident86.6Confident33 Ų3354 Ų5417%0.16927%0.27CS..  trans-75.4134.8177.1-55.5167.9000110N430 P437 R460 T461 P474N430-I463 WeakPolarHBondContact OD1-CD1 3.43Å; P437-I463 HydrophobicContact CB-CD1 4.12Å; P437-I463 HydrophobicContact CB-CG2 4.21Å; P437-I463 HydrophobicContact CG-CB 4.41Å; P437-I463 HydrophobicContact CG-CD1 4.49Å; P437-I463 HydrophobicContact CG-CG2 3.46Å; P437-I463 VanDerWaalsContact CG-CG2 3.46Å; R460-I463 HydrophobicContact CB-CD1 3.58Å; R460-I463 HydrophobicContact CB-CG1 3.54Å; T461-I463 VanDerWaalsContact C-N 3.33Å; I463-P474 WeakPolarHBondContact O-CD 3.39Å
464R85.6Confident86.6Confident67 Ų6751 Ų5125%0.25326%0.257SS..  trans-109.2138179.8-165.8179.2173.3-133-33.1111.5M467 G471 Y473 C505R464-M467 PolarHBondContact NH1-SD 3.49Å; R464-M467 PolarHBondContact NH2-SD 3.4Å; R464-G471 WeakPolarHBondContact CG-O 3.49Å; R464-G471 PolarHBondContact NE-O 3.14Å; R464-G471 VanDerWaalsContact NH2-CA 3.28Å; R464-Y473 HydrophobicContact CB-CD1 4.5Å; R464-Y473 HydrophobicContact CB-CE1 4.13Å; R464-Y473 HydrophobicContact CG-CD2 4.41Å; R464-Y473 HydrophobicContact CG-CE2 4.08Å; R464-C505 PolarHBondContact NH1-SG 2.98Å; R464-C505 PolarHBondContact NH2-SG 3.1Å
465L84.8Confident86.5Confident5 Ų551.3 Ų51.33%0.02626%0.258CS..  trans-63.4160169.6-68.7178.7000111.7I348 M436 F440 N469 G471 F472I348-L465 HydrophobicContact CD1-CD1 3.42Å; I348-L465 VanDerWaalsContact CD1-CD1 3.42Å; I348-L465 HydrophobicContact CG1-CD1 3.99Å; M436-L465 HydrophobicContact CB-CD2 3.76Å; F440-L465 HydrophobicContact CD1-CD1 3.95Å; F440-L465 HydrophobicContact CD1-CD2 4.04Å; F440-L465 HydrophobicContact CD1-CG 4.05Å; F440-L465 HydrophobicContact CD2-CD2 3.91Å; F440-L465 HydrophobicContact CE1-CD1 3.71Å; F440-L465 HydrophobicContact CE1-CD2 3.95Å; F440-L465 HydrophobicContact CE1-CG 3.55Å; F440-L465 HydrophobicContact CE2-CD2 3.81Å; F440-L465 HydrophobicContact CE2-CG 4.1Å; F440-L465 HydrophobicContact CG-CD2 4.02Å; F440-L465 HydrophobicContact CZ-CD1 4.27Å; F440-L465 HydrophobicContact CZ-CD2 3.83Å; F440-L465 HydrophobicContact CZ-CG 3.58Å; L465-N469 HydrophobicContact CB-CB 4.15Å; L465-N469 HydrophobicContact CD1-CB 4.44Å; L465-G471 WeakPolarHBondContact O-CA 3.32Å; L465-F472 HydrophobicContact CD1-CB 4.36Å; L465-F472 PolarHBondContact N-O 2.62Å
466P79.4Confident86.5Confident54 Ų5450.4 Ų50.435%0.35125%0.253SS..  trans-54.7151.2174.5-25.635000112.5K468 N469 G471P466-K468 PolarHBondContact O-N 3.11Å; P466-K468 VanDerWaalsContact O-N 3.12Å; P466-N469 CarbonylContact O-C 3.53Å; P466-N469 WeakPolarHBondContact O-CA 3.28Å; P466-N469 PolarHBondContact O-N 3.21Å; P466-G471 PolarHBondContact O-N 3.02Å
467M72.3Confident86.5Confident129 Ų12944.1 Ų44.164%0.63522%0.223SC*.G310 helixtrans-54.1-34.8179.7-67.4-72.5-17300113R464 N469 K470 C505R464-M467 PolarHBondContact NH1-SD 3.49Å; R464-M467 PolarHBondContact NH2-SD 3.4Å; M467-N469 PolarHBondContact O-N 2.94Å; M467-K470 WeakPolarHBondContact O-CA 3.22Å; M467-K470 PolarHBondContact O-N 3.01Å; M467-C505 HydrophobicContact SD-CB 3.78Å; M467-C505 VanDerWaalsContact SD-SG 3.66Å
468K71.5Confident86.6Confident159 Ų15942.2 Ų42.269%0.69121%0.21SC*.G310 helixtrans-57.6-30.1174.6-67.3-173.8176.8-1740112.8P466 K470P466-K468 PolarHBondContact O-N 3.11Å; P466-K468 VanDerWaalsContact O-N 3.12Å; K468-K470 VanDerWaalsContact C-N 3.3Å
469N73.2Confident86.7Confident29 Ų2940 Ų4016%0.15519%0.187CC..G310 helixtrans-100.233.7177.3-60.96.2000110.6F137 L465 P466 M467 G471 F472F137-N469 WeakPolarHBondContact CD1-ND2 3.45Å; F137-N469 WeakPolarHBondContact CE1-ND2 3.43Å; L465-N469 HydrophobicContact CB-CB 4.15Å; L465-N469 HydrophobicContact CD1-CB 4.44Å; P466-N469 CarbonylContact O-C 3.53Å; P466-N469 WeakPolarHBondContact O-CA 3.28Å; P466-N469 PolarHBondContact O-N 3.21Å; M467-N469 PolarHBondContact O-N 2.94Å; N469-G471 PolarHBondContact O-N 3.5Å; N469-F472 WeakPolarHBondContact O-CD2 3.29Å
470K80.5Confident86.7Confident65 Ų6540 Ų4028%0.28319%0.187SC..THydrogen-bonded Turntrans59.58.5179.1-47.6-179.1-168.6-170.20113.9M467 K468 F472 C505 D506 E509M467-K470 WeakPolarHBondContact O-CA 3.22Å; M467-K470 PolarHBondContact O-N 3.01Å; K468-K470 VanDerWaalsContact C-N 3.3Å; K470-F472 HydrophobicContact CB-CD2 4.17Å; K470-F472 HydrophobicContact CB-CE1 4.33Å; K470-F472 HydrophobicContact CB-CE2 3.71Å; K470-F472 HydrophobicContact CB-CZ 3.8Å; K470-F472 HydrophobicContact CD-CE2 3.79Å; K470-F472 HydrophobicContact CD-CZ 3.67Å; K470-F472 HydrophobicContact CG-CE2 4.14Å; K470-F472 HydrophobicContact CG-CZ 4.29Å; K470-F472 PolarHBondContact O-N 3.33Å; K470-C505 PolarHBondContact O-N 3.13Å; K470-D506 HydrophobicContact CB-CB 4.37Å; K470-D506 HydrophobicContact CD-CB 4.42Å; K470-E509 WeakPolarHBondContact CD-OE1 3.46Å; K470-E509 WeakPolarHBondContact CE-OE1 3.46Å; K470-E509 IonicContact NZ-OE1 3.85Å; K470-E509 PolarHBondContact NZ-OE1 3.11Å; K470-E509 IonicContact NZ-OE2 3.65Å; K470-E509 PolarHBondContact NZ-OE2 3.48Å
471G84.9Confident86.8Confident0 Ų034 Ų340%017%0.165CC..THydrogen-bonded Turntrans30.967.1-166.100000115.3R464 L465 P466 N469R464-G471 WeakPolarHBondContact CG-O 3.49Å; R464-G471 PolarHBondContact NE-O 3.14Å; R464-G471 VanDerWaalsContact NH2-CA 3.28Å; L465-G471 WeakPolarHBondContact O-CA 3.32Å; P466-G471 PolarHBondContact O-N 3.02Å; N469-G471 PolarHBondContact O-N 3.5Å
472F89.6Confident86.7Confident0 Ų036.7 Ų36.70%018%0.176CC..  trans-67.8152.6167.1-65-60.7000111.7L347 I348 L465 N469 K470 H476 V477 A504 I558L347-F472 HydrophobicContact CB-CD2 4.49Å; L347-F472 HydrophobicContact CB-CE2 4.08Å; L347-F472 HydrophobicContact CD1-CZ 4.48Å; L347-F472 HydrophobicContact CD2-CZ 4.23Å; I348-F472 HydrophobicContact CG1-CD2 4.45Å; L465-F472 HydrophobicContact CD1-CB 4.36Å; L465-F472 PolarHBondContact N-O 2.62Å; N469-F472 WeakPolarHBondContact O-CD2 3.29Å; K470-F472 HydrophobicContact CB-CD2 4.17Å; K470-F472 HydrophobicContact CB-CE1 4.33Å; K470-F472 HydrophobicContact CB-CE2 3.71Å; K470-F472 HydrophobicContact CB-CZ 3.8Å; K470-F472 HydrophobicContact CD-CE2 3.79Å; K470-F472 HydrophobicContact CD-CZ 3.67Å; K470-F472 HydrophobicContact CG-CE2 4.14Å; K470-F472 HydrophobicContact CG-CZ 4.29Å; K470-F472 PolarHBondContact O-N 3.33Å; F472-H476 HydrophobicContact CB-CB 4.07Å; F472-H476 HydrophobicContact CD1-CB 3.85Å; F472-H476 HydrophobicContact CG-CB 4.34Å; F472-V477 HydrophobicContact CB-CG2 4.12Å; F472-A504 HydrophobicContact CD1-CB 3.88Å; F472-A504 HydrophobicContact CE1-CB 3.99Å; F472-I558 HydrophobicContact CD1-CD1 4.3Å; F472-I558 HydrophobicContact CE1-CD1 4.1Å
473Y92.2Very high86.8Confident51 Ų5133.5 Ų33.520%0.216%0.163CC..  trans-97.7161.1168.2-65.6-100.9000109.7D462 R464 L475 H476 V477D462-Y473 WeakPolarHBondContact O-CE1 3.27Å; R464-Y473 HydrophobicContact CB-CD1 4.5Å; R464-Y473 HydrophobicContact CB-CE1 4.13Å; R464-Y473 HydrophobicContact CG-CD2 4.41Å; R464-Y473 HydrophobicContact CG-CE2 4.08Å; Y473-L475 PolarHBondContact O-N 2.91Å; Y473-L475 VanDerWaalsContact O-N 3.12Å; Y473-H476 WeakPolarHBondContact CB-ND1 3.22Å; Y473-H476 AromaticContact CD2-CE1 3.52Å; Y473-H476 AromaticContact CD2-ND1 3.56Å; Y473-H476 AromaticContact CG-ND1 3.95Å; Y473-H476 PolarHBondContact N-ND1 2.78Å; Y473-H476 VanDerWaalsContact N-ND1 3.18Å; Y473-H476 WeakPolarHBondContact O-CB 3.25Å; Y473-H476 PolarHBondContact O-N 3.37Å; Y473-V477 PolarHBondContact O-N 3.16Å
474P93.4Very high87Confident0 Ų034.6 Ų34.60%017%0.173CC..Hα-helixtrans-46.8-41.9174.5-32.837.3000113.5L439 F440 I443 T461 I463 H476 V477 A478 L493L439-P474 HydrophobicContact CD2-CB 4.11Å; L439-P474 HydrophobicContact CD2-CG 3.9Å; F440-P474 HydrophobicContact CE1-CG 4.44Å; F440-P474 HydrophobicContact CE2-CG 4.15Å; F440-P474 HydrophobicContact CZ-CG 3.93Å; I443-P474 HydrophobicContact CD1-CB 3.67Å; T461-P474 WeakPolarHBondContact O-CD 3.46Å; I463-P474 WeakPolarHBondContact O-CD 3.39Å; P474-H476 PolarHBondContact O-N 3.46Å; P474-V477 PolarHBondContact O-N 2.78Å; P474-A478 WeakPolarHBondContact O-CB 3.5Å; P474-A478 PolarHBondContact O-N 3.13Å; P474-L493 HydrophobicContact CB-CD1 4.13Å; P474-L493 HydrophobicContact CB-CD2 4.2Å
475L94.3Very high87.4Confident6 Ų633.7 Ų33.73%0.03117%0.172CC..Hα-helixtrans-63.3-38.2179.4-170.265.3000113.1Y473 V477 A478 A479 T490 L493 L494 I497 A555 L576Y473-L475 PolarHBondContact O-N 2.91Å; Y473-L475 VanDerWaalsContact O-N 3.12Å; L475-V477 VanDerWaalsContact C-N 3.34Å; L475-A478 PolarHBondContact O-N 3.31Å; L475-A479 WeakPolarHBondContact O-CB 3.47Å; L475-A479 PolarHBondContact O-N 3.29Å; L475-T490 HydrophobicContact CD1-CG2 3.87Å; L475-L493 HydrophobicContact CD1-CB 4.14Å; L475-L494 HydrophobicContact CD1-CD2 4.1Å; L475-L494 HydrophobicContact CD1-CG 4.09Å; L475-L494 HydrophobicContact CD2-CD2 4.08Å; L475-I497 HydrophobicContact CB-CD1 3.87Å; L475-I497 HydrophobicContact CD1-CD1 4.2Å; L475-I497 HydrophobicContact CD2-CD1 4.07Å; L475-I497 HydrophobicContact CG-CD1 4.27Å; L475-A555 HydrophobicContact CB-CB 4.46Å; L475-A555 HydrophobicContact CD2-CB 3.81Å; L475-A555 HydrophobicContact CG-CB 3.67Å; L475-L576 HydrophobicContact CD1-CD2 4.34Å; L475-L576 HydrophobicContact CD2-CD2 4.05Å; L475-L576 HydrophobicContact CG-CD2 4.39Å
476H93.4Very high87.7Confident2 Ų233.4 Ų33.41%0.00917%0.171CC..Hα-helixtrans-63.4-42.9175.7-67.5102.5000111.5F472 Y473 P474 A480 S502 R553 T554 A555 I558F472-H476 HydrophobicContact CB-CB 4.07Å; F472-H476 HydrophobicContact CD1-CB 3.85Å; F472-H476 HydrophobicContact CG-CB 4.34Å; Y473-H476 WeakPolarHBondContact CB-ND1 3.22Å; Y473-H476 AromaticContact CD2-CE1 3.52Å; Y473-H476 AromaticContact CD2-ND1 3.56Å; Y473-H476 AromaticContact CG-ND1 3.95Å; Y473-H476 PolarHBondContact N-ND1 2.78Å; Y473-H476 VanDerWaalsContact N-ND1 3.18Å; Y473-H476 WeakPolarHBondContact O-CB 3.25Å; Y473-H476 PolarHBondContact O-N 3.37Å; P474-H476 PolarHBondContact O-N 3.46Å; H476-A480 PolarHBondContact O-N 3Å; H476-S502 PolarHBondContact CE1-O 3Å; H476-S502 PolarHBondContact NE2-O 3.23Å; H476-R553 PolarHBondContact NE2-O 2.95Å; H476-R553 VanDerWaalsContact NE2-O 3.11Å; H476-T554 VanDerWaalsContact CD2-C 3.46Å; H476-T554 WeakPolarHBondContact NE2-CA 3.03Å; H476-A555 PolarHBondContact CD2-N 3.42Å; H476-A555 VanDerWaalsContact CD2-N 3.34Å; H476-A555 PolarHBondContact NE2-N 3.12Å; H476-I558 HydrophobicContact CB-CD1 3.54Å
477V92.5Very high88.3Confident0 Ų031 Ų310%016%0.155CC..Hα-helixtrans-68.6-42.8-179.8-176.10000110.4I348 F440 I443 M444 F472 Y473 P474 L475 A480 L481I348-V477 HydrophobicContact CD1-CG1 4.44Å; I348-V477 HydrophobicContact CD1-CG2 3.88Å; F440-V477 HydrophobicContact CD1-CG2 3.91Å; F440-V477 HydrophobicContact CE1-CG2 3.79Å; I443-V477 HydrophobicContact CG2-CB 4.13Å; I443-V477 HydrophobicContact CG2-CG1 3.88Å; M444-V477 HydrophobicContact CG-CG1 3.68Å; F472-V477 HydrophobicContact CB-CG2 4.12Å; Y473-V477 PolarHBondContact O-N 3.16Å; P474-V477 PolarHBondContact O-N 2.78Å; L475-V477 VanDerWaalsContact C-N 3.34Å; V477-A480 PolarHBondContact O-N 3.41Å; V477-L481 WeakPolarHBondContact O-CG 3.48Å
478A94.1Very high89.4Confident0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-61.3-44.3176.300000112.5I443 P474 L475 A480 L481 I489 L493I443-A478 HydrophobicContact CG2-CB 4.04Å; P474-A478 WeakPolarHBondContact O-CB 3.5Å; P474-A478 PolarHBondContact O-N 3.13Å; L475-A478 PolarHBondContact O-N 3.31Å; A478-A480 PolarHBondContact O-N 3.16Å; A478-L481 WeakPolarHBondContact O-CB 3.46Å; A478-L481 PolarHBondContact O-N 3.35Å; A478-I489 HydrophobicContact CB-CB 4.46Å; A478-I489 HydrophobicContact CB-CG2 3.7Å; A478-L493 HydrophobicContact CB-CD1 3.64Å
479A93.4Very high90.6Very high0 Ų021.4 Ų21.40%011%0.111CC..Hα-helixtrans-61.1-28.7178.900000113.1L475 A555 I558 A559 R562 V572L475-A479 WeakPolarHBondContact O-CB 3.47Å; L475-A479 PolarHBondContact O-N 3.29Å; A479-A555 HydrophobicContact CB-CB 4.23Å; A479-I558 HydrophobicContact CB-CG2 4.29Å; A479-A559 HydrophobicContact CB-CB 4.45Å; A479-R562 WeakPolarHBondContact O-CD 3.45Å; A479-R562 PolarHBondContact O-NH1 3.48Å; A479-V572 HydrophobicContact CB-CG1 4.03Å
480A92.1Very high91.6Very high9 Ų920 Ų207%0.07410%0.104CC..THydrogen-bonded Turntrans-80.2-12.4177.300000114.8L347 H476 V477 A478 I558L347-A480 HydrophobicContact CD1-CB 3.35Å; L347-A480 HydrophobicContact CG-CB 3.71Å; H476-A480 PolarHBondContact O-N 3Å; V477-A480 PolarHBondContact O-N 3.41Å; A478-A480 PolarHBondContact O-N 3.16Å; A480-I558 HydrophobicContact CB-CG2 3.65Å
481L90.8Very high92.3Very high2 Ų220.7 Ų20.71%0.0111%0.108CC..  trans-74.1133.4-175.5-66.8169.3000111.8R344 I443 V477 A478 I489 R562R344-L481 HydrophobicContact CB-CD2 4.41Å; I443-L481 HydrophobicContact CG2-CD1 3.92Å; I443-L481 WeakPolarHBondContact O-CD1 3.3Å; V477-L481 WeakPolarHBondContact O-CG 3.48Å; A478-L481 WeakPolarHBondContact O-CB 3.46Å; A478-L481 PolarHBondContact O-N 3.35Å; L481-I489 HydrophobicContact CD1-CD1 4.12Å; L481-R562 PolarHBondContact O-NH1 3.44Å; L481-R562 PolarHBondContact O-NH2 2.93Å
482H88.6Confident92.8Very high74 Ų7422.5 Ų22.534%0.34312%0.117SC..  trans-78.5150.3169.7-56.384.7000110.8
483G89.4Confident93Very high19 Ų1922.5 Ų22.520%0.19612%0.117CC..SBendtrans95.2173-178.200000113.9E485 G486 D565G483-E485 PolarHBondContact O-N 2.82Å; G483-G486 PolarHBondContact O-N 3.12Å; G483-D565 PolarHBondContact N-OD2 2.94Å
484S91.8Very high93Very high55 Ų5520.5 Ų20.539%0.38511%0.11SC..Hα-helixtrans-66.3-25.9177.860.60000112.9G486 A487 Q488S484-G486 VanDerWaalsContact C-N 3.32Å; S484-G486 PolarHBondContact O-N 3.19Å; S484-A487 PolarHBondContact O-N 2.96Å; S484-Q488 WeakPolarHBondContact O-CG 3.43Å; S484-Q488 PolarHBondContact O-N 3.49Å
485E92.7Very high92.9Very high48 Ų4827.1 Ų27.122%0.22414%0.14CC..Hα-helixtrans-64.4-37.8-179.8-58.193.8122.900110.8R344 T448 G483 A487 Q488 I489R344-E485 IonicContact CZ-OE1 2.82Å; R344-E485 IonicContact NH1-OE1 2.68Å; R344-E485 PolarHBondContact NH1-OE1 2.88Å; R344-E485 IonicContact NH2-OE1 3.49Å; T448-E485 HydrophobicContact CG2-CB 4.17Å; T448-E485 HydrophobicContact CG2-CG 4.49Å; G483-E485 PolarHBondContact O-N 2.82Å; E485-A487 PolarHBondContact O-N 2.65Å; E485-Q488 PolarHBondContact O-N 3.43Å; E485-I489 WeakPolarHBondContact O-CB 3.48Å; E485-I489 VanDerWaalsContact O-CG1 3.23Å; E485-I489 WeakPolarHBondContact O-CG1 3.3Å; E485-I489 PolarHBondContact O-N 3.39Å
486G91.4Very high92.6Very high0 Ų029.4 Ų29.40%016%0.16CC..Hα-helixtrans-61.1-42.6174.900000112.6G483 S484 T490G483-G486 PolarHBondContact O-N 3.12Å; S484-G486 VanDerWaalsContact C-N 3.32Å; S484-G486 PolarHBondContact O-N 3.19Å; G486-T490 WeakPolarHBondContact O-CB 3.43Å; G486-T490 PolarHBondContact O-N 3.28Å; G486-T490 PolarHBondContact O-OG1 3Å
487A93.1Very high92.1Very high3 Ų330.9 Ų30.93%0.02517%0.168CC..Hα-helixtrans-66.1-44.6175.900000112S484 E485 T490 E491 K571 V572 L575S484-A487 PolarHBondContact O-N 2.96Å; E485-A487 PolarHBondContact O-N 2.65Å; A487-T490 PolarHBondContact O-N 3.23Å; A487-E491 PolarHBondContact O-N 3.31Å; A487-K571 HydrophobicContact CB-CB 4.46Å; A487-K571 HydrophobicContact CB-CD 4.31Å; A487-K571 HydrophobicContact CB-CG 4.22Å; A487-V572 HydrophobicContact CB-CG2 4.04Å; A487-L575 WeakPolarHBondContact O-CD1 3.36Å
488Q95.3Very high91Very high86 Ų8637 Ų3740%0.40221%0.206SC..Hα-helixtrans-61.8-46.1177.2-70173.718.900112T448 S484 E485 T490 E491 M492T448-Q488 HydrophobicContact CG2-CB 4.01Å; S484-Q488 WeakPolarHBondContact O-CG 3.43Å; S484-Q488 PolarHBondContact O-N 3.49Å; E485-Q488 PolarHBondContact O-N 3.43Å; Q488-T490 VanDerWaalsContact C-N 3.32Å; Q488-T490 PolarHBondContact O-N 3.15Å; Q488-E491 PolarHBondContact O-N 3.36Å; Q488-M492 WeakPolarHBondContact O-CG 3.46Å; Q488-M492 PolarHBondContact O-N 2.79Å
489I95.4Very high90.6Very high0 Ų042.8 Ų42.80%023%0.232CC..Hα-helixtrans-63.5-41.4177.3-69167.5000110.4I443 T448 V451 A478 L481 E485 M492 L493I443-I489 HydrophobicContact CG1-CG2 4.01Å; I443-I489 HydrophobicContact CG2-CG2 4.25Å; T448-I489 HydrophobicContact CG2-CD1 4.26Å; T448-I489 HydrophobicContact CG2-CG1 3.84Å; V451-I489 HydrophobicContact CG1-CG2 4.24Å; V451-I489 HydrophobicContact CG2-CD1 4.34Å; V451-I489 HydrophobicContact CG2-CG1 4.42Å; A478-I489 HydrophobicContact CB-CB 4.46Å; A478-I489 HydrophobicContact CB-CG2 3.7Å; L481-I489 HydrophobicContact CD1-CD1 4.12Å; E485-I489 WeakPolarHBondContact O-CB 3.48Å; E485-I489 VanDerWaalsContact O-CG1 3.23Å; E485-I489 WeakPolarHBondContact O-CG1 3.3Å; E485-I489 PolarHBondContact O-N 3.39Å; I489-M492 PolarHBondContact O-N 3.24Å; I489-L493 HydrophobicContact CG2-CD1 3.89Å; I489-L493 HydrophobicContact CG2-CG 4.27Å; I489-L493 WeakPolarHBondContact O-CB 3.44Å; I489-L493 VanDerWaalsContact O-CG 3.28Å; I489-L493 WeakPolarHBondContact O-CG 3.35Å; I489-L493 PolarHBondContact O-N 3.15Å
490T95Very high90.4Very high0 Ų043.5 Ų43.50%024%0.237CC..Hα-helixtrans-60.6-46.3176.8-58.40000111.1L475 G486 A487 Q488 M492 L493 L494 V572 L576L475-T490 HydrophobicContact CD1-CG2 3.87Å; G486-T490 WeakPolarHBondContact O-CB 3.43Å; G486-T490 PolarHBondContact O-N 3.28Å; G486-T490 PolarHBondContact O-OG1 3Å; A487-T490 PolarHBondContact O-N 3.23Å; Q488-T490 VanDerWaalsContact C-N 3.32Å; Q488-T490 PolarHBondContact O-N 3.15Å; T490-M492 PolarHBondContact O-N 3.01Å; T490-L493 PolarHBondContact O-N 3.33Å; T490-L494 HydrophobicContact CG2-CD1 3.93Å; T490-L494 HydrophobicContact CG2-CG 4.36Å; T490-L494 WeakPolarHBondContact O-CB 3.33Å; T490-L494 VanDerWaalsContact O-CG 3.31Å; T490-L494 WeakPolarHBondContact O-CG 3.37Å; T490-L494 PolarHBondContact O-N 3.26Å; T490-V572 HydrophobicContact CG2-CG1 4.19Å; T490-L576 HydrophobicContact CG2-CD2 4.47Å
491E94.9Very high90.3Very high80 Ų8045 Ų4537%0.37424%0.244SC..Hα-helixtrans-57.3-47.7175.4-176.9174.8-154.300111.5A487 Q488 L493 L494 H495 L575A487-E491 PolarHBondContact O-N 3.31Å; Q488-E491 PolarHBondContact O-N 3.36Å; E491-L493 VanDerWaalsContact C-N 3.34Å; E491-L493 PolarHBondContact O-N 3.4Å; E491-L494 PolarHBondContact O-N 2.95Å; E491-H495 PolarHBondContact O-CD2 3.31Å; E491-H495 VanDerWaalsContact O-CD2 3.24Å; E491-H495 PolarHBondContact O-N 3.35Å; E491-H495 VanDerWaalsContact O-N 3.13Å; E491-L575 HydrophobicContact CB-CD1 3.91Å; E491-L575 HydrophobicContact CB-CD2 4.15Å; E491-L575 HydrophobicContact CG-CD2 4.09Å
492M94.6Very high90.4Very high38 Ų3846.7 Ų46.719%0.18726%0.256CS..Hα-helixtrans-62-39.7177.9-67.8164.253.200112.9V451 H452 L455 Q488 I489 T490V451-M492 HydrophobicContact CB-CE 4.21Å; V451-M492 HydrophobicContact CG1-CE 3.89Å; H452-M492 HydrophobicContact CB-CE 3.33Å; H452-M492 VanDerWaalsContact N-CE 3.25Å; L455-M492 HydrophobicContact CD1-CB 4.12Å; L455-M492 HydrophobicContact CD1-CE 4.32Å; Q488-M492 WeakPolarHBondContact O-CG 3.46Å; Q488-M492 PolarHBondContact O-N 2.79Å; I489-M492 PolarHBondContact O-N 3.24Å; T490-M492 PolarHBondContact O-N 3.01Å
493L94.3Very high90.5Very high0 Ų046.7 Ų46.70%025%0.253CS..Hα-helixtrans-69.3-40.6177.2-72173.4000111.6L439 I443 L455 T461 P474 L475 A478 I489 T490 E491 H495 A496 I497L439-L493 HydrophobicContact CD2-CD2 4.49Å; I443-L493 HydrophobicContact CD1-CD1 4.06Å; I443-L493 HydrophobicContact CD1-CD2 4.45Å; L455-L493 HydrophobicContact CD1-CD2 4.23Å; L455-L493 HydrophobicContact CD2-CD2 4.08Å; T461-L493 HydrophobicContact CG2-CD2 3.67Å; P474-L493 HydrophobicContact CB-CD1 4.13Å; P474-L493 HydrophobicContact CB-CD2 4.2Å; L475-L493 HydrophobicContact CD1-CB 4.14Å; A478-L493 HydrophobicContact CB-CD1 3.64Å; I489-L493 HydrophobicContact CG2-CD1 3.89Å; I489-L493 HydrophobicContact CG2-CG 4.27Å; I489-L493 WeakPolarHBondContact O-CB 3.44Å; I489-L493 VanDerWaalsContact O-CG 3.28Å; I489-L493 WeakPolarHBondContact O-CG 3.35Å; I489-L493 PolarHBondContact O-N 3.15Å; T490-L493 PolarHBondContact O-N 3.33Å; E491-L493 VanDerWaalsContact C-N 3.34Å; E491-L493 PolarHBondContact O-N 3.4Å; L493-H495 VanDerWaalsContact C-N 3.29Å; L493-H495 PolarHBondContact O-N 3.46Å; L493-A496 CarbonylContact O-C 3.5Å; L493-A496 WeakPolarHBondContact O-CA 3.42Å; L493-A496 PolarHBondContact O-N 3.41Å; L493-I497 HydrophobicContact CB-CD1 3.98Å; L493-I497 WeakPolarHBondContact O-CB 3.42Å; L493-I497 WeakPolarHBondContact O-CD1 3.44Å; L493-I497 WeakPolarHBondContact O-CG1 3.23Å; L493-I497 PolarHBondContact O-N 3.02Å
494L93Very high90.6Very high8 Ų845.8 Ų45.84%0.04224%0.244CC..Hα-helixtrans-63.6-35.1178.7-74.7170.5000112.5L475 T490 E491 A496 I497 P500 L575 L576 H579L475-L494 HydrophobicContact CD1-CD2 4.1Å; L475-L494 HydrophobicContact CD1-CG 4.09Å; L475-L494 HydrophobicContact CD2-CD2 4.08Å; T490-L494 HydrophobicContact CG2-CD1 3.93Å; T490-L494 HydrophobicContact CG2-CG 4.36Å; T490-L494 WeakPolarHBondContact O-CB 3.33Å; T490-L494 VanDerWaalsContact O-CG 3.31Å; T490-L494 WeakPolarHBondContact O-CG 3.37Å; T490-L494 PolarHBondContact O-N 3.26Å; E491-L494 PolarHBondContact O-N 2.95Å; L494-A496 PolarHBondContact O-N 3.13Å; L494-I497 PolarHBondContact O-N 3.03Å; L494-P500 HydrophobicContact CD2-CB 4.17Å; L494-L575 HydrophobicContact CD1-CB 3.97Å; L494-L576 HydrophobicContact CD1-CD2 4.17Å; L494-L576 HydrophobicContact CD2-CD2 4.05Å; L494-H579 HydrophobicContact CD1-CB 4.47Å; L494-H579 HydrophobicContact CD2-CB 4.18Å
495H90.7Very high90.4Very high139 Ų13945.1 Ų45.164%0.64424%0.239SC*.THydrogen-bonded Turntrans-64.3-22.2170.9-71.3-43.7000113.9E491 L493E491-H495 PolarHBondContact O-CD2 3.31Å; E491-H495 VanDerWaalsContact O-CD2 3.24Å; E491-H495 PolarHBondContact O-N 3.35Å; E491-H495 VanDerWaalsContact O-N 3.13Å; L493-H495 VanDerWaalsContact C-N 3.29Å; L493-H495 PolarHBondContact O-N 3.46Å
496A87.7Confident90Very high54 Ų5443.1 Ų43.145%0.44623%0.229SC..THydrogen-bonded Turntrans-101.3-10.9-179.900000113.9L455 T461 L493 L494L455-A496 HydrophobicContact CD2-CB 4.37Å; T461-A496 HydrophobicContact CG2-CB 3.97Å; L493-A496 CarbonylContact O-C 3.5Å; L493-A496 WeakPolarHBondContact O-CA 3.42Å; L493-A496 PolarHBondContact O-N 3.41Å; L494-A496 PolarHBondContact O-N 3.13Å
497I83.5Confident89.6Confident34 Ų3446.9 Ų46.917%0.17425%0.247CC..  trans-101.3149-174.3-72.5165.7000110.6T461 L475 L493 L494 E499T461-I497 VanDerWaalsContact CB-CG1 3.49Å; T461-I497 HydrophobicContact CG2-CG1 4.17Å; T461-I497 VanDerWaalsContact OG1-CG1 3.31Å; T461-I497 WeakPolarHBondContact OG1-CG1 3.45Å; L475-I497 HydrophobicContact CB-CD1 3.87Å; L475-I497 HydrophobicContact CD1-CD1 4.2Å; L475-I497 HydrophobicContact CD2-CD1 4.07Å; L475-I497 HydrophobicContact CG-CD1 4.27Å; L493-I497 HydrophobicContact CB-CD1 3.98Å; L493-I497 WeakPolarHBondContact O-CB 3.42Å; L493-I497 WeakPolarHBondContact O-CD1 3.44Å; L493-I497 WeakPolarHBondContact O-CG1 3.23Å; L493-I497 PolarHBondContact O-N 3.02Å; L494-I497 PolarHBondContact O-N 3.03Å; I497-E499 VanDerWaalsContact CG2-N 3.3Å; I497-E499 WeakPolarHBondContact CG2-O 3.38Å
498T69.4Low88.9Confident129 Ų12955.8 Ų55.879%0.79129%0.288SS*.SBendtrans-93.1-32.2173.357.50000113.5
499E84.7Confident88.2Confident120 Ų12054.8 Ų54.856%0.56128%0.283SS*.  trans-132.8106.8-172.6-64.7-62.5151.500112.4I497 D501 S502I497-E499 VanDerWaalsContact CG2-N 3.3Å; I497-E499 WeakPolarHBondContact CG2-O 3.38Å; E499-D501 VanDerWaalsContact C-N 3.29Å; E499-D501 PolarHBondContact O-N 3.15Å; E499-S502 PolarHBondContact O-OG 2.93Å
500P90.2Very high87.5Confident15 Ų1557.3 Ų57.310%0.09730%0.296CS..THydrogen-bonded Turntrans-73-19.9-179.530-35.5000113.5L494 S502 A581L494-P500 HydrophobicContact CD2-CB 4.17Å; P500-S502 VanDerWaalsContact C-N 3.27Å; P500-S502 PolarHBondContact O-N 3.34Å; P500-A581 HydrophobicContact CB-CB 4.19Å; P500-A581 HydrophobicContact CG-CB 4.25Å
501D91.1Very high86.9Confident40 Ų4058.2 Ų58.221%0.21430%0.3CS..THydrogen-bonded Turntrans-9019.3-175-71.4-28.1000114.2E499 R503 A581 S582 L585E499-D501 VanDerWaalsContact C-N 3.29Å; E499-D501 PolarHBondContact O-N 3.15Å; D501-R503 WeakPolarHBondContact O-CG 3.47Å; D501-R503 PolarHBondContact O-N 2.98Å; D501-A581 WeakPolarHBondContact OD1-CA 3.4Å; D501-S582 VanDerWaalsContact CG-N 3.33Å; D501-S582 PolarHBondContact OD1-N 3.43Å; D501-S582 WeakPolarHBondContact OD2-CB 3.44Å; D501-S582 PolarHBondContact OD2-N 2.65Å; D501-L585 HydrophobicContact CB-CD1 3.85Å
502S91.8Very high86.3Confident39 Ų3962 Ų6227%0.27332%0.317SS..  trans-54.1132.9170.9-66.80000110.2H476 E499 P500H476-S502 PolarHBondContact CE1-O 3Å; H476-S502 PolarHBondContact NE2-O 3.23Å; E499-S502 PolarHBondContact O-OG 2.93Å; P500-S502 VanDerWaalsContact C-N 3.27Å; P500-S502 PolarHBondContact O-N 3.34Å
503R91.3Very high85.4Confident73 Ų7361.9 Ų61.928%0.27532%0.32SS..  trans-106.2136.8-173.9-53.5-177.378.6164.215.1111.9D501 G551 G552 R553 T554 L586D501-R503 WeakPolarHBondContact O-CG 3.47Å; D501-R503 PolarHBondContact O-N 2.98Å; R503-G551 PolarHBondContact NH2-O 2.9Å; R503-G552 PolarHBondContact NE-O 3.43Å; R503-G552 VanDerWaalsContact NE-O 3.09Å; R503-R553 WeakPolarHBondContact CA-O 3.35Å; R503-T554 HydrophobicContact CG-CG2 4.2Å; R503-L586 PolarHBondContact NH2-O 3.21Å
504A90.5Very high84.6Confident0 Ų062 Ų620%032%0.32CS..  trans-66.8174170.100000112.1F472 Q507 G552 R553F472-A504 HydrophobicContact CD1-CB 3.88Å; F472-A504 HydrophobicContact CE1-CB 3.99Å; A504-Q507 PolarHBondContact O-NE2 3.24Å; A504-G552 WeakPolarHBondContact O-CA 3.43Å; A504-R553 PolarHBondContact N-O 3.21Å
505C87.1Confident83.5Confident42 Ų4266.5 Ų66.528%0.28434%0.343SS..SBendtrans-106.460.6166.6-68.90000113.6R464 M467 K470R464-C505 PolarHBondContact NH1-SG 2.98Å; R464-C505 PolarHBondContact NH2-SG 3.1Å; M467-C505 HydrophobicContact SD-CB 3.78Å; M467-C505 VanDerWaalsContact SD-SG 3.66Å; K470-C505 PolarHBondContact O-N 3.13Å
506D84.9Confident82.1Confident5 Ų563.7 Ų63.73%0.02734%0.335CS..  trans-120.734171.753.37.5000110.8K470 E508 E509 G552 R553 W587K470-D506 HydrophobicContact CB-CB 4.37Å; K470-D506 HydrophobicContact CD-CB 4.42Å; D506-E508 PolarHBondContact O-N 2.72Å; D506-E508 VanDerWaalsContact O-N 3.16Å; D506-E509 HydrophobicContact CB-CB 4.25Å; D506-E509 HydrophobicContact CB-CG 3.9Å; D506-E509 PolarHBondContact O-N 3Å; D506-G552 WeakPolarHBondContact OD1-CA 3.48Å; D506-R553 PolarHBondContact OD1-N 3.07Å; D506-R553 IonicContact OD2-CZ 2.85Å; D506-R553 IonicContact OD2-NE 3.82Å; D506-R553 PolarHBondContact OD2-NE 3.42Å; D506-R553 IonicContact OD2-NH2 3.9Å; D506-R553 PolarHBondContact OD2-NH2 3.24Å; D506-W587 PolarHBondContact O-NE1 3.08Å
507Q83.1Confident80.6Confident80 Ų8061.6 Ų61.637%0.37432%0.316SS..THydrogen-bonded Turntrans-55.4-31.2178.3-66.477.112.600112.8A504A504-Q507 PolarHBondContact O-NE2 3.24Å
508E78.9Confident79Confident190 Ų19063.2 Ų63.289%0.88833%0.325SS*.THydrogen-bonded Turntrans-88.2-12-176.7-58.7-178.2179.100112.6D506D506-E508 PolarHBondContact O-N 2.72Å; D506-E508 VanDerWaalsContact O-N 3.16Å
509E81.1Confident77.9Confident64 Ų6460.9 Ų60.930%0.29931%0.312SS..PPolyproline II helixtrans-71135.8178.3-69.7-162160.400110.8K470 D506 R553 W587K470-E509 WeakPolarHBondContact CD-OE1 3.46Å; K470-E509 WeakPolarHBondContact CE-OE1 3.46Å; K470-E509 IonicContact NZ-OE1 3.85Å; K470-E509 PolarHBondContact NZ-OE1 3.11Å; K470-E509 IonicContact NZ-OE2 3.65Å; K470-E509 PolarHBondContact NZ-OE2 3.48Å; D506-E509 HydrophobicContact CB-CB 4.25Å; D506-E509 HydrophobicContact CB-CG 3.9Å; D506-E509 PolarHBondContact O-N 3Å; E509-R553 IonicContact OE2-CZ 3.83Å; E509-R553 IonicContact OE2-NH2 3.1Å; E509-R553 PolarHBondContact OE2-NH2 3.44Å; E509-W587 HydrophobicContact CB-CZ2 3.9Å
510I80.4Confident76.1Confident53 Ų5356.8 Ų56.827%0.27230%0.296SS..PPolyproline II helixtrans-99.4133.1174.2-59.4174000107.8Q512 D514 M515I510-Q512 PolarHBondContact O-N 2.98Å; I510-Q512 VanDerWaalsContact O-N 3.14Å; I510-D514 HydrophobicContact CG2-CB 4.05Å; I510-M515 HydrophobicContact CB-CG 4.24Å; I510-M515 HydrophobicContact CG2-CG 3.99Å
511Y82.8Confident74Confident19 Ų1958.1 Ų58.18%0.07530%0.302CS..PPolyproline II helixtrans-55.5120.3172.5-177.3-125.9000109.9P513 D514 Q561 W587 S588 H590 L595 A598 Y635Y511-P513 VanDerWaalsContact C-CD 3.47Å; Y511-P513 VanDerWaalsContact C-N 3.33Å; Y511-P513 HydrophobicContact CD1-CB 4.22Å; Y511-P513 HydrophobicContact CD1-CG 4.01Å; Y511-P513 HydrophobicContact CE1-CB 3.91Å; Y511-P513 HydrophobicContact CE1-CG 3.46Å; Y511-P513 VanDerWaalsContact CE1-CG 3.46Å; Y511-P513 HydrophobicContact CE2-CG 4.26Å; Y511-P513 VanDerWaalsContact O-N 3.12Å; Y511-D514 WeakPolarHBondContact O-CB 3.49Å; Y511-D514 PolarHBondContact O-N 3.37Å; Y511-Q561 HydrophobicContact CE2-CG 3.89Å; Y511-W587 HydrophobicContact CD2-CH2 4.36Å; Y511-W587 HydrophobicContact CD2-CZ3 4.03Å; Y511-W587 HydrophobicContact CG-CZ3 4.38Å; Y511-S588 PolarHBondContact N-OG 3.22Å; Y511-H590 AromaticContact CD1-NE2 3.55Å; Y511-L595 HydrophobicContact CD1-CD1 4.19Å; Y511-L595 HydrophobicContact CD2-CD1 3.89Å; Y511-L595 HydrophobicContact CE1-CD1 4.04Å; Y511-L595 HydrophobicContact CE2-CD1 3.74Å; Y511-L595 HydrophobicContact CG-CD1 4.13Å; Y511-A598 HydrophobicContact CE1-CB 3.9Å; Y511-Y635 HydrophobicContact CE1-CE1 4.26Å
512Q80.8Confident71.9Confident159 Ų15960.8 Ų60.874%0.74332%0.315SS*.G310 helixtrans-50.5-42.5-166.6-71.4-176.8-4.900114.5I510 D514 M515I510-Q512 PolarHBondContact O-N 2.98Å; I510-Q512 VanDerWaalsContact O-N 3.14Å; Q512-D514 PolarHBondContact O-N 3.05Å; Q512-M515 WeakPolarHBondContact O-CB 3.29Å; Q512-M515 PolarHBondContact O-N 3.16Å
513P77.3Confident69.6Low37 Ų3766.9 Ų66.924%0.2434%0.337CS..G310 helixtrans-59.5-24.5176.3-28.439000115.1Y511 Y635Y511-P513 VanDerWaalsContact C-CD 3.47Å; Y511-P513 VanDerWaalsContact C-N 3.33Å; Y511-P513 HydrophobicContact CD1-CB 4.22Å; Y511-P513 HydrophobicContact CD1-CG 4.01Å; Y511-P513 HydrophobicContact CE1-CB 3.91Å; Y511-P513 HydrophobicContact CE1-CG 3.46Å; Y511-P513 VanDerWaalsContact CE1-CG 3.46Å; Y511-P513 HydrophobicContact CE2-CG 4.26Å; Y511-P513 VanDerWaalsContact O-N 3.12Å; P513-Y635 HydrophobicContact CB-CD1 3.66Å; P513-Y635 HydrophobicContact CB-CE1 3.72Å
514D76.9Confident67.2Low2 Ų268.3 Ų68.31%0.01135%0.347CS..G310 helixtrans-81.6-18.5177.7-65.6-11.8000112.6I510 Y511 Q512 V516 I517 H590 Y635I510-D514 HydrophobicContact CG2-CB 4.05Å; Y511-D514 WeakPolarHBondContact O-CB 3.49Å; Y511-D514 PolarHBondContact O-N 3.37Å; Q512-D514 PolarHBondContact O-N 3.05Å; D514-V516 PolarHBondContact O-N 3.43Å; D514-V516 VanDerWaalsContact O-N 3.16Å; D514-I517 WeakPolarHBondContact O-CB 3.48Å; D514-I517 PolarHBondContact O-N 2.54Å; D514-I517 VanDerWaalsContact O-N 3.1Å; D514-H590 IonicContact OD1-NE2 3.03Å; D514-H590 IonicContact OD2-CD2 3.8Å; D514-H590 IonicContact OD2-NE2 2.85Å; D514-H590 PolarHBondContact OD2-NE2 3.2Å; D514-H590 VanDerWaalsContact OD2-NE2 3.1Å; D514-Y635 VanDerWaalsContact OD1-CE1 3.24Å; D514-Y635 WeakPolarHBondContact OD1-CE1 3.44Å; D514-Y635 PolarHBondContact OD1-OH 3Å
515M69Low64.8Low103 Ų10372.6 Ų72.651%0.50737%0.372SS..G310 helixtrans-61.6-25.4180-68.7-172.97000112.8I510 Q512 I517 L518 P519I510-M515 HydrophobicContact CB-CG 4.24Å; I510-M515 HydrophobicContact CG2-CG 3.99Å; Q512-M515 WeakPolarHBondContact O-CB 3.29Å; Q512-M515 PolarHBondContact O-N 3.16Å; M515-I517 PolarHBondContact O-N 3.03Å; M515-L518 WeakPolarHBondContact O-CB 3.36Å; M515-L518 PolarHBondContact O-N 2.96Å; M515-L518 VanDerWaalsContact O-N 3.15Å; M515-P519 WeakPolarHBondContact O-CD 3.15Å
516V61.9Low62.3Low79 Ų7979.2 Ų79.248%0.47940%0.396SS..G310 helixtrans-61.9-26.2178.2-176.10000111.9D514D514-V516 PolarHBondContact O-N 3.43Å; D514-V516 VanDerWaalsContact O-N 3.16Å
517I55.8Low59.8Low11 Ų1182.4 Ų82.46%0.05642%0.418CS..Hα-helixtrans-74-28.8-179.4-61171.6000111.1D514 M515 L521 L678D514-I517 WeakPolarHBondContact O-CB 3.48Å; D514-I517 PolarHBondContact O-N 2.54Å; D514-I517 VanDerWaalsContact O-N 3.1Å; M515-I517 PolarHBondContact O-N 3.03Å; I517-L521 HydrophobicContact CG2-CD1 3.61Å; I517-L521 HydrophobicContact CG2-CG 4.38Å; I517-L521 PolarHBondContact O-N 2.98Å; I517-L678 HydrophobicContact CG2-CD1 4.12Å
518L50.2Low57.4Low68 Ų6887.4 Ų87.436%0.35644%0.439SS..Hα-helixtrans-69.1-46.2-169.7-153.275.9000114.3M515 C520 L521 I522M515-L518 WeakPolarHBondContact O-CB 3.36Å; M515-L518 PolarHBondContact O-N 2.96Å; M515-L518 VanDerWaalsContact O-N 3.15Å; L518-C520 VanDerWaalsContact C-N 3.35Å; L518-C520 PolarHBondContact O-N 3.01Å; L518-L521 PolarHBondContact O-N 3.14Å; L518-I522 HydrophobicContact CG-CD1 4.3Å; L518-I522 VanDerWaalsContact O-CG1 3.32Å; L518-I522 WeakPolarHBondContact O-CG1 3.48Å; L518-I522 PolarHBondContact O-N 3.17Å
519P47.4Very low55.5Low79 Ų7982.6 Ų82.651%0.51343%0.426SS..Hα-helixtrans-70.2-27.5-179.9-19.632.7000114.1M515 K523M515-P519 WeakPolarHBondContact O-CD 3.15Å; P519-K523 PolarHBondContact O-N 3.05Å
520C46.9Very low53.3Low34 Ų3483.8 Ų83.823%0.2343%0.43CS..Hα-helixtrans-70.7-42.2177.6-72.60000111.4L518 K523 E524 L678L518-C520 VanDerWaalsContact C-N 3.35Å; L518-C520 PolarHBondContact O-N 3.01Å; C520-K523 PolarHBondContact O-N 3.45Å; C520-E524 PolarHBondContact O-N 3.1Å; C520-L678 HydrophobicContact CB-CD2 4.11Å; C520-L678 PolarHBondContact SG-O 3.46Å; C520-L678 VanDerWaalsContact SG-O 3.38Å
521L45.8Very low50.9Low43 Ų4389 Ų8923%0.22545%0.454CS..Hα-helixtrans-67.5-41.6176-72.9166.5000112.4I517 L518 K523 E524 V525 W621I517-L521 HydrophobicContact CG2-CD1 3.61Å; I517-L521 HydrophobicContact CG2-CG 4.38Å; I517-L521 PolarHBondContact O-N 2.98Å; L518-L521 PolarHBondContact O-N 3.14Å; L521-K523 PolarHBondContact O-N 2.94Å; L521-E524 WeakPolarHBondContact O-CA 3.15Å; L521-E524 PolarHBondContact O-N 3.49Å; L521-V525 WeakPolarHBondContact O-CG2 3.48Å; L521-V525 PolarHBondContact O-N 3.15Å; L521-W621 HydrophobicContact CD1-CH2 3.72Å; L521-W621 HydrophobicContact CD1-CZ3 3.74Å
522I46.5Very low48.3Very low97 Ų9792.2 Ų92.250%0.49748%0.484SS..Hα-helixtrans-61.1-29.8178.1-66.7166.8000112L518L518-I522 HydrophobicContact CG-CD1 4.3Å; L518-I522 VanDerWaalsContact O-CG1 3.32Å; L518-I522 WeakPolarHBondContact O-CG1 3.48Å; L518-I522 PolarHBondContact O-N 3.17Å
523K42.6Very low46.1Very low167 Ų16793.6 Ų93.673%0.72649%0.488SS*.Hα-helixtrans-71.7-33.9172.8-85.5-179177.9172.80112.8P519 C520 L521 K526P519-K523 PolarHBondContact O-N 3.05Å; C520-K523 PolarHBondContact O-N 3.45Å; L521-K523 PolarHBondContact O-N 2.94Å; K523-K526 PolarHBondContact O-N 3.1Å
524E40.6Very low44Very low103 Ų10399 Ų9948%0.48151%0.512SS..Hα-helixtrans-73.7-32.5176.3-71.2-177.1160.500112.3C520 L521 K526 C527C520-E524 PolarHBondContact O-N 3.1Å; L521-E524 WeakPolarHBondContact O-CA 3.15Å; L521-E524 PolarHBondContact O-N 3.49Å; E524-K526 PolarHBondContact O-N 3.23Å; E524-C527 WeakPolarHBondContact O-CB 3.49Å; E524-C527 PolarHBondContact O-N 2.84Å
525V40.3Very low42Very low89 Ų89105 Ų10554%0.53955%0.548SS..Hα-helixtrans-63.4-24.1173.1-179.30000112.9L521 C527L521-V525 WeakPolarHBondContact O-CG2 3.48Å; L521-V525 PolarHBondContact O-N 3.15Å; V525-C527 VanDerWaalsContact C-N 3.3Å; V525-C527 PolarHBondContact O-N 3.25Å
526K34.1Very low40Very low181 Ų181107.6 Ų107.679%0.78756%0.564SS**THydrogen-bonded Turntrans-80.2-4.6175.2-76.4-176.1177.5178.50114.2K523 E524K523-K526 PolarHBondContact O-N 3.1Å; E524-K526 PolarHBondContact O-N 3.23Å
527C34.3Very low38.8Very low72 Ų72113.4 Ų113.449%0.48658%0.583SS.*SBendtrans-79.4126.7173.1-80.90000110.4E524 V525 S529 F530E524-C527 WeakPolarHBondContact O-CB 3.49Å; E524-C527 PolarHBondContact O-N 2.84Å; V525-C527 VanDerWaalsContact C-N 3.3Å; V525-C527 PolarHBondContact O-N 3.25Å; C527-S529 PolarHBondContact O-N 3.45Å; C527-F530 PolarHBondContact O-N 3.29Å
528K32.3Very low37.8Very low186 Ų186121.4 Ų121.481%0.80962%0.62SS**THydrogen-bonded Turntrans-54.9-10.5-176-68.8-179.4175.4-179.10115.7F530K528-F530 VanDerWaalsContact C-N 3.35Å
529S38.5Very low37Very low88 Ų88126.5 Ų126.562%0.61564%0.635SS**THydrogen-bonded Turntrans-73.3-23.7172.345.50000113.4C527C527-S529 PolarHBondContact O-N 3.45Å
530F35.1Very low36.2Very low89 Ų89131.2 Ų131.239%0.3965%0.65SS.*THydrogen-bonded Turntrans-79.5-27.1178.8-126.1-96.5000112.8C527 K528 E663C527-F530 PolarHBondContact O-N 3.29Å; K528-F530 VanDerWaalsContact C-N 3.35Å; F530-E663 HydrophobicContact CE2-CG 4.32Å; F530-E663 VanDerWaalsContact CE2-OE1 3.3Å; F530-E663 WeakPolarHBondContact CE2-OE1 3.17Å
531Q29.7Very low35.3Very low162 Ų162136.4 Ų136.476%0.75768%0.676SS**THydrogen-bonded Turntrans-80.1-20.4177.9-99.6178.4-1500114.1
532A28.4Very low34.9Very low87 Ų87137.4 Ų137.472%0.71968%0.683SS**SBendtrans-91.3-9.1-171.100000114.4
533F33.6Very low34.2Very low188 Ų188136 Ų13683%0.82568%0.679SS**SBendtrans-105.8-2178.4-142.2-94.8000113.1V535F533-V535 PolarHBondContact O-N 2.94Å
534M33.8Very low33.9Very low151 Ų151135.2 Ų135.274%0.74468%0.678SS**SBendtrans-87.129.4-179.3-66-171.479.100113.8
535V34.3Very low33.6Very low127 Ų127137.7 Ų137.777%0.7770%0.695SS**  trans-139.669.7166.3-170.30000107.6F533F533-V535 PolarHBondContact O-N 2.94Å
536D27.7Very low33.5Very low158 Ų158138.5 Ų138.585%0.84569%0.694SS**SBendtrans-149.3124.9142.2-89.9-35.7000107.7E538D536-E538 PolarHBondContact O-N 2.85Å
537K36.8Very low33.9Very low202 Ų202137.1 Ų137.188%0.87869%0.69SS**SBendtrans-47.5125.2179.9-78.4171.9161.3-177.10110.8
538E35.3Very low34.7Very low179 Ų179137 Ų13784%0.83668%0.684SS**  trans157.341.9148.8-87.2171.3-166.600111.7D536D536-E538 PolarHBondContact O-N 2.85Å
539W33.4Very low35.7Very low174 Ų174137.3 Ų137.366%0.65969%0.686SS**SBendtrans-134.48.4171.8-146.9-87.7000115V542 T543W539-V542 HydrophobicContact CD2-CB 4.47Å; W539-V542 HydrophobicContact CZ2-CG1 4.15Å; W539-T543 VanDerWaalsContact CD1-CG2 3.5Å; W539-T543 PolarHBondContact O-OG1 3.49Å
540E29.9Very low37.1Very low178 Ų178136.1 Ų136.183%0.83267%0.672SS**THydrogen-bonded Turntrans-81.7-23.6172.1-81.1177.5156.700112.5
541D29.4Very low39.3Very low144 Ų144132.2 Ų132.277%0.7766%0.657SS**THydrogen-bonded Turntrans-88-15.8177.7-84-13.5000114
542V37.3Very low42.1Very low63 Ų63124.5 Ų124.538%0.38262%0.621SS.*THydrogen-bonded Turntrans-94.3-18.8-176.9-176.10000112.4W539 M546W539-V542 HydrophobicContact CD2-CB 4.47Å; W539-V542 HydrophobicContact CZ2-CG1 4.15Å; V542-M546 WeakPolarHBondContact O-CG 3.44Å
543T32.1Very low45.1Very low67 Ų67120.8 Ų120.841%0.41159%0.588SS.*THydrogen-bonded Turntrans-82.4-21.1178.247.90000113.7W539 H547W539-T543 VanDerWaalsContact CD1-CG2 3.5Å; W539-T543 PolarHBondContact O-OG1 3.49Å; T543-H547 PolarHBondContact O-CD2 3.21Å
544E35.1Very low48Very low152 Ų152111.9 Ų111.971%0.7155%0.549SS*.THydrogen-bonded Turntrans-71.8-32.9172.8-76.1-167.4156.300112.2
545D33.6Very low50.9Low154 Ų154104.7 Ų104.782%0.82451%0.514SS*.THydrogen-bonded Turntrans-83-9178.2-95.9-12.1000114.4
546M39Very low53.8Low107 Ų10798.7 Ų98.753%0.52748%0.477SS..THydrogen-bonded Turntrans-972.4177.6-72.9-167.276.900114.2V542 L548V542-M546 WeakPolarHBondContact O-CG 3.44Å; M546-L548 PolarHBondContact O-N 2.94Å
547H42.4Very low57Low151 Ų15191.1 Ų91.170%0.69944%0.437SS*.  trans-74.975.9165.1-75.5-65.9000109.7T543 K549T543-H547 PolarHBondContact O-CD2 3.21Å; H547-K549 PolarHBondContact O-N 3.23Å
548L52.2Low59.7Low70 Ų7081.9 Ų81.937%0.36640%0.397SS..  trans-50.6132.1154.5-79.1101.9000107M546 D550 L586 P618M546-L548 PolarHBondContact O-N 2.94Å; L548-D550 PolarHBondContact O-N 3.46Å; L548-L586 HydrophobicContact CB-CD1 3.97Å; L548-L586 HydrophobicContact CD2-CD1 3.2Å; L548-L586 HydrophobicContact CG-CD1 4.18Å; L548-P618 WeakPolarHBondContact CD2-O 3.46Å
549K53.2Low62.5Low193 Ų19373.3 Ų73.384%0.83936%0.357SS*.  trans-66.465.9-176-65.7177.4179.9174.20110.9H547 G551H547-K549 PolarHBondContact O-N 3.23Å; K549-G551 PolarHBondContact O-N 3.47Å
550D67Low65.4Low63 Ų6365 Ų6534%0.33733%0.326SS..  trans-63.1125.5176-137.26.6000106.3L548 L586 W587 S588 G589L548-D550 PolarHBondContact O-N 3.46Å; D550-L586 VanDerWaalsContact OD1-C 3.3Å; D550-W587 VanDerWaalsContact OD1-CA 3.26Å; D550-W587 WeakPolarHBondContact OD1-CA 3.33Å; D550-W587 PolarHBondContact OD1-N 3Å; D550-S588 PolarHBondContact OD1-N 2.96Å; D550-S588 VanDerWaalsContact OD1-N 3.13Å; D550-S588 WeakPolarHBondContact OD2-CA 3.34Å; D550-S588 PolarHBondContact OD2-N 3.2Å; D550-G589 PolarHBondContact OD1-N 3.4Å; D550-G589 VanDerWaalsContact OD1-N 3.12Å; D550-G589 PolarHBondContact OD2-N 3.19Å
551G81.9Confident68.3Low6 Ų659.3 Ų59.36%0.06230%0.299CS..  trans-141.9-168.6-179.900000108.8R503 K549 L586 W587R503-G551 PolarHBondContact NH2-O 2.9Å; K549-G551 PolarHBondContact O-N 3.47Å; G551-L586 PolarHBondContact N-O 2.88Å; G551-W587 VanDerWaalsContact O-CD1 3.3Å
552G88Confident71.1Confident0 Ų053 Ų530%026%0.264CS..PPolyproline II helixtrans-71.9164.9-171.800000112.3R503 A504 D506R503-G552 PolarHBondContact NE-O 3.43Å; R503-G552 VanDerWaalsContact NE-O 3.09Å; A504-G552 WeakPolarHBondContact O-CA 3.43Å; D506-G552 WeakPolarHBondContact OD1-CA 3.48Å
553R91.6Very high73.2Confident10 Ų1056.3 Ų56.34%0.03828%0.28CS..PPolyproline II helixtrans-57.6142.1173.4-74.9-176.5-73.4-152.2-15.7110.6H476 R503 A504 D506 E509 H557 I558 W587H476-R553 PolarHBondContact NE2-O 2.95Å; H476-R553 VanDerWaalsContact NE2-O 3.11Å; R503-R553 WeakPolarHBondContact CA-O 3.35Å; A504-R553 PolarHBondContact N-O 3.21Å; D506-R553 PolarHBondContact OD1-N 3.07Å; D506-R553 IonicContact OD2-CZ 2.85Å; D506-R553 IonicContact OD2-NE 3.82Å; D506-R553 PolarHBondContact OD2-NE 3.42Å; D506-R553 IonicContact OD2-NH2 3.9Å; D506-R553 PolarHBondContact OD2-NH2 3.24Å; E509-R553 IonicContact OE2-CZ 3.83Å; E509-R553 IonicContact OE2-NH2 3.1Å; E509-R553 PolarHBondContact OE2-NH2 3.44Å; R553-H557 HydrophobicContact CB-CB 4.12Å; R553-H557 HydrophobicContact CG-CB 4.09Å; R553-I558 HydrophobicContact CB-CG1 4.23Å; R553-W587 HydrophobicContact CB-CG 4.35Å; R553-W587 HydrophobicContact CG-CB 4.07Å; R553-W587 HydrophobicContact CG-CD2 3.19Å; R553-W587 HydrophobicContact CG-CE3 3.68Å; R553-W587 HydrophobicContact CG-CG 3.36Å; R553-W587 HydrophobicContact CG-CH2 4.38Å; R553-W587 HydrophobicContact CG-CZ2 3.99Å; R553-W587 HydrophobicContact CG-CZ3 4.24Å
554T94.7Very high75.6Confident0 Ų054 Ų540%027%0.27CS..PPolyproline II helixtrans-94.6168.5163.366.50000109.1H476 R503 L556 H557 I558 L585H476-T554 VanDerWaalsContact CD2-C 3.46Å; H476-T554 WeakPolarHBondContact NE2-CA 3.03Å; R503-T554 HydrophobicContact CG-CG2 4.2Å; T554-L556 PolarHBondContact O-N 3.34Å; T554-L556 PolarHBondContact OG1-N 2.84Å; T554-H557 PolarHBondContact N-ND1 3.28Å; T554-H557 WeakPolarHBondContact O-CB 3.44Å; T554-H557 PolarHBondContact O-N 3.39Å; T554-H557 VanDerWaalsContact O-N 3.13Å; T554-H557 PolarHBondContact OG1-N 3.1Å; T554-H557 PolarHBondContact OG1-ND1 2.98Å; T554-I558 PolarHBondContact O-N 3.24Å; T554-L585 HydrophobicContact CG2-CD1 3.76Å
555A94.2Very high78.1Confident0 Ų049.3 Ų49.30%025%0.25CC..Hα-helixtrans-57.8-34.1173.700000112.2L475 H476 A479 I558 A559 L576L475-A555 HydrophobicContact CB-CB 4.46Å; L475-A555 HydrophobicContact CD2-CB 3.81Å; L475-A555 HydrophobicContact CG-CB 3.67Å; H476-A555 PolarHBondContact CD2-N 3.42Å; H476-A555 VanDerWaalsContact CD2-N 3.34Å; H476-A555 PolarHBondContact NE2-N 3.12Å; A479-A555 HydrophobicContact CB-CB 4.23Å; A555-I558 PolarHBondContact O-N 2.93Å; A555-A559 PolarHBondContact O-N 2.93Å; A555-L576 HydrophobicContact CB-CD1 4.17Å; A555-L576 HydrophobicContact CB-CD2 4.01Å
556L95.9Very high80.8Confident1 Ų145.2 Ų45.21%0.00522%0.223CC..Hα-helixtrans-64.9-41.2176.7-172.863.3000112T554 I558 A559 C560 V573 L576 L577 A581 P592T554-L556 PolarHBondContact O-N 3.34Å; T554-L556 PolarHBondContact OG1-N 2.84Å; L556-I558 VanDerWaalsContact C-N 3.33Å; L556-I558 PolarHBondContact O-N 3.29Å; L556-A559 PolarHBondContact O-N 3.3Å; L556-C560 WeakPolarHBondContact O-CB 3.38Å; L556-C560 PolarHBondContact O-N 3.11Å; L556-C560 PolarHBondContact O-SG 3.45Å; L556-V573 HydrophobicContact CD1-CB 4.38Å; L556-V573 HydrophobicContact CD1-CG1 4.06Å; L556-V573 HydrophobicContact CD1-CG2 4.17Å; L556-L576 HydrophobicContact CB-CD1 4.24Å; L556-L576 HydrophobicContact CD1-CB 4.15Å; L556-L576 HydrophobicContact CD1-CD1 4.17Å; L556-L577 HydrophobicContact CD1-CD2 4.43Å; L556-L577 HydrophobicContact CD1-CG 4.37Å; L556-L577 HydrophobicContact CD2-CD2 3.97Å; L556-A581 HydrophobicContact CD2-CB 4.25Å; L556-P592 HydrophobicContact CD2-CB 3.81Å; L556-P592 HydrophobicContact CD2-CG 3.76Å; L556-P592 HydrophobicContact CG-CB 3.86Å; L556-P592 HydrophobicContact CG-CG 4.04Å
557H94.8Very high83.3Confident0 Ų043.8 Ų43.80%022%0.223CC..Hα-helixtrans-58.9-45.1172.9-71.594000111.7R553 T554 C560 Q561 L585 H590 L595R553-H557 HydrophobicContact CB-CB 4.12Å; R553-H557 HydrophobicContact CG-CB 4.09Å; T554-H557 PolarHBondContact N-ND1 3.28Å; T554-H557 WeakPolarHBondContact O-CB 3.44Å; T554-H557 PolarHBondContact O-N 3.39Å; T554-H557 VanDerWaalsContact O-N 3.13Å; T554-H557 PolarHBondContact OG1-N 3.1Å; T554-H557 PolarHBondContact OG1-ND1 2.98Å; H557-C560 PolarHBondContact O-N 3.31Å; H557-Q561 WeakPolarHBondContact O-CB 3.36Å; H557-Q561 PolarHBondContact O-N 3.29Å; H557-L585 PolarHBondContact CE1-O 2.77Å; H557-L585 PolarHBondContact NE2-O 2.88Å; H557-H590 PolarHBondContact NE2-O 3.07Å; H557-L595 HydrophobicContact CB-CD2 4.03Å; H557-L595 VanDerWaalsContact O-CD2 3.28Å; H557-L595 WeakPolarHBondContact O-CD2 3.13Å
558I93.3Very high85.7Confident7 Ų738.4 Ų38.44%0.03620%0.2CC..Hα-helixtrans-63.7-44.6-179.3-66.2178.5000110.9L347 F472 H476 A479 A480 R553 T554 A555 L556 C560 Q561L347-I558 HydrophobicContact CD1-CD1 4.06Å; L347-I558 HydrophobicContact CD1-CG2 4.25Å; F472-I558 HydrophobicContact CD1-CD1 4.3Å; F472-I558 HydrophobicContact CE1-CD1 4.1Å; H476-I558 HydrophobicContact CB-CD1 3.54Å; A479-I558 HydrophobicContact CB-CG2 4.29Å; A480-I558 HydrophobicContact CB-CG2 3.65Å; R553-I558 HydrophobicContact CB-CG1 4.23Å; T554-I558 PolarHBondContact O-N 3.24Å; A555-I558 PolarHBondContact O-N 2.93Å; L556-I558 VanDerWaalsContact C-N 3.33Å; L556-I558 PolarHBondContact O-N 3.29Å; I558-C560 VanDerWaalsContact C-N 3.33Å; I558-C560 PolarHBondContact O-N 2.94Å; I558-Q561 PolarHBondContact O-N 3.11Å
559A94.3Very high87.6Confident0 Ų035.1 Ų35.10%018%0.183CC..Hα-helixtrans-61.1-41.917700000112A479 A555 L556 Q561 R562 V572 V573 L576A479-A559 HydrophobicContact CB-CB 4.45Å; A555-A559 PolarHBondContact O-N 2.93Å; L556-A559 PolarHBondContact O-N 3.3Å; A559-Q561 VanDerWaalsContact C-N 3.34Å; A559-Q561 PolarHBondContact O-N 3.21Å; A559-R562 PolarHBondContact O-N 3.11Å; A559-V572 HydrophobicContact CB-CB 4.39Å; A559-V572 HydrophobicContact CB-CG1 3.63Å; A559-V573 HydrophobicContact CB-CG2 3.79Å; A559-L576 HydrophobicContact CB-CD1 4.24Å
560C93Very high89.5Confident0 Ų026.7 Ų26.70%015%0.148CC..Hα-helixtrans-68.8-29.9177.3-65.10000113.2L556 H557 I558 R562 L595 A596 S599 I608L556-C560 WeakPolarHBondContact O-CB 3.38Å; L556-C560 PolarHBondContact O-N 3.11Å; L556-C560 PolarHBondContact O-SG 3.45Å; H557-C560 PolarHBondContact O-N 3.31Å; I558-C560 VanDerWaalsContact C-N 3.33Å; I558-C560 PolarHBondContact O-N 2.94Å; C560-R562 VanDerWaalsContact C-N 3.29Å; C560-R562 PolarHBondContact O-N 3.02Å; C560-L595 HydrophobicContact CB-CB 4.42Å; C560-A596 HydrophobicContact CB-CB 3.97Å; C560-S599 WeakPolarHBondContact O-CB 3.09Å; C560-S599 PolarHBondContact O-OG 2.93Å; C560-I608 WeakPolarHBondContact SG-CD1 3.17Å
561Q91.2Very high90.8Very high57 Ų5728.7 Ų28.727%0.26615%0.153SC..Hα-helixtrans-72.5-19.7-178.6-167.8-179.5-22.900113.3Y511 H557 I558 A559 D563 L595Y511-Q561 HydrophobicContact CE2-CG 3.89Å; H557-Q561 WeakPolarHBondContact O-CB 3.36Å; H557-Q561 PolarHBondContact O-N 3.29Å; I558-Q561 PolarHBondContact O-N 3.11Å; A559-Q561 VanDerWaalsContact C-N 3.34Å; A559-Q561 PolarHBondContact O-N 3.21Å; Q561-D563 PolarHBondContact O-N 3.47Å; Q561-L595 HydrophobicContact CB-CD2 4Å; Q561-L595 HydrophobicContact CB-CG 4.24Å; Q561-L595 HydrophobicContact CG-CD1 4.49Å
562R88.6Confident91.5Very high12 Ų1228.4 Ų28.45%0.04515%0.15CC..  trans-53.4131.7-173.7-70.2171.962.7159.5-4.5111.8A479 L481 A559 C560 D565 A569A479-R562 WeakPolarHBondContact O-CD 3.45Å; A479-R562 PolarHBondContact O-NH1 3.48Å; L481-R562 PolarHBondContact O-NH1 3.44Å; L481-R562 PolarHBondContact O-NH2 2.93Å; A559-R562 PolarHBondContact O-N 3.11Å; C560-R562 VanDerWaalsContact C-N 3.29Å; C560-R562 PolarHBondContact O-N 3.02Å; R562-D565 IonicContact NH2-OD2 3.58Å; R562-D565 PolarHBondContact NH2-OD2 3.48Å; R562-A569 HydrophobicContact CB-CB 4.25Å
563D81.4Confident91.9Very high132 Ų13228.4 Ų28.471%0.70615%0.15SC*.SBendtrans-94.32.7-17760.8-22.1000113.2Q561 Y566Q561-D563 PolarHBondContact O-N 3.47Å; D563-Y566 PolarHBondContact O-OH 3.4Å
564G83.4Confident92.1Very high20 Ų2033 Ų3321%0.20617%0.173CC..SBendtrans-161.3176.6176.200000112.5Y566G564-Y566 VanDerWaalsContact C-N 3.33Å; G564-Y566 PolarHBondContact O-N 3.24Å
565D87.6Confident92.1Very high53 Ų5334 Ų3428%0.28318%0.177SC..  trans55.547.9-178.9-171.729.2000112.6G483 R562 S567 N568 A569G483-D565 PolarHBondContact N-OD2 2.94Å; R562-D565 IonicContact NH2-OD2 3.58Å; R562-D565 PolarHBondContact NH2-OD2 3.48Å; D565-S567 VanDerWaalsContact C-N 3.28Å; D565-S567 PolarHBondContact O-N 2.68Å; D565-N568 PolarHBondContact O-N 3.4Å; D565-N568 PolarHBondContact OD1-ND2 2.92Å; D565-N568 WeakPolarHBondContact OD2-CB 3.31Å; D565-N568 PolarHBondContact OD2-ND2 3.43Å; D565-A569 WeakPolarHBondContact O-CB 3.22Å; D565-A569 PolarHBondContact O-N 3.5Å
566Y89.3Confident92.2Very high67 Ų6734 Ų3426%0.26318%0.177SC..Hα-helixtrans-58.7-35.2-172-61.9-53.7000113.3D563 G564 A569 C570 N601D563-Y566 PolarHBondContact O-OH 3.4Å; G564-Y566 VanDerWaalsContact C-N 3.33Å; G564-Y566 PolarHBondContact O-N 3.24Å; Y566-A569 PolarHBondContact O-N 3.42Å; Y566-C570 WeakPolarHBondContact O-CB 3.48Å; Y566-C570 PolarHBondContact O-N 2.98Å; Y566-N601 HydrophobicContact CD1-CB 3.58Å; Y566-N601 VanDerWaalsContact CD1-CG 3.43Å; Y566-N601 HydrophobicContact CE1-CB 3.8Å; Y566-N601 HydrophobicContact CG-CB 4.48Å
567S91.4Very high92.2Very high77 Ų7735.2 Ų35.254%0.53818%0.184SC..Hα-helixtrans-66.8-41.9179.8-51.80000112.7D565 K571 E603D565-S567 VanDerWaalsContact C-N 3.28Å; D565-S567 PolarHBondContact O-N 2.68Å; S567-K571 PolarHBondContact O-N 3.43Å; S567-K571 VanDerWaalsContact O-N 3.12Å; S567-E603 WeakPolarHBondContact CA-OE2 3.07Å
568N92.4Very high92.1Very high39 Ų3939.2 Ų39.221%0.20921%0.212CC..Hα-helixtrans-75.2-34.5174.4-68.1-56000111.5D565 C570 K571 V572D565-N568 PolarHBondContact O-N 3.4Å; D565-N568 PolarHBondContact OD1-ND2 2.92Å; D565-N568 WeakPolarHBondContact OD2-CB 3.31Å; D565-N568 PolarHBondContact OD2-ND2 3.43Å; N568-C570 VanDerWaalsContact C-N 3.32Å; N568-C570 PolarHBondContact O-N 2.82Å; N568-K571 PolarHBondContact O-N 3.28Å; N568-V572 WeakPolarHBondContact O-CG2 3.36Å; N568-V572 PolarHBondContact O-N 3.07Å
569A91.8Very high92.1Very high0 Ų042.4 Ų42.40%023%0.227CC..Hα-helixtrans-60.5-42.9172.600000111.5R562 D565 Y566 K571 V572 V573R562-A569 HydrophobicContact CB-CB 4.25Å; D565-A569 WeakPolarHBondContact O-CB 3.22Å; D565-A569 PolarHBondContact O-N 3.5Å; Y566-A569 PolarHBondContact O-N 3.42Å; A569-K571 VanDerWaalsContact C-N 3.35Å; A569-V572 WeakPolarHBondContact O-CB 3.24Å; A569-V572 PolarHBondContact O-N 3.15Å; A569-V573 WeakPolarHBondContact O-CG2 3.46Å; A569-V573 PolarHBondContact O-N 3.08Å
570C93.8Very high92Very high16 Ų1645 Ų4511%0.10825%0.253CS..Hα-helixtrans-60.6-44.2174.9-174.60000110.8Y566 N568 V572 V573 E574 E603 E607Y566-C570 WeakPolarHBondContact O-CB 3.48Å; Y566-C570 PolarHBondContact O-N 2.98Å; N568-C570 VanDerWaalsContact C-N 3.32Å; N568-C570 PolarHBondContact O-N 2.82Å; C570-V572 VanDerWaalsContact C-N 3.34Å; C570-V572 PolarHBondContact O-N 3.03Å; C570-V573 CarbonylContact O-C 3.59Å; C570-V573 WeakPolarHBondContact O-CA 3.25Å; C570-V573 WeakPolarHBondContact O-CB 3.29Å; C570-V573 PolarHBondContact O-N 3.17Å; C570-V573 VanDerWaalsContact O-N 3.11Å; C570-E574 PolarHBondContact O-N 3.11Å; C570-E603 HydrophobicContact CB-CB 3.97Å; C570-E607 VanDerWaalsContact SG-CG 3.55Å
571K95.1Very high92.1Very high105 Ų10545.4 Ų45.446%0.45726%0.257SS..Hα-helixtrans-61.3-39.1174.1-170.4163.5-176172.40113.2A487 S567 N568 A569 E574 L575A487-K571 HydrophobicContact CB-CB 4.46Å; A487-K571 HydrophobicContact CB-CD 4.31Å; A487-K571 HydrophobicContact CB-CG 4.22Å; S567-K571 PolarHBondContact O-N 3.43Å; S567-K571 VanDerWaalsContact O-N 3.12Å; N568-K571 PolarHBondContact O-N 3.28Å; A569-K571 VanDerWaalsContact C-N 3.35Å; K571-E574 PolarHBondContact O-N 3.43Å; K571-L575 HydrophobicContact CG-CD1 4.46Å; K571-L575 WeakPolarHBondContact O-CB 3.3Å; K571-L575 VanDerWaalsContact O-CG 3.26Å; K571-L575 WeakPolarHBondContact O-CG 3.5Å; K571-L575 PolarHBondContact O-N 2.94Å
572V95.3Very high92.2Very high0 Ų044.2 Ų44.20%026%0.255CS..Hα-helixtrans-63.3-42.5172.81690000110.9A479 A487 T490 A559 N568 A569 C570 L575 L576A479-V572 HydrophobicContact CB-CG1 4.03Å; A487-V572 HydrophobicContact CB-CG2 4.04Å; T490-V572 HydrophobicContact CG2-CG1 4.19Å; A559-V572 HydrophobicContact CB-CB 4.39Å; A559-V572 HydrophobicContact CB-CG1 3.63Å; N568-V572 WeakPolarHBondContact O-CG2 3.36Å; N568-V572 PolarHBondContact O-N 3.07Å; A569-V572 WeakPolarHBondContact O-CB 3.24Å; A569-V572 PolarHBondContact O-N 3.15Å; C570-V572 VanDerWaalsContact C-N 3.34Å; C570-V572 PolarHBondContact O-N 3.03Å; V572-L575 PolarHBondContact O-N 2.97Å; V572-L576 HydrophobicContact CG1-CD1 3.91Å; V572-L576 HydrophobicContact CG1-CG 4.5Å; V572-L576 VanDerWaalsContact O-CG 3.28Å; V572-L576 WeakPolarHBondContact O-CG 3.37Å; V572-L576 PolarHBondContact O-N 2.99Å
573V96.3Very high92.5Very high0 Ų044.5 Ų44.50%026%0.258CS..Hα-helixtrans-61.5-47.1175.9167.70000111.1L556 A559 A569 C570 L575 L576 L577 A604 E607 I608L556-V573 HydrophobicContact CD1-CB 4.38Å; L556-V573 HydrophobicContact CD1-CG1 4.06Å; L556-V573 HydrophobicContact CD1-CG2 4.17Å; A559-V573 HydrophobicContact CB-CG2 3.79Å; A569-V573 WeakPolarHBondContact O-CG2 3.46Å; A569-V573 PolarHBondContact O-N 3.08Å; C570-V573 CarbonylContact O-C 3.59Å; C570-V573 WeakPolarHBondContact O-CA 3.25Å; C570-V573 WeakPolarHBondContact O-CB 3.29Å; C570-V573 PolarHBondContact O-N 3.17Å; C570-V573 VanDerWaalsContact O-N 3.11Å; V573-L575 VanDerWaalsContact C-N 3.34Å; V573-L575 PolarHBondContact O-N 3.41Å; V573-L576 PolarHBondContact O-N 3.47Å; V573-L577 HydrophobicContact CG1-CD1 3.56Å; V573-L577 HydrophobicContact CG1-CG 4.28Å; V573-L577 WeakPolarHBondContact O-CB 3.4Å; V573-L577 VanDerWaalsContact O-CG 3.26Å; V573-L577 WeakPolarHBondContact O-CG 3.46Å; V573-L577 PolarHBondContact O-N 2.81Å; V573-A604 HydrophobicContact CG2-CB 4.2Å; V573-E607 HydrophobicContact CG1-CB 4.46Å; V573-I608 HydrophobicContact CG1-CD1 4.3Å; V573-I608 HydrophobicContact CG1-CG1 3.79Å
574E95.9Very high93Very high107 Ų10742.2 Ų42.250%0.525%0.246SC..Hα-helixtrans-57-46175.5-175.5-172179.800111.6C570 K571 L576 L577 S578C570-E574 PolarHBondContact O-N 3.11Å; K571-E574 PolarHBondContact O-N 3.43Å; E574-L576 PolarHBondContact O-N 3.4Å; E574-L577 PolarHBondContact O-N 3.28Å; E574-S578 WeakPolarHBondContact O-CB 3.35Å; E574-S578 PolarHBondContact O-N 3.35Å; E574-S578 PolarHBondContact O-OG 3.32Å
575L95.6Very high93.3Very high20 Ų2043.6 Ų43.611%0.10525%0.248CC..Hα-helixtrans-61.8-43.8177-74.3168.6000112.2A487 E491 L494 K571 V572 V573 S578 H579A487-L575 WeakPolarHBondContact O-CD1 3.36Å; E491-L575 HydrophobicContact CB-CD1 3.91Å; E491-L575 HydrophobicContact CB-CD2 4.15Å; E491-L575 HydrophobicContact CG-CD2 4.09Å; L494-L575 HydrophobicContact CD1-CB 3.97Å; K571-L575 HydrophobicContact CG-CD1 4.46Å; K571-L575 WeakPolarHBondContact O-CB 3.3Å; K571-L575 VanDerWaalsContact O-CG 3.26Å; K571-L575 WeakPolarHBondContact O-CG 3.5Å; K571-L575 PolarHBondContact O-N 2.94Å; V572-L575 PolarHBondContact O-N 2.97Å; V573-L575 VanDerWaalsContact C-N 3.34Å; V573-L575 PolarHBondContact O-N 3.41Å; L575-S578 WeakPolarHBondContact CA-OG 3.43Å; L575-S578 PolarHBondContact O-OG 3.29Å; L575-H579 PolarHBondContact O-N 3.21Å; L575-H579 PolarHBondContact O-ND1 3.25Å
576L95.9Very high93.5Very high0 Ų041.5 Ų41.50%024%0.237CC..Hα-helixtrans-66.4-43.7178.7-71.2167.4000112L475 T490 L494 A555 L556 A559 V572 V573 E574 H579 G580 A581L475-L576 HydrophobicContact CD1-CD2 4.34Å; L475-L576 HydrophobicContact CD2-CD2 4.05Å; L475-L576 HydrophobicContact CG-CD2 4.39Å; T490-L576 HydrophobicContact CG2-CD2 4.47Å; L494-L576 HydrophobicContact CD1-CD2 4.17Å; L494-L576 HydrophobicContact CD2-CD2 4.05Å; A555-L576 HydrophobicContact CB-CD1 4.17Å; A555-L576 HydrophobicContact CB-CD2 4.01Å; L556-L576 HydrophobicContact CB-CD1 4.24Å; L556-L576 HydrophobicContact CD1-CB 4.15Å; L556-L576 HydrophobicContact CD1-CD1 4.17Å; A559-L576 HydrophobicContact CB-CD1 4.24Å; V572-L576 HydrophobicContact CG1-CD1 3.91Å; V572-L576 HydrophobicContact CG1-CG 4.5Å; V572-L576 VanDerWaalsContact O-CG 3.28Å; V572-L576 WeakPolarHBondContact O-CG 3.37Å; V572-L576 PolarHBondContact O-N 2.99Å; V573-L576 PolarHBondContact O-N 3.47Å; E574-L576 PolarHBondContact O-N 3.4Å; L576-H579 PolarHBondContact O-N 2.91Å; L576-G580 PolarHBondContact O-N 3.11Å; L576-A581 HydrophobicContact CB-CB 4.06Å; L576-A581 WeakPolarHBondContact O-CB 3.42Å; L576-A581 PolarHBondContact O-N 3.32Å; L576-A581 VanDerWaalsContact O-N 3.08Å
577L95.3Very high93.5Very high27 Ų2738.5 Ų38.514%0.14123%0.225CC..Hα-helixtrans-67.5-40.4179.5-67.7169000111.8L556 V573 E574 H579 G580 T583 I608 A611L556-L577 HydrophobicContact CD1-CD2 4.43Å; L556-L577 HydrophobicContact CD1-CG 4.37Å; L556-L577 HydrophobicContact CD2-CD2 3.97Å; V573-L577 HydrophobicContact CG1-CD1 3.56Å; V573-L577 HydrophobicContact CG1-CG 4.28Å; V573-L577 WeakPolarHBondContact O-CB 3.4Å; V573-L577 VanDerWaalsContact O-CG 3.26Å; V573-L577 WeakPolarHBondContact O-CG 3.46Å; V573-L577 PolarHBondContact O-N 2.81Å; E574-L577 PolarHBondContact O-N 3.28Å; L577-H579 PolarHBondContact O-N 3.22Å; L577-G580 PolarHBondContact O-N 2.99Å; L577-T583 HydrophobicContact CD2-CG2 3.71Å; L577-I608 HydrophobicContact CD1-CG1 4.13Å; L577-A611 HydrophobicContact CB-CB 4.19Å; L577-A611 HydrophobicContact CD1-CB 3.77Å; L577-A611 HydrophobicContact CD2-CB 3.99Å; L577-A611 HydrophobicContact CG-CB 4.2Å
578S94.1Very high93.3Very high85 Ų8534.9 Ų34.959%0.59420%0.2SC*.Hα-helixtrans-63.3-23.4175.760.80000113.6E574 L575E574-S578 WeakPolarHBondContact O-CB 3.35Å; E574-S578 PolarHBondContact O-N 3.35Å; E574-S578 PolarHBondContact O-OG 3.32Å; L575-S578 WeakPolarHBondContact CA-OG 3.43Å; L575-S578 PolarHBondContact O-OG 3.29Å
579H93.6Very high93Very high73 Ų7333.1 Ų33.134%0.33819%0.191SC..THydrogen-bonded Turntrans-95.310.8174.2-69.374.2000113.4L494 L575 L576 L577L494-H579 HydrophobicContact CD1-CB 4.47Å; L494-H579 HydrophobicContact CD2-CB 4.18Å; L575-H579 PolarHBondContact O-N 3.21Å; L575-H579 PolarHBondContact O-ND1 3.25Å; L576-H579 PolarHBondContact O-N 2.91Å; L577-H579 PolarHBondContact O-N 3.22Å
580G92.1Very high93Very high54 Ų5433.1 Ų33.156%0.55719%0.191SC*.THydrogen-bonded Turntrans86.322.117100000115.7L576 L577L576-G580 PolarHBondContact O-N 3.11Å; L577-G580 PolarHBondContact O-N 2.99Å
581A95Very high93Very high9 Ų932.6 Ų32.67%0.07419%0.187CC..  trans-60.8134.517300000111.9P500 D501 L556 L576P500-A581 HydrophobicContact CB-CB 4.19Å; P500-A581 HydrophobicContact CG-CB 4.25Å; D501-A581 WeakPolarHBondContact OD1-CA 3.4Å; L556-A581 HydrophobicContact CD2-CB 4.25Å; L576-A581 HydrophobicContact CB-CB 4.06Å; L576-A581 WeakPolarHBondContact O-CB 3.42Å; L576-A581 PolarHBondContact O-N 3.32Å; L576-A581 VanDerWaalsContact O-N 3.08Å
582S93.2Very high93Very high33 Ų3327.6 Ų27.623%0.23117%0.166CC..  trans-75.2135.2-178.2-179.60000112.7D501 D584D501-S582 VanDerWaalsContact CG-N 3.33Å; D501-S582 PolarHBondContact OD1-N 3.43Å; D501-S582 WeakPolarHBondContact OD2-CB 3.44Å; D501-S582 PolarHBondContact OD2-N 2.65Å; S582-D584 PolarHBondContact OG-N 3.15Å
583T93.7Very high92.9Very high18 Ų1827.6 Ų27.611%0.1117%0.166CC..SBendtrans-88.5-4.2175.853.50000113.9L577 P592 I608 A613L577-T583 HydrophobicContact CD2-CG2 3.71Å; T583-P592 WeakPolarHBondContact O-CD 3.49Å; T583-I608 HydrophobicContact CG2-CG2 4.17Å; T583-A613 HydrophobicContact CG2-CB 3.92Å
584D91.4Very high92.8Very high83 Ų8327.6 Ų27.644%0.44417%0.166SC..SBendtrans-108.1-11.7-166.2-53.7-17.2000112.6S582 L617S582-D584 PolarHBondContact OG-N 3.15Å; D584-L617 HydrophobicContact CB-CD1 4.44Å; D584-L617 HydrophobicContact CB-CD2 4.33Å
585L91.4Very high92.6Very high49 Ų4922.5 Ų22.526%0.25714%0.142SC..  trans-67.9138.3177.8-63.2177000110D501 T554 H557 P592D501-L585 HydrophobicContact CB-CD1 3.85Å; T554-L585 HydrophobicContact CG2-CD1 3.76Å; H557-L585 PolarHBondContact CE1-O 2.77Å; H557-L585 PolarHBondContact NE2-O 2.88Å; L585-P592 WeakPolarHBondContact O-CD 2.97Å
586L90.5Very high92.5Very high10 Ų1021.6 Ų21.65%0.05214%0.137CC..  trans-108.4140.8-177.9-57-176.8000112.9R503 L548 D550 G551 H590 L617 L619R503-L586 PolarHBondContact NH2-O 3.21Å; L548-L586 HydrophobicContact CB-CD1 3.97Å; L548-L586 HydrophobicContact CD2-CD1 3.2Å; L548-L586 HydrophobicContact CG-CD1 4.18Å; D550-L586 VanDerWaalsContact OD1-C 3.3Å; G551-L586 PolarHBondContact N-O 2.88Å; L586-H590 CarbonylContact C-O 3.5Å; L586-H590 WeakPolarHBondContact CA-O 3.32Å; L586-L617 HydrophobicContact CD2-CD2 4.02Å; L586-L619 HydrophobicContact CD2-CD2 3.85Å
587W90.8Very high92.3Very high3 Ų321.8 Ų21.81%0.01114%0.138CC..BIsolated β-bridgetrans-133.3131.2166171.177000110.5D506 E509 Y511 D550 G551 R553 G589 H590 L595D506-W587 PolarHBondContact O-NE1 3.08Å; E509-W587 HydrophobicContact CB-CZ2 3.9Å; Y511-W587 HydrophobicContact CD2-CH2 4.36Å; Y511-W587 HydrophobicContact CD2-CZ3 4.03Å; Y511-W587 HydrophobicContact CG-CZ3 4.38Å; D550-W587 VanDerWaalsContact OD1-CA 3.26Å; D550-W587 WeakPolarHBondContact OD1-CA 3.33Å; D550-W587 PolarHBondContact OD1-N 3Å; G551-W587 VanDerWaalsContact O-CD1 3.3Å; R553-W587 HydrophobicContact CB-CG 4.35Å; R553-W587 HydrophobicContact CG-CB 4.07Å; R553-W587 HydrophobicContact CG-CD2 3.19Å; R553-W587 HydrophobicContact CG-CE3 3.68Å; R553-W587 HydrophobicContact CG-CG 3.36Å; R553-W587 HydrophobicContact CG-CH2 4.38Å; R553-W587 HydrophobicContact CG-CZ2 3.99Å; R553-W587 HydrophobicContact CG-CZ3 4.24Å; W587-G589 PolarHBondContact O-N 3.05Å; W587-G589 VanDerWaalsContact O-N 3.11Å; W587-H590 PolarHBondContact N-O 3.4Å; W587-H590 WeakPolarHBondContact O-CB 3.38Å; W587-H590 PolarHBondContact O-N 3.46Å; W587-L595 HydrophobicContact CE3-CD2 4.43Å
588S86.4Confident92Very high1 Ų120.7 Ų20.71%0.00713%0.133CC..THydrogen-bonded Turntrans54.625.2-173-179.50000112.5Y511 D550 H590Y511-S588 PolarHBondContact N-OG 3.22Å; D550-S588 PolarHBondContact OD1-N 2.96Å; D550-S588 VanDerWaalsContact OD1-N 3.13Å; D550-S588 WeakPolarHBondContact OD2-CA 3.34Å; D550-S588 PolarHBondContact OD2-N 3.2Å; S588-H590 VanDerWaalsContact C-N 3.28Å; S588-H590 PolarHBondContact O-N 2.93Å
589G85.5Confident91.7Very high3 Ų317.3 Ų17.33%0.03111%0.109CC..THydrogen-bonded Turntrans77.23.9-173.300000115.4D550 W587 L619 G620D550-G589 PolarHBondContact OD1-N 3.4Å; D550-G589 VanDerWaalsContact OD1-N 3.12Å; D550-G589 PolarHBondContact OD2-N 3.19Å; W587-G589 PolarHBondContact O-N 3.05Å; W587-G589 VanDerWaalsContact O-N 3.11Å; G589-L619 WeakPolarHBondContact O-CB 3.48Å; G589-G620 PolarHBondContact O-N 3.39Å
590H91.3Very high91.4Very high0 Ų014.2 Ų14.20%010%0.097CC..BIsolated β-bridgetrans-95142.3173.6-77.7-87.5000111.6Y511 D514 H557 L586 W587 S588 S594 L595 V623 Y635Y511-H590 AromaticContact CD1-NE2 3.55Å; D514-H590 IonicContact OD1-NE2 3.03Å; D514-H590 IonicContact OD2-CD2 3.8Å; D514-H590 IonicContact OD2-NE2 2.85Å; D514-H590 PolarHBondContact OD2-NE2 3.2Å; D514-H590 VanDerWaalsContact OD2-NE2 3.1Å; H557-H590 PolarHBondContact NE2-O 3.07Å; L586-H590 CarbonylContact C-O 3.5Å; L586-H590 WeakPolarHBondContact CA-O 3.32Å; W587-H590 PolarHBondContact N-O 3.4Å; W587-H590 WeakPolarHBondContact O-CB 3.38Å; W587-H590 PolarHBondContact O-N 3.46Å; S588-H590 VanDerWaalsContact C-N 3.28Å; S588-H590 PolarHBondContact O-N 2.93Å; H590-S594 WeakPolarHBondContact CA-OG 3.49Å; H590-S594 PolarHBondContact ND1-OG 3.44Å; H590-S594 VanDerWaalsContact ND1-OG 3.09Å; H590-L595 HydrophobicContact CB-CB 4.22Å; H590-L595 HydrophobicContact CB-CD1 4.45Å; H590-V623 WeakPolarHBondContact NE2-CG2 3.23Å; H590-Y635 AromaticContact CE1-CZ 3.86Å; H590-Y635 PolarHBondContact CE1-OH 3.45Å; H590-Y635 VanDerWaalsContact CE1-OH 3.24Å; H590-Y635 PolarHBondContact NE2-OH 3.13Å
591S93.8Very high91.3Very high4 Ų411.6 Ų11.63%0.0287%0.071CC..  trans-87.1163.8160.1660000109.4L593 S594 L595S591-L593 PolarHBondContact O-N 3.32Å; S591-S594 PolarHBondContact N-OG 3.05Å; S591-S594 PolarHBondContact O-N 3.17Å; S591-S594 VanDerWaalsContact O-N 3.13Å; S591-S594 PolarHBondContact O-OG 3.23Å; S591-S594 PolarHBondContact OG-N 3.07Å; S591-L595 WeakPolarHBondContact O-CB 3.38Å; S591-L595 PolarHBondContact O-N 3.27Å
592P95.1Very high91.1Very high0 Ų012.7 Ų12.70%08%0.075CC..Hα-helixtrans-50.1-42.5171.1-30.336.5000113.3L556 T583 L585 L595 A596L556-P592 HydrophobicContact CD2-CB 3.81Å; L556-P592 HydrophobicContact CD2-CG 3.76Å; L556-P592 HydrophobicContact CG-CB 3.86Å; L556-P592 HydrophobicContact CG-CG 4.04Å; T583-P592 WeakPolarHBondContact O-CD 3.49Å; L585-P592 WeakPolarHBondContact O-CD 2.97Å; P592-L595 PolarHBondContact O-N 3.24Å; P592-A596 WeakPolarHBondContact O-CB 3.42Å; P592-A596 PolarHBondContact O-N 2.8Å
593L94.8Very high91Very high1 Ų114.7 Ų14.71%0.0058%0.081CC..Hα-helixtrans-60.9-50.3176.7178.461.4000111.7S591 L595 A596 I597 V605 I608 L609 A613 P615 A626 L648S591-L593 PolarHBondContact O-N 3.32Å; L593-L595 VanDerWaalsContact C-N 3.28Å; L593-L595 PolarHBondContact O-N 2.96Å; L593-A596 PolarHBondContact O-N 3.02Å; L593-I597 HydrophobicContact CD1-CD1 4.32Å; L593-I597 HydrophobicContact CG-CD1 4.2Å; L593-I597 VanDerWaalsContact O-CG1 3.29Å; L593-I597 WeakPolarHBondContact O-CG1 3.36Å; L593-I597 PolarHBondContact O-N 2.83Å; L593-V605 HydrophobicContact CD1-CG1 3.97Å; L593-I608 HydrophobicContact CB-CG2 3.89Å; L593-I608 HydrophobicContact CD1-CB 4.4Å; L593-I608 HydrophobicContact CD1-CG2 4.04Å; L593-I608 HydrophobicContact CG-CG2 4.49Å; L593-L609 HydrophobicContact CD1-CD2 4.02Å; L593-L609 HydrophobicContact CD1-CG 4.04Å; L593-L609 HydrophobicContact CD2-CD2 3.83Å; L593-A613 HydrophobicContact CD2-CB 4.4Å; L593-P615 HydrophobicContact CD2-CB 4.27Å; L593-A626 HydrophobicContact CD2-CB 4.33Å; L593-L648 HydrophobicContact CD2-CD2 4.43Å
594S93.1Very high91Very high0 Ų013.9 Ų13.90%08%0.076CC..Hα-helixtrans-70.9-27.2-177.975.20000112.8H590 S591 A598 L619H590-S594 WeakPolarHBondContact CA-OG 3.49Å; H590-S594 PolarHBondContact ND1-OG 3.44Å; H590-S594 VanDerWaalsContact ND1-OG 3.09Å; S591-S594 PolarHBondContact N-OG 3.05Å; S591-S594 PolarHBondContact O-N 3.17Å; S591-S594 VanDerWaalsContact O-N 3.13Å; S591-S594 PolarHBondContact O-OG 3.23Å; S591-S594 PolarHBondContact OG-N 3.07Å; S594-A598 WeakPolarHBondContact O-CB 3.23Å; S594-A598 PolarHBondContact O-N 2.99Å; S594-L619 WeakPolarHBondContact OG-CD1 3.34Å
595L92.2Very high91.1Very high0 Ų09.9 Ų9.90%06%0.055CC..Hα-helixtrans-72.3-40.8174-166.759.2000111.9Y511 H557 C560 Q561 W587 H590 S591 P592 L593 I597 A598 S599Y511-L595 HydrophobicContact CD1-CD1 4.19Å; Y511-L595 HydrophobicContact CD2-CD1 3.89Å; Y511-L595 HydrophobicContact CE1-CD1 4.04Å; Y511-L595 HydrophobicContact CE2-CD1 3.74Å; Y511-L595 HydrophobicContact CG-CD1 4.13Å; H557-L595 HydrophobicContact CB-CD2 4.03Å; H557-L595 VanDerWaalsContact O-CD2 3.28Å; H557-L595 WeakPolarHBondContact O-CD2 3.13Å; C560-L595 HydrophobicContact CB-CB 4.42Å; Q561-L595 HydrophobicContact CB-CD2 4Å; Q561-L595 HydrophobicContact CB-CG 4.24Å; Q561-L595 HydrophobicContact CG-CD1 4.49Å; W587-L595 HydrophobicContact CE3-CD2 4.43Å; H590-L595 HydrophobicContact CB-CB 4.22Å; H590-L595 HydrophobicContact CB-CD1 4.45Å; S591-L595 WeakPolarHBondContact O-CB 3.38Å; S591-L595 PolarHBondContact O-N 3.27Å; P592-L595 PolarHBondContact O-N 3.24Å; L593-L595 VanDerWaalsContact C-N 3.28Å; L593-L595 PolarHBondContact O-N 2.96Å; L595-I597 VanDerWaalsContact C-N 3.32Å; L595-A598 PolarHBondContact O-N 3.13Å; L595-A598 VanDerWaalsContact O-N 3.15Å; L595-S599 PolarHBondContact O-N 3.07Å; L595-S599 PolarHBondContact O-OG 3.37Å
596A92.7Very high91.2Very high0 Ų010.7 Ų10.70%06%0.057CC..Hα-helixtrans-62.8-39.2172.300000111.8C560 P592 L593 A598 S599 G600 N601 A604 V605 I608C560-A596 HydrophobicContact CB-CB 3.97Å; P592-A596 WeakPolarHBondContact O-CB 3.42Å; P592-A596 PolarHBondContact O-N 2.8Å; L593-A596 PolarHBondContact O-N 3.02Å; A596-A598 VanDerWaalsContact C-N 3.34Å; A596-S599 WeakPolarHBondContact CA-OG 3.2Å; A596-S599 PolarHBondContact O-OG 3.07Å; A596-G600 PolarHBondContact O-N 3.44Å; A596-N601 PolarHBondContact O-N 3.39Å; A596-N601 VanDerWaalsContact O-N 3.09Å; A596-A604 HydrophobicContact CB-CB 4.3Å; A596-V605 HydrophobicContact CB-CG2 3.79Å; A596-I608 HydrophobicContact CB-CD1 3.96Å
597I91.9Very high91.4Very high4 Ų412.5 Ų12.52%0.0217%0.065CC..Hα-helixtrans-62.3-43.7171.6-66.8166.9000110.3L593 L595 G600 V605 A626 A629 L630 L637 V644 L648L593-I597 HydrophobicContact CD1-CD1 4.32Å; L593-I597 HydrophobicContact CG-CD1 4.2Å; L593-I597 VanDerWaalsContact O-CG1 3.29Å; L593-I597 WeakPolarHBondContact O-CG1 3.36Å; L593-I597 PolarHBondContact O-N 2.83Å; L595-I597 VanDerWaalsContact C-N 3.32Å; I597-G600 PolarHBondContact O-N 2.62Å; I597-V605 HydrophobicContact CG1-CG1 4.46Å; I597-V605 HydrophobicContact CG1-CG2 3.69Å; I597-A626 HydrophobicContact CD1-CB 3.99Å; I597-A629 HydrophobicContact CG2-CB 4.2Å; I597-L630 HydrophobicContact CG2-CB 3.87Å; I597-L630 HydrophobicContact CG2-CD1 4.16Å; I597-L637 WeakPolarHBondContact O-CD2 3.42Å; I597-V644 HydrophobicContact CG1-CG1 4.1Å; I597-L648 HydrophobicContact CD1-CD1 4.02Å; I597-L648 HydrophobicContact CD1-CD2 4.29Å
598A89.9Confident91.6Very high5 Ų512.4 Ų12.44%0.0417%0.065CC..Hα-helixtrans-69.9-35.2-177.700000113.6Y511 S594 L595 A596 G600 Y635 L637Y511-A598 HydrophobicContact CE1-CB 3.9Å; S594-A598 WeakPolarHBondContact O-CB 3.23Å; S594-A598 PolarHBondContact O-N 2.99Å; L595-A598 PolarHBondContact O-N 3.13Å; L595-A598 VanDerWaalsContact O-N 3.15Å; A596-A598 VanDerWaalsContact C-N 3.34Å; A598-G600 VanDerWaalsContact C-N 3.33Å; A598-Y635 HydrophobicContact CB-CD1 4.25Å; A598-Y635 HydrophobicContact CB-CD2 3.51Å; A598-Y635 HydrophobicContact CB-CE1 4.33Å; A598-Y635 HydrophobicContact CB-CE2 3.6Å; A598-Y635 HydrophobicContact CB-CG 3.89Å; A598-L637 VanDerWaalsContact O-CD2 3.23Å; A598-L637 WeakPolarHBondContact O-CD2 3.45Å
599S87.9Confident92Very high13 Ų1313.6 Ų13.69%0.0917%0.071CC..Hα-helixtrans-73.7-26.3173.263.10000112.2C560 L595 A596C560-S599 WeakPolarHBondContact O-CB 3.09Å; C560-S599 PolarHBondContact O-OG 2.93Å; L595-S599 PolarHBondContact O-N 3.07Å; L595-S599 PolarHBondContact O-OG 3.37Å; A596-S599 WeakPolarHBondContact CA-OG 3.2Å; A596-S599 PolarHBondContact O-OG 3.07Å
600G87.7Confident92.4Very high8 Ų819.5 Ų19.58%0.08210%0.096CC..THydrogen-bonded Turntrans88.622.6179.700000113.9A596 I597 A598 D602A596-G600 PolarHBondContact O-N 3.44Å; I597-G600 PolarHBondContact O-N 2.62Å; A598-G600 VanDerWaalsContact C-N 3.33Å; G600-D602 PolarHBondContact O-N 2.96Å
601N89.6Confident92.5Very high0 Ų022.1 Ų22.10%012%0.118CC..  trans-8588.5175.6-173.8-12000110.3Y566 A596 A604 V605Y566-N601 HydrophobicContact CD1-CB 3.58Å; Y566-N601 VanDerWaalsContact CD1-CG 3.43Å; Y566-N601 HydrophobicContact CE1-CB 3.8Å; Y566-N601 HydrophobicContact CG-CB 4.48Å; A596-N601 PolarHBondContact O-N 3.39Å; A596-N601 VanDerWaalsContact O-N 3.09Å; N601-A604 HydrophobicContact CB-CB 4.12Å; N601-A604 VanDerWaalsContact ND2-CB 3.35Å; N601-A604 WeakPolarHBondContact ND2-CB 3.27Å; N601-A604 PolarHBondContact O-N 3.04Å; N601-A604 WeakPolarHBondContact OD1-CB 3.31Å; N601-A604 PolarHBondContact OD1-N 2.92Å; N601-V605 WeakPolarHBondContact O-CG2 3.48Å; N601-V605 PolarHBondContact O-N 3.38Å; N601-V605 VanDerWaalsContact O-N 3.17Å
602D90.8Very high92.4Very high32 Ų3224.9 Ų24.917%0.17115%0.146CC..Hα-helixtrans-71.5-27.2-176.864.5-63.1000113.7G600 V605 E606 K643 V644 M647G600-D602 PolarHBondContact O-N 2.96Å; D602-V605 PolarHBondContact O-N 3.35Å; D602-E606 PolarHBondContact O-N 3.15Å; D602-E606 VanDerWaalsContact O-N 3.11Å; D602-K643 IonicContact OD2-NZ 2.58Å; D602-K643 PolarHBondContact OD2-NZ 3.42Å; D602-V644 HydrophobicContact CB-CG2 3.88Å; D602-M647 HydrophobicContact CB-CE 4.35Å
603E90.7Very high92.3Very high75 Ų7525.2 Ų25.235%0.3515%0.149SC..Hα-helixtrans-65.3-45.6173.3-64.8-179.3-17100111S567 C570 V605 E606 E607S567-E603 WeakPolarHBondContact CA-OE2 3.07Å; C570-E603 HydrophobicContact CB-CB 3.97Å; E603-V605 VanDerWaalsContact C-N 3.35Å; E603-V605 PolarHBondContact O-N 3.37Å; E603-E606 WeakPolarHBondContact O-CB 3.42Å; E603-E606 PolarHBondContact O-N 3.07Å; E603-E607 PolarHBondContact O-N 3.39Å; E603-E607 VanDerWaalsContact O-N 3.17Å
604A92.8Very high92.2Very high0 Ų028.7 Ų28.70%017%0.168CC..Hα-helixtrans-65.4-36.8175.600000112.5V573 A596 N601 E606 E607 I608V573-A604 HydrophobicContact CG2-CB 4.2Å; A596-A604 HydrophobicContact CB-CB 4.3Å; N601-A604 HydrophobicContact CB-CB 4.12Å; N601-A604 VanDerWaalsContact ND2-CB 3.35Å; N601-A604 WeakPolarHBondContact ND2-CB 3.27Å; N601-A604 PolarHBondContact O-N 3.04Å; N601-A604 WeakPolarHBondContact OD1-CB 3.31Å; N601-A604 PolarHBondContact OD1-N 2.92Å; A604-E606 VanDerWaalsContact C-N 3.3Å; A604-E606 PolarHBondContact O-N 3.2Å; A604-E607 PolarHBondContact O-N 2.99Å; A604-I608 HydrophobicContact CB-CD1 4.48Å; A604-I608 WeakPolarHBondContact O-CB 3.25Å; A604-I608 VanDerWaalsContact O-CD1 3.28Å; A604-I608 WeakPolarHBondContact O-CD1 3.2Å; A604-I608 WeakPolarHBondContact O-CG1 3.32Å; A604-I608 PolarHBondContact O-N 3.46Å
605V93.8Very high92.1Very high0 Ų029.1 Ų29.10%017%0.171CC..Hα-helixtrans-59.2-44.2174.6170.80000111L593 A596 I597 N601 D602 E603 I608 L609 V644 M647L593-V605 HydrophobicContact CD1-CG1 3.97Å; A596-V605 HydrophobicContact CB-CG2 3.79Å; I597-V605 HydrophobicContact CG1-CG1 4.46Å; I597-V605 HydrophobicContact CG1-CG2 3.69Å; N601-V605 WeakPolarHBondContact O-CG2 3.48Å; N601-V605 PolarHBondContact O-N 3.38Å; N601-V605 VanDerWaalsContact O-N 3.17Å; D602-V605 PolarHBondContact O-N 3.35Å; E603-V605 VanDerWaalsContact C-N 3.35Å; E603-V605 PolarHBondContact O-N 3.37Å; V605-I608 PolarHBondContact O-N 2.97Å; V605-L609 HydrophobicContact CG1-CD1 3.91Å; V605-L609 HydrophobicContact CG1-CG 4.44Å; V605-L609 VanDerWaalsContact O-CG 3.3Å; V605-L609 WeakPolarHBondContact O-CG 3.47Å; V605-L609 PolarHBondContact O-N 3.1Å; V605-V644 HydrophobicContact CG1-CG1 4.2Å; V605-M647 HydrophobicContact CB-CE 4.34Å; V605-M647 HydrophobicContact CG1-CE 3.99Å
606E93.6Very high92Very high66 Ų6631.2 Ų31.231%0.30818%0.182SC..Hα-helixtrans-60-47178.5-165.5-178.5145.600111.5D602 E603 A604 L609 K610 K643 M647D602-E606 PolarHBondContact O-N 3.15Å; D602-E606 VanDerWaalsContact O-N 3.11Å; E603-E606 WeakPolarHBondContact O-CB 3.42Å; E603-E606 PolarHBondContact O-N 3.07Å; A604-E606 VanDerWaalsContact C-N 3.3Å; A604-E606 PolarHBondContact O-N 3.2Å; E606-L609 PolarHBondContact O-N 3.23Å; E606-K610 WeakPolarHBondContact O-CG 3.49Å; E606-K610 PolarHBondContact O-N 3.15Å; E606-K610 WeakPolarHBondContact OE1-CE 3.42Å; E606-K610 IonicContact OE1-NZ 2.74Å; E606-K610 PolarHBondContact OE1-NZ 3.21Å; E606-K643 IonicContact OE2-NZ 3.77Å; E606-K643 PolarHBondContact OE2-NZ 3.27Å; E606-M647 HydrophobicContact CB-SD 3.75Å; E606-M647 HydrophobicContact CG-SD 3.87Å
607E94.6Very high91.8Very high48 Ų4832.7 Ų32.722%0.22419%0.19CC..Hα-helixtrans-67.9-38.8179.4-69.3-51.6128.500113.4C570 V573 E603 A604 L609 K610 A611C570-E607 VanDerWaalsContact SG-CG 3.55Å; V573-E607 HydrophobicContact CG1-CB 4.46Å; E603-E607 PolarHBondContact O-N 3.39Å; E603-E607 VanDerWaalsContact O-N 3.17Å; A604-E607 PolarHBondContact O-N 2.99Å; E607-L609 VanDerWaalsContact C-N 3.34Å; E607-L609 PolarHBondContact O-N 3.12Å; E607-K610 PolarHBondContact O-N 3.29Å; E607-K610 IonicContact OE1-NZ 3.13Å; E607-K610 PolarHBondContact OE1-NZ 3.3Å; E607-A611 PolarHBondContact O-N 3.25Å
608I95.7Very high91.3Very high0 Ų035.7 Ų35.70%021%0.209CC..Hα-helixtrans-64.9-39.8177.2-67.3162.1000111.1C560 V573 L577 T583 L593 A596 A604 V605 A611 G612 A613C560-I608 WeakPolarHBondContact SG-CD1 3.17Å; V573-I608 HydrophobicContact CG1-CD1 4.3Å; V573-I608 HydrophobicContact CG1-CG1 3.79Å; L577-I608 HydrophobicContact CD1-CG1 4.13Å; T583-I608 HydrophobicContact CG2-CG2 4.17Å; L593-I608 HydrophobicContact CB-CG2 3.89Å; L593-I608 HydrophobicContact CD1-CB 4.4Å; L593-I608 HydrophobicContact CD1-CG2 4.04Å; L593-I608 HydrophobicContact CG-CG2 4.49Å; A596-I608 HydrophobicContact CB-CD1 3.96Å; A604-I608 HydrophobicContact CB-CD1 4.48Å; A604-I608 WeakPolarHBondContact O-CB 3.25Å; A604-I608 VanDerWaalsContact O-CD1 3.28Å; A604-I608 WeakPolarHBondContact O-CD1 3.2Å; A604-I608 WeakPolarHBondContact O-CG1 3.32Å; A604-I608 PolarHBondContact O-N 3.46Å; V605-I608 PolarHBondContact O-N 2.97Å; I608-A611 PolarHBondContact O-N 3.34Å; I608-G612 PolarHBondContact O-N 3.26Å; I608-A613 HydrophobicContact CG2-CB 3.41Å; I608-A613 VanDerWaalsContact CG2-CB 3.41Å; I608-A613 VanDerWaalsContact O-CB 3.3Å; I608-A613 WeakPolarHBondContact O-CB 3.29Å; I608-A613 PolarHBondContact O-N 3.3Å
609L94.8Very high91.2Very high26 Ų2636 Ų3614%0.13621%0.21CC..Hα-helixtrans-68.5-39.8175.5-69.4173.4000111.7L593 V605 E606 E607 A611 G612 M647 L648 A651L593-L609 HydrophobicContact CD1-CD2 4.02Å; L593-L609 HydrophobicContact CD1-CG 4.04Å; L593-L609 HydrophobicContact CD2-CD2 3.83Å; V605-L609 HydrophobicContact CG1-CD1 3.91Å; V605-L609 HydrophobicContact CG1-CG 4.44Å; V605-L609 VanDerWaalsContact O-CG 3.3Å; V605-L609 WeakPolarHBondContact O-CG 3.47Å; V605-L609 PolarHBondContact O-N 3.1Å; E606-L609 PolarHBondContact O-N 3.23Å; E607-L609 VanDerWaalsContact C-N 3.34Å; E607-L609 PolarHBondContact O-N 3.12Å; L609-A611 PolarHBondContact O-N 2.9Å; L609-G612 PolarHBondContact O-N 2.97Å; L609-M647 HydrophobicContact CD1-CB 3.97Å; L609-L648 HydrophobicContact CD1-CD2 4.29Å; L609-L648 HydrophobicContact CD2-CD2 4.34Å; L609-A651 HydrophobicContact CD1-CB 4.37Å; L609-A651 HydrophobicContact CD2-CB 3.86Å
610K93.9Very high90.8Very high127 Ų12736.1 Ų36.155%0.55221%0.213SC*.Hα-helixtrans-60.1-34.6173.2-75.3171.5-172.3160.20112.4E606 E607 G612E606-K610 WeakPolarHBondContact O-CG 3.49Å; E606-K610 PolarHBondContact O-N 3.15Å; E606-K610 WeakPolarHBondContact OE1-CE 3.42Å; E606-K610 IonicContact OE1-NZ 2.74Å; E606-K610 PolarHBondContact OE1-NZ 3.21Å; E607-K610 PolarHBondContact O-N 3.29Å; E607-K610 IonicContact OE1-NZ 3.13Å; E607-K610 PolarHBondContact OE1-NZ 3.3Å; K610-G612 PolarHBondContact O-N 2.84Å
611A93.2Very high90.2Very high56 Ų5641.8 Ų41.846%0.46323%0.232SC..THydrogen-bonded Turntrans-74.2-2.4175.500000114.1L577 E607 I608 L609L577-A611 HydrophobicContact CB-CB 4.19Å; L577-A611 HydrophobicContact CD1-CB 3.77Å; L577-A611 HydrophobicContact CD2-CB 3.99Å; L577-A611 HydrophobicContact CG-CB 4.2Å; E607-A611 PolarHBondContact O-N 3.25Å; I608-A611 PolarHBondContact O-N 3.34Å; L609-A611 PolarHBondContact O-N 2.9Å
612G91.3Very high89.6Confident61 Ų6143.7 Ų43.763%0.62924%0.239SC*.THydrogen-bonded Turntrans9221.7173.500000115.1I608 L609 K610I608-G612 PolarHBondContact O-N 3.26Å; L609-G612 PolarHBondContact O-N 2.97Å; K610-G612 PolarHBondContact O-N 2.84Å
613A93.9Very high89.2Confident7 Ų742.2 Ų42.26%0.05823%0.231CC..  trans-61.2136.2174.200000112T583 L593 I608 P615T583-A613 HydrophobicContact CG2-CB 3.92Å; L593-A613 HydrophobicContact CD2-CB 4.4Å; I608-A613 HydrophobicContact CG2-CB 3.41Å; I608-A613 VanDerWaalsContact CG2-CB 3.41Å; I608-A613 VanDerWaalsContact O-CB 3.3Å; I608-A613 WeakPolarHBondContact O-CB 3.29Å; I608-A613 PolarHBondContact O-N 3.3Å; A613-P615 VanDerWaalsContact O-CD 3.25Å; A613-P615 WeakPolarHBondContact O-CD 3.1Å
614D91.1Very high88.8Confident75 Ų7538.8 Ų38.840%0.40122%0.217SC..  trans-79.1113.5177.5-177.610.4000111.3N616 L617D614-N616 PolarHBondContact O-N 3.21Å; D614-N616 WeakPolarHBondContact OD1-CA 3.02Å; D614-N616 VanDerWaalsContact OD1-CB 3.28Å; D614-N616 WeakPolarHBondContact OD1-CB 3.42Å; D614-N616 PolarHBondContact OD1-N 2.98Å; D614-L617 HydrophobicContact CB-CB 4.47Å; D614-L617 WeakPolarHBondContact O-CB 3.26Å; D614-L617 PolarHBondContact O-N 2.69Å
615P91.6Very high88.7Confident9 Ų939 Ų396%0.05822%0.218CC..THydrogen-bonded Turntrans-69.1-14.1175.329.8-34.8000113.3L593 A613 A626 L648 A651 A653L593-P615 HydrophobicContact CD2-CB 4.27Å; A613-P615 VanDerWaalsContact O-CD 3.25Å; A613-P615 WeakPolarHBondContact O-CD 3.1Å; P615-A626 HydrophobicContact CB-CB 4.48Å; P615-A626 WeakPolarHBondContact O-CB 3.44Å; P615-L648 HydrophobicContact CB-CD2 3.87Å; P615-A651 HydrophobicContact CG-CB 4.22Å; P615-A651 VanDerWaalsContact CG-O 3.26Å; P615-A651 WeakPolarHBondContact CG-O 3.35Å; P615-A653 HydrophobicContact CB-CB 3.93Å; P615-A653 HydrophobicContact CG-CB 4.11Å
616N90.1Very high88.5Confident43 Ų4339.1 Ų39.123%0.2322%0.219CC..THydrogen-bonded Turntrans-96.96.9179.4-56.4-59.1000113.2D614 P618 D652 N654 M657D614-N616 PolarHBondContact O-N 3.21Å; D614-N616 WeakPolarHBondContact OD1-CA 3.02Å; D614-N616 VanDerWaalsContact OD1-CB 3.28Å; D614-N616 WeakPolarHBondContact OD1-CB 3.42Å; D614-N616 PolarHBondContact OD1-N 2.98Å; N616-P618 WeakPolarHBondContact O-CD 3.28Å; N616-D652 PolarHBondContact ND2-O 2.95Å; N616-N654 WeakPolarHBondContact OD1-CA 3.33Å; N616-N654 WeakPolarHBondContact OD1-CB 3.41Å; N616-N654 PolarHBondContact OD1-N 3.37Å; N616-M657 WeakPolarHBondContact O-CE 3.35Å
617L88.8Confident88.4Confident32 Ų3236.4 Ų36.417%0.16821%0.207CC..PPolyproline II helixtrans-55.6122.3174-17573.9000109.3D584 L586 D614 L619D584-L617 HydrophobicContact CB-CD1 4.44Å; D584-L617 HydrophobicContact CB-CD2 4.33Å; L586-L617 HydrophobicContact CD2-CD2 4.02Å; D614-L617 HydrophobicContact CB-CB 4.47Å; D614-L617 WeakPolarHBondContact O-CB 3.26Å; D614-L617 PolarHBondContact O-N 2.69Å; L617-L619 HydrophobicContact CD2-CD2 4.38Å; L617-L619 PolarHBondContact O-N 3.47Å
618P82.3Confident88.2Confident67 Ų6734.1 Ų34.144%0.43520%0.196SC..PPolyproline II helixtrans-64.7122.2177.325.4-32.5000109.4L548 N616 M657L548-P618 WeakPolarHBondContact CD2-O 3.46Å; N616-P618 WeakPolarHBondContact O-CD 3.28Å; P618-M657 HydrophobicContact CB-CE 4.04Å
619L87Confident88Confident12 Ų1234.1 Ų34.16%0.06320%0.196CC..PPolyproline II helixtrans-96170.6-179.3-59.3179.9000110.7L586 G589 S594 L617 V623 G624 S625L586-L619 HydrophobicContact CD2-CD2 3.85Å; G589-L619 WeakPolarHBondContact O-CB 3.48Å; S594-L619 WeakPolarHBondContact OG-CD1 3.34Å; L617-L619 HydrophobicContact CD2-CD2 4.38Å; L617-L619 PolarHBondContact O-N 3.47Å; L619-V623 HydrophobicContact CB-CB 4.05Å; L619-V623 HydrophobicContact CB-CG1 4.38Å; L619-V623 HydrophobicContact CD1-CB 4.15Å; L619-V623 HydrophobicContact CD1-CG1 3.55Å; L619-G624 WeakPolarHBondContact CB-O 3.41Å; L619-G624 PolarHBondContact N-O 2.86Å; L619-G624 VanDerWaalsContact N-O 3.1Å; L619-S625 VanDerWaalsContact CD1-C 3.41Å
620G78.9Confident87.8Confident14 Ų1433 Ų3314%0.14419%0.19CC..PPolyproline II helixtrans-57.3153.1174.400000111.5G589 R622 V623 G624G589-G620 PolarHBondContact O-N 3.39Å; G620-R622 PolarHBondContact O-N 2.87Å; G620-V623 PolarHBondContact O-N 3.45Å; G620-G624 PolarHBondContact O-N 2.81Å
621W76Confident87.5Confident128 Ų12826.9 Ų26.949%0.48516%0.163SC..THydrogen-bonded Turntrans-55.2-24.3-173.270.2-90.6000114.8L521 V623 P660L521-W621 HydrophobicContact CD1-CH2 3.72Å; L521-W621 HydrophobicContact CD1-CZ3 3.74Å; W621-V623 VanDerWaalsContact C-N 3.34Å; W621-P660 HydrophobicContact CB-CG 4.41Å
622R75.9Confident87.2Confident40 Ų4024.2 Ų24.215%0.15114%0.141CC..THydrogen-bonded Turntrans-74-22.8175.9-69.3-173.1-70-89.61.5113.8G620 F671G620-R622 PolarHBondContact O-N 2.87Å; R622-F671 WeakPolarHBondContact O-CZ 3.37Å
623V82.1Confident86.7Confident0 Ų021.9 Ų21.90%011%0.114CC..THydrogen-bonded Turntrans-112.7-42-173.8-1670000110.9H590 L619 G620 W621 S625 C628 A629H590-V623 WeakPolarHBondContact NE2-CG2 3.23Å; L619-V623 HydrophobicContact CB-CB 4.05Å; L619-V623 HydrophobicContact CB-CG1 4.38Å; L619-V623 HydrophobicContact CD1-CB 4.15Å; L619-V623 HydrophobicContact CD1-CG1 3.55Å; G620-V623 PolarHBondContact O-N 3.45Å; W621-V623 VanDerWaalsContact C-N 3.34Å; V623-S625 PolarHBondContact O-N 2.96Å; V623-S625 VanDerWaalsContact O-N 3.13Å; V623-C628 WeakPolarHBondContact O-CB 3.46Å; V623-A629 HydrophobicContact CG1-CB 3.92Å
624G84.2Confident85.9Confident4 Ų422.8 Ų22.84%0.04112%0.118CC..  trans81.7-73.7176.500000114.5L619 G620L619-G624 WeakPolarHBondContact CB-O 3.41Å; L619-G624 PolarHBondContact N-O 2.86Å; L619-G624 VanDerWaalsContact N-O 3.1Å; G620-G624 PolarHBondContact O-N 2.81Å
625S89.1Confident85.4Confident4 Ų419.3 Ų19.33%0.02810%0.099CC..SBendtrans-149.9170.2-179.968.60000111.3L619 V623 L627 C628 A629L619-S625 VanDerWaalsContact CD1-C 3.41Å; V623-S625 PolarHBondContact O-N 2.96Å; V623-S625 VanDerWaalsContact O-N 3.13Å; S625-L627 VanDerWaalsContact C-N 3.27Å; S625-L627 PolarHBondContact O-N 2.84Å; S625-C628 WeakPolarHBondContact O-CB 3.42Å; S625-C628 PolarHBondContact O-N 2.93Å; S625-C628 VanDerWaalsContact O-N 3.09Å; S625-C628 PolarHBondContact OG-N 3.31Å; S625-C628 VanDerWaalsContact OG-N 3.12Å; S625-C628 PolarHBondContact OG-SG 3.21Å; S625-A629 PolarHBondContact O-N 3.37Å
626A91.2Very high84.2Confident3 Ų330.2 Ų30.23%0.02514%0.139CC..Hα-helixtrans-58.3-38.9175.100000112.3L593 I597 P615 A629 L630 L648L593-A626 HydrophobicContact CD2-CB 4.33Å; I597-A626 HydrophobicContact CD1-CB 3.99Å; P615-A626 HydrophobicContact CB-CB 4.48Å; P615-A626 WeakPolarHBondContact O-CB 3.44Å; A626-A629 WeakPolarHBondContact O-CB 3.34Å; A626-A629 PolarHBondContact O-N 3.02Å; A626-L630 PolarHBondContact O-N 3.21Å; A626-L648 HydrophobicContact CB-CD2 4.25Å
627L91.4Very high83Confident9 Ų929.4 Ų29.45%0.04714%0.135CC..Hα-helixtrans-68.2-34.7175-71.6170.6000112.4S625 L630 A631 L645 L648 A653 I655 A668 M708S625-L627 VanDerWaalsContact C-N 3.27Å; S625-L627 PolarHBondContact O-N 2.84Å; L627-L630 PolarHBondContact O-N 2.95Å; L627-A631 WeakPolarHBondContact O-CB 3.22Å; L627-A631 PolarHBondContact O-N 3.46Å; L627-L645 HydrophobicContact CD2-CD1 3.87Å; L627-L648 HydrophobicContact CD2-CB 4.31Å; L627-L648 HydrophobicContact CD2-CD1 3.9Å; L627-A653 HydrophobicContact CD1-CB 3.86Å; L627-A653 HydrophobicContact CD2-CB 4.34Å; L627-A653 HydrophobicContact CG-CB 4.07Å; L627-I655 HydrophobicContact CD1-CB 4.12Å; L627-I655 HydrophobicContact CD1-CD1 3.85Å; L627-A668 HydrophobicContact CB-CB 3.87Å; L627-M708 HydrophobicContact CB-CE 4.25Å; L627-M708 HydrophobicContact CD2-CE 4.49Å
628C90.1Very high81.4Confident0 Ų031.3 Ų31.30%016%0.162CC..Hα-helixtrans-65.1-42172-68.10000111.5V623 S625 L630 A631 N632 A668 F671V623-C628 WeakPolarHBondContact O-CB 3.46Å; S625-C628 WeakPolarHBondContact O-CB 3.42Å; S625-C628 PolarHBondContact O-N 2.93Å; S625-C628 VanDerWaalsContact O-N 3.09Å; S625-C628 PolarHBondContact OG-N 3.31Å; S625-C628 VanDerWaalsContact OG-N 3.12Å; S625-C628 PolarHBondContact OG-SG 3.21Å; C628-L630 PolarHBondContact O-N 3.33Å; C628-A631 CarbonylContact O-C 3.51Å; C628-A631 PolarHBondContact O-N 3.19Å; C628-N632 WeakPolarHBondContact O-CB 3.46Å; C628-N632 PolarHBondContact O-N 3.5Å; C628-A668 VanDerWaalsContact SG-CA 3.57Å; C628-F671 HydrophobicContact CB-CB 4.48Å; C628-F671 HydrophobicContact CB-CD1 3.59Å; C628-F671 HydrophobicContact CB-CE1 3.95Å; C628-F671 HydrophobicContact CB-CG 3.99Å
629A90Very high80.4Confident0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-60-45.9175.700000111.1I597 V623 S625 A626 A631 N632 Y635I597-A629 HydrophobicContact CG2-CB 4.2Å; V623-A629 HydrophobicContact CG1-CB 3.92Å; S625-A629 PolarHBondContact O-N 3.37Å; A626-A629 WeakPolarHBondContact O-CB 3.34Å; A626-A629 PolarHBondContact O-N 3.02Å; A629-A631 VanDerWaalsContact C-N 3.31Å; A629-A631 PolarHBondContact O-N 3.42Å; A629-N632 WeakPolarHBondContact O-CB 3.18Å; A629-N632 PolarHBondContact O-N 3.36Å; A629-Y635 HydrophobicContact CB-CE2 4.07Å; A629-Y635 WeakPolarHBondContact O-CD2 3.1Å
630L90.6Very high79.9Confident1 Ų133 Ų331%0.00517%0.173CC..Hα-helixtrans-60.2-40.3176.7-179.763.3000112.9I597 A626 L627 C628 N632 L637 R641 V644 L645 L648 L704I597-L630 HydrophobicContact CG2-CB 3.87Å; I597-L630 HydrophobicContact CG2-CD1 4.16Å; A626-L630 PolarHBondContact O-N 3.21Å; L627-L630 PolarHBondContact O-N 2.95Å; C628-L630 PolarHBondContact O-N 3.33Å; L630-N632 VanDerWaalsContact C-N 3.33Å; L630-L637 HydrophobicContact CD1-CD1 4.22Å; L630-R641 HydrophobicContact CD1-CB 4.1Å; L630-R641 HydrophobicContact CD1-CG 4.41Å; L630-R641 PolarHBondContact O-NH1 3.49Å; L630-V644 HydrophobicContact CD1-CB 4.02Å; L630-V644 HydrophobicContact CD1-CG1 3.84Å; L630-V644 HydrophobicContact CD2-CG1 4.33Å; L630-L645 HydrophobicContact CD2-CB 3.84Å; L630-L645 HydrophobicContact CD2-CD1 3.87Å; L630-L645 HydrophobicContact CD2-CG 4.47Å; L630-L648 HydrophobicContact CD2-CD1 4.07Å; L630-L704 HydrophobicContact CD2-CD1 4.44Å; L630-L704 HydrophobicContact CG-CD2 4.33Å
631A89.1Confident80.1Confident0 Ų034.1 Ų34.10%017%0.173CC..Hα-helixtrans-83.3-9.2-178.300000113.5L627 C628 A629 F633 A672 W701 M708L627-A631 WeakPolarHBondContact O-CB 3.22Å; L627-A631 PolarHBondContact O-N 3.46Å; C628-A631 CarbonylContact O-C 3.51Å; C628-A631 PolarHBondContact O-N 3.19Å; A629-A631 VanDerWaalsContact C-N 3.31Å; A629-A631 PolarHBondContact O-N 3.42Å; A631-F633 PolarHBondContact O-N 2.84Å; A631-A672 HydrophobicContact CB-CB 3.55Å; A631-W701 PolarHBondContact O-NE1 3.47Å; A631-M708 HydrophobicContact CB-CE 3.92Å; A631-M708 HydrophobicContact CB-SD 3.73Å
632N87Confident80.7Confident0 Ų030.7 Ų30.70%016%0.164CC..  trans-62.7128.8179.6-162.9-15.5000110C628 A629 L630 N634 Y635 R641 S675C628-N632 WeakPolarHBondContact O-CB 3.46Å; C628-N632 PolarHBondContact O-N 3.5Å; A629-N632 WeakPolarHBondContact O-CB 3.18Å; A629-N632 PolarHBondContact O-N 3.36Å; L630-N632 VanDerWaalsContact C-N 3.33Å; N632-N634 PolarHBondContact OD1-N 2.98Å; N632-Y635 HydrophobicContact CB-CD2 3.65Å; N632-Y635 HydrophobicContact CB-CE2 3.69Å; N632-Y635 HydrophobicContact CB-CG 4.18Å; N632-Y635 PolarHBondContact ND2-OH 2.84Å; N632-R641 PolarHBondContact O-NH1 3.04Å; N632-S675 PolarHBondContact OD1-OG 3.38Å
633F80Confident81.3Confident12 Ų1232.1 Ų32.15%0.05317%0.171CC..SBendtrans-76.4-28.5-176.8-172.6-93.9000112A631 Y635 F676 F682 I697 I698 W701A631-F633 PolarHBondContact O-N 2.84Å; F633-Y635 VanDerWaalsContact C-N 3.29Å; F633-Y635 PolarHBondContact O-N 2.68Å; F633-F676 HydrophobicContact CD1-CD2 4.29Å; F633-F676 AromaticContact CD2-CD2 3.77Å; F633-F676 HydrophobicContact CD2-CD2 3.77Å; F633-F676 HydrophobicContact CD2-CE2 4.28Å; F633-F676 HydrophobicContact CE2-CD2 4.02Å; F633-F676 HydrophobicContact CE2-CE2 4.04Å; F633-F676 AromaticContact CG-CD2 3.92Å; F633-F676 HydrophobicContact CG-CD2 3.92Å; F633-F676 HydrophobicContact CZ-CD2 4.4Å; F633-F676 HydrophobicContact CZ-CE2 4.22Å; F633-F682 HydrophobicContact CE1-CB 4.04Å; F633-F682 HydrophobicContact CE1-CD1 4.04Å; F633-F682 AromaticContact CE1-CD2 3.45Å; F633-F682 HydrophobicContact CE1-CD2 3.45Å; F633-F682 VanDerWaalsContact CE1-CD2 3.45Å; F633-F682 HydrophobicContact CE1-CE1 4.3Å; F633-F682 AromaticContact CE1-CE2 3.75Å; F633-F682 HydrophobicContact CE1-CE2 3.75Å; F633-F682 AromaticContact CE1-CG 3.57Å; F633-F682 HydrophobicContact CE1-CG 3.57Å; F633-F682 HydrophobicContact CE1-CZ 4.16Å; F633-F682 HydrophobicContact CZ-CB 4.21Å; F633-F682 AromaticContact CZ-CD1 3.7Å; F633-F682 HydrophobicContact CZ-CD1 3.7Å; F633-F682 AromaticContact CZ-CD2 4Å; F633-F682 HydrophobicContact CZ-CD2 4Å; F633-F682 AromaticContact CZ-CE1 3.93Å; F633-F682 HydrophobicContact CZ-CE1 3.93Å; F633-F682 HydrophobicContact CZ-CE2 4.21Å; F633-F682 AromaticContact CZ-CG 3.71Å; F633-F682 HydrophobicContact CZ-CG 3.71Å; F633-F682 HydrophobicContact CZ-CZ 4.17Å; F633-I697 HydrophobicContact CE2-CG2 3.94Å; F633-I697 HydrophobicContact CZ-CG2 3.98Å; F633-I698 HydrophobicContact CE2-CG1 4.36Å; F633-I698 HydrophobicContact CZ-CG1 4.35Å; F633-W701 HydrophobicContact CD2-CB 4.26Å; F633-W701 AromaticContact CD2-CD1 3.95Å; F633-W701 AromaticContact CD2-CD2 3.84Å; F633-W701 HydrophobicContact CD2-CD2 3.84Å; F633-W701 HydrophobicContact CD2-CE3 4.38Å; F633-W701 AromaticContact CD2-CG 3.76Å; F633-W701 HydrophobicContact CD2-CG 3.76Å; F633-W701 HydrophobicContact CE2-CB 4.35Å; F633-W701 HydrophobicContact CE2-CD2 4.45Å; F633-W701 HydrophobicContact CE2-CG 4.3Å
634N76.6Confident81.8Confident26 Ų2632.6 Ų32.614%0.13917%0.174CC..SBendtrans-72.4-21.6-175.8-65-28000113.2N632 R636N632-N634 PolarHBondContact OD1-N 2.98Å; N634-R636 PolarHBondContact O-N 2.93Å
635Y81.7Confident82.2Confident2 Ų232.5 Ų32.51%0.00817%0.173CC..SBendtrans-79117177.6-56.7-21.3000109.9Y511 P513 D514 H590 A598 A629 N632 F633 L637 R641Y511-Y635 HydrophobicContact CE1-CE1 4.26Å; P513-Y635 HydrophobicContact CB-CD1 3.66Å; P513-Y635 HydrophobicContact CB-CE1 3.72Å; D514-Y635 VanDerWaalsContact OD1-CE1 3.24Å; D514-Y635 WeakPolarHBondContact OD1-CE1 3.44Å; D514-Y635 PolarHBondContact OD1-OH 3Å; H590-Y635 AromaticContact CE1-CZ 3.86Å; H590-Y635 PolarHBondContact CE1-OH 3.45Å; H590-Y635 VanDerWaalsContact CE1-OH 3.24Å; H590-Y635 PolarHBondContact NE2-OH 3.13Å; A598-Y635 HydrophobicContact CB-CD1 4.25Å; A598-Y635 HydrophobicContact CB-CD2 3.51Å; A598-Y635 HydrophobicContact CB-CE1 4.33Å; A598-Y635 HydrophobicContact CB-CE2 3.6Å; A598-Y635 HydrophobicContact CB-CG 3.89Å; A629-Y635 HydrophobicContact CB-CE2 4.07Å; A629-Y635 WeakPolarHBondContact O-CD2 3.1Å; N632-Y635 HydrophobicContact CB-CD2 3.65Å; N632-Y635 HydrophobicContact CB-CE2 3.69Å; N632-Y635 HydrophobicContact CB-CG 4.18Å; N632-Y635 PolarHBondContact ND2-OH 2.84Å; F633-Y635 VanDerWaalsContact C-N 3.29Å; F633-Y635 PolarHBondContact O-N 2.68Å; Y635-L637 VanDerWaalsContact C-N 3.25Å; Y635-L637 PolarHBondContact O-N 3.03Å; Y635-R641 PolarHBondContact O-NH2 3.12Å
636R65.3Low82.3Confident237 Ų23736.3 Ų36.389%0.89419%0.192SC*.  trans-82.671.7179.5-69.2-168.2179.3-172.62.9110.3N634 G638N634-R636 PolarHBondContact O-N 2.93Å; R636-G638 PolarHBondContact O-N 3.45Å
637L64.9Low82.4Confident27 Ų2737.1 Ų37.114%0.14120%0.196CC..  trans-67.6112.5-178.5-51.6-173.7000110.7I597 A598 L630 Y635 R641I597-L637 WeakPolarHBondContact O-CD2 3.42Å; A598-L637 VanDerWaalsContact O-CD2 3.23Å; A598-L637 WeakPolarHBondContact O-CD2 3.45Å; L630-L637 HydrophobicContact CD1-CD1 4.22Å; Y635-L637 VanDerWaalsContact C-N 3.25Å; Y635-L637 PolarHBondContact O-N 3.03Å; L637-R641 HydrophobicContact CB-CG 4.14Å; L637-R641 HydrophobicContact CD1-CG 3.78Å
638G56.4Low82.5Confident71 Ų7136.7 Ų36.773%0.73219%0.194SC*.  trans-74.2-26.8170.700000113.3R636R636-G638 PolarHBondContact O-N 3.45Å
639G61.2Low82.5Confident26 Ų2638.7 Ų38.727%0.26821%0.21SC..SBendtrans-80.6176-17800000116R641G639-R641 PolarHBondContact O-N 2.8Å; G639-R641 VanDerWaalsContact O-N 3.12Å
640N76.3Confident82.6Confident89 Ų8946.4 Ų46.448%0.47625%0.246SC..  trans-8092-178.7-171.3-3.2000111.4I642 K643 V644N640-I642 PolarHBondContact O-N 3.17Å; N640-I642 WeakPolarHBondContact OD1-CB 3.46Å; N640-I642 PolarHBondContact OD1-N 3.12Å; N640-K643 HydrophobicContact CB-CB 3.98Å; N640-K643 WeakPolarHBondContact O-CB 3.38Å; N640-K643 PolarHBondContact O-N 3.21Å; N640-V644 PolarHBondContact O-N 3.27Å
641R83.5Confident82.7Confident37 Ų3748 Ų4814%0.1426%0.26CS..Hα-helixtrans-51.6-28.4177.7-59.7-166.5-173.4-147-3.6114.1L630 N632 Y635 L637 G639 L645 L704L630-R641 HydrophobicContact CD1-CB 4.1Å; L630-R641 HydrophobicContact CD1-CG 4.41Å; L630-R641 PolarHBondContact O-NH1 3.49Å; N632-R641 PolarHBondContact O-NH1 3.04Å; Y635-R641 PolarHBondContact O-NH2 3.12Å; L637-R641 HydrophobicContact CB-CG 4.14Å; L637-R641 HydrophobicContact CD1-CG 3.78Å; G639-R641 PolarHBondContact O-N 2.8Å; G639-R641 VanDerWaalsContact O-N 3.12Å; R641-L645 PolarHBondContact O-N 2.85Å; R641-L704 HydrophobicContact CB-CD1 4.28Å; R641-L704 HydrophobicContact CB-CD2 4.32Å
642I87.2Confident82.7Confident57 Ų5754.5 Ų54.529%0.29229%0.294SS..Hα-helixtrans-72.6-46.3179.4-57.4174.2000109.7N640 V644 L645 D646 L707N640-I642 PolarHBondContact O-N 3.17Å; N640-I642 WeakPolarHBondContact OD1-CB 3.46Å; N640-I642 PolarHBondContact OD1-N 3.12Å; I642-V644 VanDerWaalsContact C-N 3.26Å; I642-V644 PolarHBondContact O-N 2.77Å; I642-L645 WeakPolarHBondContact O-CB 3.24Å; I642-L645 PolarHBondContact O-N 3.44Å; I642-D646 PolarHBondContact O-N 2.9Å; I642-L707 HydrophobicContact CD1-CD1 4.26Å; I642-L707 HydrophobicContact CG1-CD1 4.05Å; I642-L707 HydrophobicContact CG2-CD1 4.02Å
643K89.8Confident82.9Confident69 Ų6955.3 Ų55.330%0.330%0.302SS..Hα-helixtrans-55-45.2174.3-174.7-169.9168.1-162.70110.7D602 E606 N640 L645 D646 M647D602-K643 IonicContact OD2-NZ 2.58Å; D602-K643 PolarHBondContact OD2-NZ 3.42Å; E606-K643 IonicContact OE2-NZ 3.77Å; E606-K643 PolarHBondContact OE2-NZ 3.27Å; N640-K643 HydrophobicContact CB-CB 3.98Å; N640-K643 WeakPolarHBondContact O-CB 3.38Å; N640-K643 PolarHBondContact O-N 3.21Å; K643-L645 PolarHBondContact O-N 3.49Å; K643-D646 PolarHBondContact O-N 2.66Å; K643-M647 HydrophobicContact CD-CE 4.5Å; K643-M647 HydrophobicContact CG-CE 4.2Å; K643-M647 HydrophobicContact CG-SD 4.46Å; K643-M647 VanDerWaalsContact O-CG 3.31Å; K643-M647 WeakPolarHBondContact O-CG 3.06Å; K643-M647 PolarHBondContact O-N 2.91Å
644V91.4Very high83.3Confident11 Ų1158.4 Ų58.47%0.06732%0.318CS..Hα-helixtrans-65-38.6177.6178.10000112.3I597 D602 V605 L630 N640 I642 D646 M647 L648I597-V644 HydrophobicContact CG1-CG1 4.1Å; D602-V644 HydrophobicContact CB-CG2 3.88Å; V605-V644 HydrophobicContact CG1-CG1 4.2Å; L630-V644 HydrophobicContact CD1-CB 4.02Å; L630-V644 HydrophobicContact CD1-CG1 3.84Å; L630-V644 HydrophobicContact CD2-CG1 4.33Å; N640-V644 PolarHBondContact O-N 3.27Å; I642-V644 VanDerWaalsContact C-N 3.26Å; I642-V644 PolarHBondContact O-N 2.77Å; V644-D646 VanDerWaalsContact C-N 3.34Å; V644-M647 HydrophobicContact CB-CE 4.21Å; V644-M647 HydrophobicContact CG2-CE 3.78Å; V644-M647 PolarHBondContact O-N 2.95Å; V644-L648 HydrophobicContact CG1-CD1 4.17Å; V644-L648 HydrophobicContact CG1-CG 4.42Å; V644-L648 WeakPolarHBondContact O-CB 3.5Å; V644-L648 WeakPolarHBondContact O-CG 2.84Å; V644-L648 PolarHBondContact O-N 2.83Å
645L92.8Very high83.8Confident2 Ų257.3 Ų57.31%0.0131%0.313CS..Hα-helixtrans-61.6-43.9174.5-175.863.5000111.5L627 L630 R641 I642 K643 L648 A649 L704 L707 M708 L711L627-L645 HydrophobicContact CD2-CD1 3.87Å; L630-L645 HydrophobicContact CD2-CB 3.84Å; L630-L645 HydrophobicContact CD2-CD1 3.87Å; L630-L645 HydrophobicContact CD2-CG 4.47Å; R641-L645 PolarHBondContact O-N 2.85Å; I642-L645 WeakPolarHBondContact O-CB 3.24Å; I642-L645 PolarHBondContact O-N 3.44Å; K643-L645 PolarHBondContact O-N 3.49Å; L645-L648 PolarHBondContact O-N 3.13Å; L645-A649 WeakPolarHBondContact O-CB 3.16Å; L645-A649 PolarHBondContact O-N 3.37Å; L645-L704 HydrophobicContact CB-CD1 4.3Å; L645-L704 HydrophobicContact CD2-CD1 3.93Å; L645-L707 HydrophobicContact CD2-CB 3.75Å; L645-M708 HydrophobicContact CD1-CG 3.96Å; L645-M708 HydrophobicContact CD2-CG 4.03Å; L645-L711 HydrophobicContact CD1-CD1 3.72Å; L645-L711 HydrophobicContact CD2-CD1 3.85Å; L645-L711 HydrophobicContact CG-CD1 3.75Å
646D91.6Very high84Confident83 Ų8358.5 Ų58.544%0.44432%0.319SS..Hα-helixtrans-64.3-44.9178.5-64.7-29.1000110.5I642 K643 V644 L648 A649 E650I642-D646 PolarHBondContact O-N 2.9Å; K643-D646 PolarHBondContact O-N 2.66Å; V644-D646 VanDerWaalsContact C-N 3.34Å; D646-L648 PolarHBondContact O-N 3.04Å; D646-A649 PolarHBondContact O-N 2.67Å; D646-A649 VanDerWaalsContact O-N 3.17Å; D646-E650 WeakPolarHBondContact O-CG 3.31Å; D646-E650 PolarHBondContact O-N 3.47Å
647M93.5Very high84.9Confident21 Ų2149 Ų4910%0.10329%0.285CS..Hα-helixtrans-59.6-43.1175.3-70.1-173.4-62.200112.6D602 V605 E606 L609 K643 V644 E650 A651D602-M647 HydrophobicContact CB-CE 4.35Å; V605-M647 HydrophobicContact CB-CE 4.34Å; V605-M647 HydrophobicContact CG1-CE 3.99Å; E606-M647 HydrophobicContact CB-SD 3.75Å; E606-M647 HydrophobicContact CG-SD 3.87Å; L609-M647 HydrophobicContact CD1-CB 3.97Å; K643-M647 HydrophobicContact CD-CE 4.5Å; K643-M647 HydrophobicContact CG-CE 4.2Å; K643-M647 HydrophobicContact CG-SD 4.46Å; K643-M647 VanDerWaalsContact O-CG 3.31Å; K643-M647 WeakPolarHBondContact O-CG 3.06Å; K643-M647 PolarHBondContact O-N 2.91Å; V644-M647 HydrophobicContact CB-CE 4.21Å; V644-M647 HydrophobicContact CG2-CE 3.78Å; V644-M647 PolarHBondContact O-N 2.95Å; M647-E650 PolarHBondContact O-N 2.91Å; M647-A651 WeakPolarHBondContact O-CB 3.3Å; M647-A651 PolarHBondContact O-N 3Å
648L93.5Very high85.7Confident0 Ų054.3 Ų54.30%031%0.309CS..Hα-helixtrans-66.6-37.8176-72.4174.1000111.9L593 I597 L609 P615 A626 L627 L630 V644 L645 D646 A651 D652 A653L593-L648 HydrophobicContact CD2-CD2 4.43Å; I597-L648 HydrophobicContact CD1-CD1 4.02Å; I597-L648 HydrophobicContact CD1-CD2 4.29Å; L609-L648 HydrophobicContact CD1-CD2 4.29Å; L609-L648 HydrophobicContact CD2-CD2 4.34Å; P615-L648 HydrophobicContact CB-CD2 3.87Å; A626-L648 HydrophobicContact CB-CD2 4.25Å; L627-L648 HydrophobicContact CD2-CB 4.31Å; L627-L648 HydrophobicContact CD2-CD1 3.9Å; L630-L648 HydrophobicContact CD2-CD1 4.07Å; V644-L648 HydrophobicContact CG1-CD1 4.17Å; V644-L648 HydrophobicContact CG1-CG 4.42Å; V644-L648 WeakPolarHBondContact O-CB 3.5Å; V644-L648 WeakPolarHBondContact O-CG 2.84Å; V644-L648 PolarHBondContact O-N 2.83Å; L645-L648 PolarHBondContact O-N 3.13Å; D646-L648 PolarHBondContact O-N 3.04Å; L648-A651 CarbonylContact O-C 3.45Å; L648-A651 PolarHBondContact O-N 3.48Å; L648-D652 PolarHBondContact O-N 2.9Å; L648-A653 HydrophobicContact CB-CB 3.91Å; L648-A653 WeakPolarHBondContact O-CB 3.39Å; L648-A653 PolarHBondContact O-N 3.36Å
649A90.6Very high86.8Confident42 Ų4251.1 Ų51.135%0.34728%0.275SS..Hα-helixtrans-67-37.1176.600000112L645 D646 A651 D652 L711L645-A649 WeakPolarHBondContact O-CB 3.16Å; L645-A649 PolarHBondContact O-N 3.37Å; D646-A649 PolarHBondContact O-N 2.67Å; D646-A649 VanDerWaalsContact O-N 3.17Å; A649-A651 VanDerWaalsContact C-N 3.29Å; A649-D652 PolarHBondContact O-N 3.44Å; A649-L711 HydrophobicContact CB-CD2 4.48Å
650E91.6Very high87.5Confident161 Ų16152.4 Ų52.475%0.75228%0.279SS*.Hα-helixtrans-66.8-30.3172.9-72.9176.1-177.300112.5D646 M647 D652D646-E650 WeakPolarHBondContact O-CG 3.31Å; D646-E650 PolarHBondContact O-N 3.47Å; M647-E650 PolarHBondContact O-N 2.91Å; E650-D652 VanDerWaalsContact C-N 3.26Å; E650-D652 PolarHBondContact O-N 3.27Å
651A92.5Very high87.5Confident35 Ų3548.2 Ų48.229%0.28926%0.257SS..THydrogen-bonded Turntrans-85.618.517400000114L609 P615 M647 L648 A649 A653L609-A651 HydrophobicContact CD1-CB 4.37Å; L609-A651 HydrophobicContact CD2-CB 3.86Å; P615-A651 HydrophobicContact CG-CB 4.22Å; P615-A651 VanDerWaalsContact CG-O 3.26Å; P615-A651 WeakPolarHBondContact CG-O 3.35Å; M647-A651 WeakPolarHBondContact O-CB 3.3Å; M647-A651 PolarHBondContact O-N 3Å; L648-A651 CarbonylContact O-C 3.45Å; L648-A651 PolarHBondContact O-N 3.48Å; A649-A651 VanDerWaalsContact C-N 3.29Å; A651-A653 PolarHBondContact O-N 3.36Å
652D89.9Confident86.8Confident136 Ų13649 Ų4973%0.72728%0.276SS*.THydrogen-bonded Turntrans59.137.7178.8-70.1-43000114.9N616 L648 A649 E650 N654N616-D652 PolarHBondContact ND2-O 2.95Å; L648-D652 PolarHBondContact O-N 2.9Å; A649-D652 PolarHBondContact O-N 3.44Å; E650-D652 VanDerWaalsContact C-N 3.26Å; E650-D652 PolarHBondContact O-N 3.27Å; D652-N654 PolarHBondContact O-N 2.7Å
653A91Very high85.7Confident18 Ų1854.3 Ų54.315%0.14930%0.3CS..  trans-63.4122.1172.500000112.1P615 L627 L648 A651 I655P615-A653 HydrophobicContact CB-CB 3.93Å; P615-A653 HydrophobicContact CG-CB 4.11Å; L627-A653 HydrophobicContact CD1-CB 3.86Å; L627-A653 HydrophobicContact CD2-CB 4.34Å; L627-A653 HydrophobicContact CG-CB 4.07Å; L648-A653 HydrophobicContact CB-CB 3.91Å; L648-A653 WeakPolarHBondContact O-CB 3.39Å; L648-A653 PolarHBondContact O-N 3.36Å; A651-A653 PolarHBondContact O-N 3.36Å; A653-I655 PolarHBondContact O-N 3.02Å
654N88Confident84.8Confident76 Ų7652.5 Ų52.541%0.40630%0.3SS..  trans-84.396-175.8-176.37.7000111.5N616 D652 L656 M657N616-N654 WeakPolarHBondContact OD1-CA 3.33Å; N616-N654 WeakPolarHBondContact OD1-CB 3.41Å; N616-N654 PolarHBondContact OD1-N 3.37Å; D652-N654 PolarHBondContact O-N 2.7Å; N654-L656 PolarHBondContact O-N 3Å; N654-L656 WeakPolarHBondContact OD1-CA 3.3Å; N654-L656 VanDerWaalsContact OD1-CB 3.29Å; N654-L656 WeakPolarHBondContact OD1-CB 3.2Å; N654-L656 PolarHBondContact OD1-N 2.99Å; N654-M657 HydrophobicContact CB-CB 4.3Å; N654-M657 WeakPolarHBondContact O-CB 3.45Å; N654-M657 PolarHBondContact O-N 3.44Å; N654-M657 PolarHBondContact OD1-N 3.14Å
655I87.7Confident84.2Confident4 Ų456.2 Ų56.22%0.02132%0.323CS..THydrogen-bonded Turntrans-63.6-18.7174.3-166.266.4000113.7L627 A653 M657 A668 M708 L712 S715L627-I655 HydrophobicContact CD1-CB 4.12Å; L627-I655 HydrophobicContact CD1-CD1 3.85Å; A653-I655 PolarHBondContact O-N 3.02Å; I655-M657 VanDerWaalsContact C-N 3.3Å; I655-A668 HydrophobicContact CD1-CB 4.11Å; I655-M708 HydrophobicContact CD1-CE 3.7Å; I655-L712 HydrophobicContact CG1-CB 4.14Å; I655-L712 HydrophobicContact CG1-CD1 4.13Å; I655-L712 HydrophobicContact CG2-CB 4.38Å; I655-L712 HydrophobicContact CG2-CD1 4.09Å; I655-S715 WeakPolarHBondContact CG2-OG 3.28Å
656L85.4Confident83.7Confident26 Ų2656.2 Ų56.214%0.13632%0.324CS..THydrogen-bonded Turntrans-85.6-2.8175.3-57.3168.9000112.4N654 Q658 L712 A716 E719 L750N654-L656 PolarHBondContact O-N 3Å; N654-L656 WeakPolarHBondContact OD1-CA 3.3Å; N654-L656 VanDerWaalsContact OD1-CB 3.29Å; N654-L656 WeakPolarHBondContact OD1-CB 3.2Å; N654-L656 PolarHBondContact OD1-N 2.99Å; L656-Q658 PolarHBondContact O-N 3.24Å; L656-L712 HydrophobicContact CD2-CD1 3.47Å; L656-L712 VanDerWaalsContact CD2-CD1 3.47Å; L656-L712 HydrophobicContact CG-CD1 4.43Å; L656-A716 HydrophobicContact CD2-CB 4.44Å; L656-E719 HydrophobicContact CD1-CB 4.32Å; L656-L750 HydrophobicContact CB-CD1 4.3Å; L656-L750 HydrophobicContact CD2-CD1 3.93Å
657M83.6Confident83.6Confident37 Ų3752.4 Ų52.418%0.18230%0.303CS..  trans-55.8128.3176.6-174.2-178-175.700110.1N616 P618 N654 I655N616-M657 WeakPolarHBondContact O-CE 3.35Å; P618-M657 HydrophobicContact CB-CE 4.04Å; N654-M657 HydrophobicContact CB-CB 4.3Å; N654-M657 WeakPolarHBondContact O-CB 3.45Å; N654-M657 PolarHBondContact O-N 3.44Å; N654-M657 PolarHBondContact OD1-N 3.14Å; I655-M657 VanDerWaalsContact C-N 3.3Å
658Q81.6Confident83.3Confident140 Ų14051.5 Ų51.565%0.65430%0.299SS*.  trans-76.6124.8179.4-77.3-170.78.900110.1L656 V665L656-Q658 PolarHBondContact O-N 3.24Å; Q658-V665 HydrophobicContact CB-CG1 3.53Å; Q658-V665 HydrophobicContact CG-CG1 3.93Å
659V80.1Confident83.1Confident3 Ų351.5 Ų51.52%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-127147.5-178.7-67.60000110.8V661 V665 G666 T667 F671V659-V661 HydrophobicContact CG2-CG2 4.11Å; V659-V661 PolarHBondContact O-N 3.23Å; V659-V665 WeakPolarHBondContact O-CA 3.13Å; V659-G666 WeakPolarHBondContact CG2-O 3.42Å; V659-G666 PolarHBondContact N-O 3.35Å; V659-G666 PolarHBondContact O-N 2.98Å; V659-T667 VanDerWaalsContact CG2-C 3.49Å; V659-F671 HydrophobicContact CG2-CB 4.27Å
660P77Confident82.9Confident54 Ų5449.8 Ų49.835%0.35128%0.284SS..EExtended strand (participates in β ladder)trans-68128.9176.127.6-33.1000110.7W621W621-P660 HydrophobicContact CB-CG 4.41Å
661V75.5Confident82.7Confident1 Ų142.7 Ų42.71%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-137.9101.3179.2-174.50000109.2V659 E663 G664 D670 F671 H674V659-V661 HydrophobicContact CG2-CG2 4.11Å; V659-V661 PolarHBondContact O-N 3.23Å; V661-E663 PolarHBondContact O-N 3.21Å; V661-G664 CarbonylContact C-O 3.51Å; V661-G664 PolarHBondContact N-O 2.5Å; V661-G664 PolarHBondContact O-N 3.09Å; V661-G664 VanDerWaalsContact O-N 3.14Å; V661-D670 HydrophobicContact CG1-CB 4.38Å; V661-D670 HydrophobicContact CG2-CB 4.19Å; V661-F671 HydrophobicContact CG2-CB 3.96Å; V661-F671 HydrophobicContact CG2-CD2 4.41Å; V661-H674 HydrophobicContact CG1-CB 3.51Å
662G69.7Low82.4Confident52 Ų5241 Ų4154%0.53624%0.237SC..THydrogen-bonded Turntrans62.4-125.8-175.800000111.5G664G662-G664 VanDerWaalsContact C-N 3.32Å
663E63.5Low82.3Confident170 Ų17037 Ų3779%0.79421%0.212SC*.THydrogen-bonded Turntrans-85.43.8176.6-63.3178.4175.100113.7F530 V661F530-E663 HydrophobicContact CE2-CG 4.32Å; F530-E663 VanDerWaalsContact CE2-OE1 3.3Å; F530-E663 WeakPolarHBondContact CE2-OE1 3.17Å; V661-E663 PolarHBondContact O-N 3.21Å
664G71.5Confident81.9Confident30 Ų3037.5 Ų37.531%0.30921%0.211SC..EExtended strand (participates in β ladder)trans-135.2-177.3-174.100000114.5V661 G662V661-G664 CarbonylContact C-O 3.51Å; V661-G664 PolarHBondContact N-O 2.5Å; V661-G664 PolarHBondContact O-N 3.09Å; V661-G664 VanDerWaalsContact O-N 3.14Å; G662-G664 VanDerWaalsContact C-N 3.32Å
665V77.5Confident81.6Confident89 Ų8934 Ų3454%0.53919%0.193SC..EExtended strand (participates in β ladder)trans-111.9124.4177.3-176.80000108.8Q658 V659 V760Q658-V665 HydrophobicContact CB-CG1 3.53Å; Q658-V665 HydrophobicContact CG-CG1 3.93Å; V659-V665 WeakPolarHBondContact O-CA 3.13Å; V665-V760 VanDerWaalsContact O-CG2 3.28Å; V665-V760 WeakPolarHBondContact O-CG2 3.39Å
666G82.9Confident81.4Confident3 Ų335.2 Ų35.23%0.03120%0.198CC..EExtended strand (participates in β ladder)trans-134.3-165.2-177.500000113.1V659V659-G666 WeakPolarHBondContact CG2-O 3.42Å; V659-G666 PolarHBondContact N-O 3.35Å; V659-G666 PolarHBondContact O-N 2.98Å
667T88.1Confident81.1Confident2 Ų238.7 Ų38.71%0.01221%0.214CC..  trans-100.8172.2175.761.70000111.5V659 I669 D670 F671 L712 L750V659-T667 VanDerWaalsContact CG2-C 3.49Å; T667-I669 PolarHBondContact O-N 3.04Å; T667-I669 VanDerWaalsContact O-N 3.13Å; T667-D670 PolarHBondContact N-OD2 2.76Å; T667-D670 WeakPolarHBondContact O-CB 3.28Å; T667-D670 PolarHBondContact O-N 3.34Å; T667-D670 PolarHBondContact OG1-OD2 2.77Å; T667-F671 PolarHBondContact O-N 3.24Å; T667-L712 HydrophobicContact CG2-CD1 4.44Å; T667-L750 HydrophobicContact CG2-CD2 4.24Å
668A87.4Confident80.6Confident3 Ų337.9 Ų37.93%0.02521%0.21CC..Hα-helixtrans-55.9-29.717400000113.5L627 C628 I655 A672 M708L627-A668 HydrophobicContact CB-CB 3.87Å; C628-A668 VanDerWaalsContact SG-CA 3.57Å; I655-A668 HydrophobicContact CD1-CB 4.11Å; A668-A672 WeakPolarHBondContact O-CB 3.46Å; A668-A672 PolarHBondContact O-N 3.11Å; A668-M708 HydrophobicContact CB-CE 4.1Å
669I89.3Confident80.2Confident0 Ų032.6 Ų32.60%019%0.186CC..Hα-helixtrans-69.6-42.6174.9-61.1179.8000110.8T667 F671 A672 Y673 M708 A709 L712 C756T667-I669 PolarHBondContact O-N 3.04Å; T667-I669 VanDerWaalsContact O-N 3.13Å; I669-F671 VanDerWaalsContact C-N 3.32Å; I669-A672 PolarHBondContact O-N 3.29Å; I669-Y673 HydrophobicContact CG2-CD2 3.87Å; I669-Y673 HydrophobicContact CG2-CE2 3.75Å; I669-Y673 VanDerWaalsContact O-CD2 3.26Å; I669-Y673 WeakPolarHBondContact O-CD2 3.42Å; I669-Y673 PolarHBondContact O-N 3.05Å; I669-Y673 VanDerWaalsContact O-N 3.09Å; I669-M708 HydrophobicContact CD1-CB 4.16Å; I669-M708 HydrophobicContact CG1-CB 4.14Å; I669-A709 HydrophobicContact CD1-CB 4.18Å; I669-L712 HydrophobicContact CD1-CB 4.13Å; I669-L712 HydrophobicContact CD1-CD2 3.96Å; I669-C756 WeakPolarHBondContact CG2-O 3.18Å
670D87.3Confident79.7Confident5 Ų536.1 Ų36.13%0.02721%0.207CC..Hα-helixtrans-63.3-42176.2-65.7-50.2000111.1V661 T667 A672 Y673 H674 R758 S759 V760V661-D670 HydrophobicContact CG1-CB 4.38Å; V661-D670 HydrophobicContact CG2-CB 4.19Å; T667-D670 PolarHBondContact N-OD2 2.76Å; T667-D670 WeakPolarHBondContact O-CB 3.28Å; T667-D670 PolarHBondContact O-N 3.34Å; T667-D670 PolarHBondContact OG1-OD2 2.77Å; D670-A672 VanDerWaalsContact C-N 3.34Å; D670-A672 PolarHBondContact O-N 2.88Å; D670-Y673 PolarHBondContact O-N 2.87Å; D670-H674 WeakPolarHBondContact O-CB 3.39Å; D670-H674 PolarHBondContact O-N 3.37Å; D670-R758 WeakPolarHBondContact OD1-CA 3.27Å; D670-S759 PolarHBondContact OD1-N 2.98Å; D670-S759 WeakPolarHBondContact OD2-CB 3.11Å; D670-S759 PolarHBondContact OD2-N 2.99Å; D670-S759 PolarHBondContact OD2-OG 2.63Å; D670-V760 HydrophobicContact CB-CB 4.4Å; D670-V760 PolarHBondContact OD1-N 2.85Å; D670-V760 VanDerWaalsContact OD1-N 3.08Å; D670-V760 PolarHBondContact OD2-N 2.82Å
671F86.8Confident79.7Confident12 Ų1240.9 Ų40.95%0.05322%0.218CC..Hα-helixtrans-58.1-45.5174.6-176.4-87.2000111.7R622 C628 V659 V661 T667 I669 Y673 H674 S675R622-F671 WeakPolarHBondContact O-CZ 3.37Å; C628-F671 HydrophobicContact CB-CB 4.48Å; C628-F671 HydrophobicContact CB-CD1 3.59Å; C628-F671 HydrophobicContact CB-CE1 3.95Å; C628-F671 HydrophobicContact CB-CG 3.99Å; V659-F671 HydrophobicContact CG2-CB 4.27Å; V661-F671 HydrophobicContact CG2-CB 3.96Å; V661-F671 HydrophobicContact CG2-CD2 4.41Å; T667-F671 PolarHBondContact O-N 3.24Å; I669-F671 VanDerWaalsContact C-N 3.32Å; F671-Y673 PolarHBondContact O-N 3.24Å; F671-H674 WeakPolarHBondContact O-CB 3.48Å; F671-H674 PolarHBondContact O-N 3.32Å; F671-S675 WeakPolarHBondContact O-CB 3.37Å; F671-S675 PolarHBondContact O-N 3.26Å
672A87.8Confident79.8Confident0 Ų042.2 Ų42.20%022%0.224CC..Hα-helixtrans-60.8-45.6178.300000112.5A631 A668 I669 D670 H674 S675 F676 W701 L705A631-A672 HydrophobicContact CB-CB 3.55Å; A668-A672 WeakPolarHBondContact O-CB 3.46Å; A668-A672 PolarHBondContact O-N 3.11Å; I669-A672 PolarHBondContact O-N 3.29Å; D670-A672 VanDerWaalsContact C-N 3.34Å; D670-A672 PolarHBondContact O-N 2.88Å; A672-H674 VanDerWaalsContact C-N 3.32Å; A672-H674 PolarHBondContact O-N 3.27Å; A672-S675 PolarHBondContact O-N 3.5Å; A672-F676 WeakPolarHBondContact O-CB 3.42Å; A672-F676 PolarHBondContact O-N 2.88Å; A672-W701 HydrophobicContact CB-CZ2 4.12Å; A672-W701 WeakPolarHBondContact O-CZ2 3.23Å; A672-L705 HydrophobicContact CB-CD2 3.75Å
673Y86.9Confident80.1Confident51 Ų5141.7 Ų41.720%0.222%0.215CC..Hα-helixtrans-65.2-36.6176.3-83.3-69.8000112.5I669 D670 F671 Q677 W701 L705 R758I669-Y673 HydrophobicContact CG2-CD2 3.87Å; I669-Y673 HydrophobicContact CG2-CE2 3.75Å; I669-Y673 VanDerWaalsContact O-CD2 3.26Å; I669-Y673 WeakPolarHBondContact O-CD2 3.42Å; I669-Y673 PolarHBondContact O-N 3.05Å; I669-Y673 VanDerWaalsContact O-N 3.09Å; D670-Y673 PolarHBondContact O-N 2.87Å; F671-Y673 PolarHBondContact O-N 3.24Å; Y673-Q677 VanDerWaalsContact O-CG 3.31Å; Y673-Q677 WeakPolarHBondContact O-CG 3.21Å; Y673-Q677 PolarHBondContact O-N 2.84Å; Y673-Q677 VanDerWaalsContact O-N 3.09Å; Y673-W701 HydrophobicContact CD1-CH2 4.18Å; Y673-W701 HydrophobicContact CE1-CH2 4.34Å; Y673-L705 HydrophobicContact CD2-CD1 4.46Å; Y673-L705 HydrophobicContact CE1-CD1 4.08Å; Y673-L705 HydrophobicContact CE2-CD1 3.93Å; Y673-R758 VanDerWaalsContact CD2-CD 3.49Å; Y673-R758 HydrophobicContact CD2-CG 3.36Å; Y673-R758 HydrophobicContact CE2-CG 3.43Å; Y673-R758 VanDerWaalsContact CE2-CG 3.43Å; Y673-R758 HydrophobicContact CG-CG 4.15Å
674H82.8Confident80.8Confident30 Ų3043.3 Ų43.314%0.13921%0.214CC..Hα-helixtrans-64.9-50175.1-179.5-96.1000111.3V661 D670 F671 A672 F676 Q677 L678V661-H674 HydrophobicContact CG1-CB 3.51Å; D670-H674 WeakPolarHBondContact O-CB 3.39Å; D670-H674 PolarHBondContact O-N 3.37Å; F671-H674 WeakPolarHBondContact O-CB 3.48Å; F671-H674 PolarHBondContact O-N 3.32Å; A672-H674 VanDerWaalsContact C-N 3.32Å; A672-H674 PolarHBondContact O-N 3.27Å; H674-F676 VanDerWaalsContact C-N 3.3Å; H674-F676 PolarHBondContact O-N 3Å; H674-Q677 WeakPolarHBondContact O-CB 3.5Å; H674-Q677 PolarHBondContact O-N 2.89Å; H674-L678 PolarHBondContact O-N 3.44Å
675S80.8Confident81.2Confident2 Ų244.2 Ų44.21%0.01421%0.213CC..Hα-helixtrans-54.7-44.8174.5170.90000111.8N632 F671 A672 Q677 L678N632-S675 PolarHBondContact OD1-OG 3.38Å; F671-S675 WeakPolarHBondContact O-CB 3.37Å; F671-S675 PolarHBondContact O-N 3.26Å; A672-S675 PolarHBondContact O-N 3.5Å; S675-Q677 VanDerWaalsContact C-N 3.31Å; S675-Q677 PolarHBondContact O-N 2.66Å; S675-L678 PolarHBondContact O-N 2.82Å
676F83.4Confident81.4Confident29 Ų2943.2 Ų43.213%0.12721%0.208CC..Hα-helixtrans-61.4-36175.7-179.4-93.9000113.3F633 A672 H674 L678 D679 F682 A683 W701F633-F676 HydrophobicContact CD1-CD2 4.29Å; F633-F676 AromaticContact CD2-CD2 3.77Å; F633-F676 HydrophobicContact CD2-CD2 3.77Å; F633-F676 HydrophobicContact CD2-CE2 4.28Å; F633-F676 HydrophobicContact CE2-CD2 4.02Å; F633-F676 HydrophobicContact CE2-CE2 4.04Å; F633-F676 AromaticContact CG-CD2 3.92Å; F633-F676 HydrophobicContact CG-CD2 3.92Å; F633-F676 HydrophobicContact CZ-CD2 4.4Å; F633-F676 HydrophobicContact CZ-CE2 4.22Å; A672-F676 WeakPolarHBondContact O-CB 3.42Å; A672-F676 PolarHBondContact O-N 2.88Å; H674-F676 VanDerWaalsContact C-N 3.3Å; H674-F676 PolarHBondContact O-N 3Å; F676-L678 VanDerWaalsContact C-N 3.32Å; F676-D679 PolarHBondContact O-N 2.82Å; F676-F682 HydrophobicContact CE2-CB 3.88Å; F676-F682 HydrophobicContact CZ-CB 4.18Å; F676-A683 HydrophobicContact CE1-CB 4.35Å; F676-W701 HydrophobicContact CB-CH2 3.49Å; F676-W701 VanDerWaalsContact CB-CH2 3.49Å; F676-W701 HydrophobicContact CB-CZ2 3.79Å; F676-W701 HydrophobicContact CB-CZ3 4.26Å; F676-W701 HydrophobicContact CD1-CH2 4.35Å; F676-W701 HydrophobicContact CD1-CZ3 4.46Å; F676-W701 HydrophobicContact CD2-CE3 4.25Å; F676-W701 AromaticContact CD2-CH2 3.89Å; F676-W701 HydrophobicContact CD2-CH2 3.89Å; F676-W701 HydrophobicContact CD2-CZ2 4.41Å; F676-W701 AromaticContact CD2-CZ3 3.81Å; F676-W701 HydrophobicContact CD2-CZ3 3.81Å; F676-W701 HydrophobicContact CE2-CZ3 4.3Å; F676-W701 AromaticContact CG-CH2 3.64Å; F676-W701 HydrophobicContact CG-CH2 3.64Å; F676-W701 HydrophobicContact CG-CZ2 4.3Å; F676-W701 AromaticContact CG-CZ3 3.91Å; F676-W701 HydrophobicContact CG-CZ3 3.91Å
677Q79.1Confident81.3Confident100 Ų10046.6 Ų46.647%0.46722%0.223SC..Hα-helixtrans-70.9-27.3178.9-76.2179.3-3.500113.2Y673 H674 S675 D679Y673-Q677 VanDerWaalsContact O-CG 3.31Å; Y673-Q677 WeakPolarHBondContact O-CG 3.21Å; Y673-Q677 PolarHBondContact O-N 2.84Å; Y673-Q677 VanDerWaalsContact O-N 3.09Å; H674-Q677 WeakPolarHBondContact O-CB 3.5Å; H674-Q677 PolarHBondContact O-N 2.89Å; S675-Q677 VanDerWaalsContact C-N 3.31Å; S675-Q677 PolarHBondContact O-N 2.66Å; Q677-D679 VanDerWaalsContact C-N 3.3Å
678L73.9Confident81Confident20 Ų2053.5 Ų53.511%0.10525%0.254CS..Hα-helixtrans-71.8-25176.8-65.4174.9000112.4I517 C520 H674 S675 F676 V680I517-L678 HydrophobicContact CG2-CD1 4.12Å; C520-L678 HydrophobicContact CB-CD2 4.11Å; C520-L678 PolarHBondContact SG-O 3.46Å; C520-L678 VanDerWaalsContact SG-O 3.38Å; H674-L678 PolarHBondContact O-N 3.44Å; S675-L678 PolarHBondContact O-N 2.82Å; F676-L678 VanDerWaalsContact C-N 3.32Å; L678-V680 PolarHBondContact O-N 2.83Å
679D72.6Confident80.8Confident29 Ų2956.4 Ų56.416%0.15528%0.278CS..  trans-78.4100.1174.2-168.9-40.5000110.8F676 Q677 R681 F682 A683F676-D679 PolarHBondContact O-N 2.82Å; Q677-D679 VanDerWaalsContact C-N 3.3Å; D679-R681 PolarHBondContact O-N 2.94Å; D679-R681 WeakPolarHBondContact OD1-CA 3.41Å; D679-R681 WeakPolarHBondContact OD1-CB 3.25Å; D679-R681 PolarHBondContact OD1-N 3.36Å; D679-F682 PolarHBondContact O-N 3Å; D679-F682 PolarHBondContact OD1-N 3.11Å; D679-F682 WeakPolarHBondContact OD2-CD2 3.47Å; D679-A683 WeakPolarHBondContact O-CB 3.35Å; D679-A683 PolarHBondContact O-N 2.61Å
680V70.9Confident80.6Confident76 Ų7656.7 Ų56.746%0.46128%0.28SS..Hα-helixtrans-60.3-33.5-178.5-175.10000112.2L678 R684L678-V680 PolarHBondContact O-N 2.83Å; V680-R684 HydrophobicContact CG1-CG 4.25Å; V680-R684 WeakPolarHBondContact O-CB 3.4Å; V680-R684 PolarHBondContact O-N 3.39Å
681R75.5Confident80.6Confident155 Ų15560 Ų6059%0.58530%0.297SS*.Hα-helixtrans-69.6-45.1-176.3-179176.3177.9151.80.7110.5D679 T685 E694D679-R681 PolarHBondContact O-N 2.94Å; D679-R681 WeakPolarHBondContact OD1-CA 3.41Å; D679-R681 WeakPolarHBondContact OD1-CB 3.25Å; D679-R681 PolarHBondContact OD1-N 3.36Å; R681-T685 WeakPolarHBondContact O-CB 3.39Å; R681-T685 PolarHBondContact O-OG1 3.45Å; R681-E694 IonicContact CZ-OE1 3.22Å; R681-E694 IonicContact NE-OE1 2.65Å; R681-E694 PolarHBondContact NE-OE1 3.12Å; R681-E694 IonicContact NH2-OE1 2.92Å; R681-E694 PolarHBondContact NH2-OE1 3.09Å
682F77.6Confident80.4Confident28 Ų2867.6 Ų67.612%0.12334%0.335CS..Hα-helixtrans-86.6-35-178.2-70.4-88000113.2F633 F676 D679 L690 E694 I698F633-F682 HydrophobicContact CE1-CB 4.04Å; F633-F682 HydrophobicContact CE1-CD1 4.04Å; F633-F682 AromaticContact CE1-CD2 3.45Å; F633-F682 HydrophobicContact CE1-CD2 3.45Å; F633-F682 VanDerWaalsContact CE1-CD2 3.45Å; F633-F682 HydrophobicContact CE1-CE1 4.3Å; F633-F682 AromaticContact CE1-CE2 3.75Å; F633-F682 HydrophobicContact CE1-CE2 3.75Å; F633-F682 AromaticContact CE1-CG 3.57Å; F633-F682 HydrophobicContact CE1-CG 3.57Å; F633-F682 HydrophobicContact CE1-CZ 4.16Å; F633-F682 HydrophobicContact CZ-CB 4.21Å; F633-F682 AromaticContact CZ-CD1 3.7Å; F633-F682 HydrophobicContact CZ-CD1 3.7Å; F633-F682 AromaticContact CZ-CD2 4Å; F633-F682 HydrophobicContact CZ-CD2 4Å; F633-F682 AromaticContact CZ-CE1 3.93Å; F633-F682 HydrophobicContact CZ-CE1 3.93Å; F633-F682 HydrophobicContact CZ-CE2 4.21Å; F633-F682 AromaticContact CZ-CG 3.71Å; F633-F682 HydrophobicContact CZ-CG 3.71Å; F633-F682 HydrophobicContact CZ-CZ 4.17Å; F676-F682 HydrophobicContact CE2-CB 3.88Å; F676-F682 HydrophobicContact CZ-CB 4.18Å; D679-F682 PolarHBondContact O-N 3Å; D679-F682 PolarHBondContact OD1-N 3.11Å; D679-F682 WeakPolarHBondContact OD2-CD2 3.47Å; F682-L690 HydrophobicContact CD1-CD1 4.37Å; F682-L690 HydrophobicContact CD1-CD2 4.37Å; F682-E694 HydrophobicContact CE1-CB 3.72Å; F682-E694 HydrophobicContact CE1-CG 3.73Å; F682-E694 HydrophobicContact CZ-CB 4.31Å; F682-E694 HydrophobicContact CZ-CG 3.82Å; F682-I698 HydrophobicContact CD1-CD1 3.95Å; F682-I698 HydrophobicContact CD1-CG1 4.05Å; F682-I698 HydrophobicContact CE1-CG1 4.49Å
683A75.7Confident80.2Confident42 Ų4274.7 Ų74.735%0.34737%0.369SS..Hα-helixtrans-73.4-35.8-178.400000113.4F676 D679F676-A683 HydrophobicContact CE1-CB 4.35Å; D679-A683 WeakPolarHBondContact O-CB 3.35Å; D679-A683 PolarHBondContact O-N 2.61Å
684R78.7Confident80Confident203 Ų20373.1 Ų73.177%0.76636%0.363SS*.Hα-helixtrans-100.7-8.1-174.1-55.6-165-176.2178.5-3.4114.7V680V680-R684 HydrophobicContact CG1-CG 4.25Å; V680-R684 WeakPolarHBondContact O-CB 3.4Å; V680-R684 PolarHBondContact O-N 3.39Å
685T80.1Confident80.1Confident50 Ų5075.6 Ų75.631%0.30737%0.371SS..SBendtrans-93.6127.4179.8-55.90000110.6R681 A689 L690R681-T685 WeakPolarHBondContact O-CB 3.39Å; R681-T685 PolarHBondContact O-OG1 3.45Å; T685-A689 HydrophobicContact CG2-CB 3.73Å; T685-L690 HydrophobicContact CG2-CD2 3.85Å; T685-L690 HydrophobicContact CG2-CG 4.25Å
686P82Confident80.3Confident67 Ų6777.7 Ų77.744%0.43539%0.388SS..  trans-58.2141175.4-22.432.4000111.7H688 A689P686-H688 WeakPolarHBondContact CB-CE1 3.41Å; P686-H688 PolarHBondContact O-N 2.63Å; P686-A689 WeakPolarHBondContact O-CB 3.29Å; P686-A689 PolarHBondContact O-N 2.97Å
687F81.3Confident80.3Confident75 Ų7579.9 Ų79.933%0.32940%0.401SS..G310 helixtrans-54.4-31.2-174.1-173.7-99.1000114.5A689 L690 R695 I698 K699F687-A689 VanDerWaalsContact C-N 3.32Å; F687-L690 HydrophobicContact CD2-CD1 4.42Å; F687-R695 HydrophobicContact CD2-CG 4.48Å; F687-R695 HydrophobicContact CE1-CB 4.41Å; F687-R695 HydrophobicContact CE1-CG 4.05Å; F687-R695 HydrophobicContact CE2-CB 4.1Å; F687-R695 HydrophobicContact CE2-CG 4.01Å; F687-R695 HydrophobicContact CZ-CB 3.76Å; F687-R695 HydrophobicContact CZ-CG 3.77Å; F687-R695 PolarHBondContact O-NE 3.29Å; F687-R695 VanDerWaalsContact O-NE 3.13Å; F687-I698 HydrophobicContact CD2-CD1 4.16Å; F687-I698 HydrophobicContact CD2-CG2 4.47Å; F687-I698 HydrophobicContact CE2-CB 4.25Å; F687-I698 HydrophobicContact CE2-CD1 4.33Å; F687-I698 HydrophobicContact CE2-CG2 4.11Å; F687-K699 HydrophobicContact CZ-CG 4.33Å
688H80.7Confident80.4Confident147 Ų14775.3 Ų75.368%0.68138%0.379SS*.G310 helixtrans-79.9-8.9178.659.7-92.4000114.2P686 R695P686-H688 WeakPolarHBondContact CB-CE1 3.41Å; P686-H688 PolarHBondContact O-N 2.63Å; H688-R695 PolarHBondContact O-NH2 3.12Å
689A83.6Confident81.1Confident64 Ų6480.7 Ų80.753%0.52940%0.402SS..G310 helixtrans-94.5-8.9174.400000112.8T685 P686 F687T685-A689 HydrophobicContact CG2-CB 3.73Å; P686-A689 WeakPolarHBondContact O-CB 3.29Å; P686-A689 PolarHBondContact O-N 2.97Å; F687-A689 VanDerWaalsContact C-N 3.32Å
690L85.3Confident81.7Confident6 Ų686.8 Ų86.83%0.03143%0.427CS..SBendtrans-79.2152.8175.5-63.4173.3000111.8F682 T685 F687 E694 R695 I698F682-L690 HydrophobicContact CD1-CD1 4.37Å; F682-L690 HydrophobicContact CD1-CD2 4.37Å; T685-L690 HydrophobicContact CG2-CD2 3.85Å; T685-L690 HydrophobicContact CG2-CG 4.25Å; F687-L690 HydrophobicContact CD2-CD1 4.42Å; L690-E694 WeakPolarHBondContact CA-OE2 3.41Å; L690-E694 HydrophobicContact CB-CB 3.98Å; L690-E694 HydrophobicContact CD2-CB 4.41Å; L690-E694 WeakPolarHBondContact CD2-OE2 3.47Å; L690-R695 HydrophobicContact CB-CG 3.94Å; L690-R695 VanDerWaalsContact O-CZ 3.23Å; L690-R695 PolarHBondContact O-NE 2.81Å; L690-R695 PolarHBondContact O-NH2 3.08Å; L690-I698 HydrophobicContact CD1-CD1 3.29Å
691N86.3Confident82.5Confident73 Ų7383.4 Ų83.439%0.3941%0.406SS..  trans-72.4170.1174.675.632000111.8Q693 E694 R695N691-Q693 VanDerWaalsContact C-N 3.34Å; N691-Q693 PolarHBondContact O-N 2.66Å; N691-Q693 PolarHBondContact OD1-N 3.41Å; N691-Q693 VanDerWaalsContact OD1-N 3.1Å; N691-E694 PolarHBondContact N-OE2 3.45Å; N691-E694 PolarHBondContact O-N 3.23Å; N691-E694 VanDerWaalsContact OD1-CB 3.26Å; N691-E694 WeakPolarHBondContact OD1-CB 3.05Å; N691-E694 WeakPolarHBondContact OD1-CG 3.27Å; N691-E694 PolarHBondContact OD1-N 3.26Å; N691-R695 VanDerWaalsContact O-CG 3.31Å; N691-R695 WeakPolarHBondContact O-CG 3.21Å; N691-R695 PolarHBondContact O-N 3.26Å
692M84.4Confident83.1Confident172 Ų17282.4 Ų82.485%0.84740%0.402SS*.Hα-helixtrans-62.7-38.3-176.1-70.4-153.5-168.400113.3A696M692-A696 PolarHBondContact O-N 2.82Å; M692-A696 VanDerWaalsContact O-N 3.09Å
693Q82.6Confident83.6Confident150 Ų15085.8 Ų85.870%0.70142%0.418SS*.Hα-helixtrans-68.1-45.8179.7-68.6-179.2-19.600111.5N691 R695 A696 I697N691-Q693 VanDerWaalsContact C-N 3.34Å; N691-Q693 PolarHBondContact O-N 2.66Å; N691-Q693 PolarHBondContact OD1-N 3.41Å; N691-Q693 VanDerWaalsContact OD1-N 3.1Å; Q693-R695 VanDerWaalsContact C-N 3.33Å; Q693-R695 PolarHBondContact O-N 3.17Å; Q693-A696 WeakPolarHBondContact O-CB 3.31Å; Q693-A696 PolarHBondContact O-N 3.22Å; Q693-A696 VanDerWaalsContact O-N 3.08Å; Q693-I697 WeakPolarHBondContact O-CG1 3.39Å; Q693-I697 PolarHBondContact O-N 2.9Å
694E82.8Confident84.3Confident17 Ų1783.9 Ų83.98%0.07940%0.402CS..Hα-helixtrans-57.9-43.8175.4-74.517216000111.7R681 F682 L690 N691 A696 I697 I698R681-E694 IonicContact CZ-OE1 3.22Å; R681-E694 IonicContact NE-OE1 2.65Å; R681-E694 PolarHBondContact NE-OE1 3.12Å; R681-E694 IonicContact NH2-OE1 2.92Å; R681-E694 PolarHBondContact NH2-OE1 3.09Å; F682-E694 HydrophobicContact CE1-CB 3.72Å; F682-E694 HydrophobicContact CE1-CG 3.73Å; F682-E694 HydrophobicContact CZ-CB 4.31Å; F682-E694 HydrophobicContact CZ-CG 3.82Å; L690-E694 WeakPolarHBondContact CA-OE2 3.41Å; L690-E694 HydrophobicContact CB-CB 3.98Å; L690-E694 HydrophobicContact CD2-CB 4.41Å; L690-E694 WeakPolarHBondContact CD2-OE2 3.47Å; N691-E694 PolarHBondContact N-OE2 3.45Å; N691-E694 PolarHBondContact O-N 3.23Å; N691-E694 VanDerWaalsContact OD1-CB 3.26Å; N691-E694 WeakPolarHBondContact OD1-CB 3.05Å; N691-E694 WeakPolarHBondContact OD1-CG 3.27Å; N691-E694 PolarHBondContact OD1-N 3.26Å; E694-A696 VanDerWaalsContact C-N 3.32Å; E694-A696 PolarHBondContact O-N 2.87Å; E694-I697 PolarHBondContact O-N 3.42Å; E694-I698 PolarHBondContact O-N 3.12Å
695R85.2Confident84.9Confident82 Ų8274.4 Ų74.431%0.30937%0.367SS..Hα-helixtrans-63-39.3174.8-70.2178.1-160.3-174.76.1112F687 H688 L690 N691 Q693 K699F687-R695 HydrophobicContact CD2-CG 4.48Å; F687-R695 HydrophobicContact CE1-CB 4.41Å; F687-R695 HydrophobicContact CE1-CG 4.05Å; F687-R695 HydrophobicContact CE2-CB 4.1Å; F687-R695 HydrophobicContact CE2-CG 4.01Å; F687-R695 HydrophobicContact CZ-CB 3.76Å; F687-R695 HydrophobicContact CZ-CG 3.77Å; F687-R695 PolarHBondContact O-NE 3.29Å; F687-R695 VanDerWaalsContact O-NE 3.13Å; H688-R695 PolarHBondContact O-NH2 3.12Å; L690-R695 HydrophobicContact CB-CG 3.94Å; L690-R695 VanDerWaalsContact O-CZ 3.23Å; L690-R695 PolarHBondContact O-NE 2.81Å; L690-R695 PolarHBondContact O-NH2 3.08Å; N691-R695 VanDerWaalsContact O-CG 3.31Å; N691-R695 WeakPolarHBondContact O-CG 3.21Å; N691-R695 PolarHBondContact O-N 3.26Å; Q693-R695 VanDerWaalsContact C-N 3.33Å; Q693-R695 PolarHBondContact O-N 3.17Å; R695-K699 WeakPolarHBondContact O-CB 3.49Å; R695-K699 VanDerWaalsContact O-CG 3.29Å; R695-K699 WeakPolarHBondContact O-CG 3.37Å; R695-K699 PolarHBondContact O-N 3.49Å
696A84.6Confident85.4Confident46 Ų4675.2 Ų75.238%0.3837%0.372SS..Hα-helixtrans-65.2-41.2177.400000111.5M692 Q693 E694 K699 K700M692-A696 PolarHBondContact O-N 2.82Å; M692-A696 VanDerWaalsContact O-N 3.09Å; Q693-A696 WeakPolarHBondContact O-CB 3.31Å; Q693-A696 PolarHBondContact O-N 3.22Å; Q693-A696 VanDerWaalsContact O-N 3.08Å; E694-A696 VanDerWaalsContact C-N 3.32Å; E694-A696 PolarHBondContact O-N 2.87Å; A696-K699 PolarHBondContact O-N 3.28Å; A696-K700 WeakPolarHBondContact O-CG 3.18Å; A696-K700 PolarHBondContact O-N 3.49Å
697I82.6Confident85.8Confident75 Ų7574.3 Ų74.339%0.38536%0.363SS..Hα-helixtrans-59.8-51.3175.4-66.7164.9000110.7F633 Q693 E694 K699 K700 W701F633-I697 HydrophobicContact CE2-CG2 3.94Å; F633-I697 HydrophobicContact CZ-CG2 3.98Å; Q693-I697 WeakPolarHBondContact O-CG1 3.39Å; Q693-I697 PolarHBondContact O-N 2.9Å; E694-I697 PolarHBondContact O-N 3.42Å; I697-K699 VanDerWaalsContact C-N 3.3Å; I697-K699 PolarHBondContact O-N 3.35Å; I697-K700 PolarHBondContact O-N 3.17Å; I697-W701 WeakPolarHBondContact O-CB 3.02Å; I697-W701 PolarHBondContact O-N 3.1Å
698I83Confident86.3Confident4 Ų470.7 Ų70.72%0.02135%0.347CS..Hα-helixtrans-58.8-43.2177.6-67.2178.8000111.2F633 F682 F687 L690 E694 W701 R702F633-I698 HydrophobicContact CE2-CG1 4.36Å; F633-I698 HydrophobicContact CZ-CG1 4.35Å; F682-I698 HydrophobicContact CD1-CD1 3.95Å; F682-I698 HydrophobicContact CD1-CG1 4.05Å; F682-I698 HydrophobicContact CE1-CG1 4.49Å; F687-I698 HydrophobicContact CD2-CD1 4.16Å; F687-I698 HydrophobicContact CD2-CG2 4.47Å; F687-I698 HydrophobicContact CE2-CB 4.25Å; F687-I698 HydrophobicContact CE2-CD1 4.33Å; F687-I698 HydrophobicContact CE2-CG2 4.11Å; L690-I698 HydrophobicContact CD1-CD1 3.29Å; E694-I698 PolarHBondContact O-N 3.12Å; I698-W701 PolarHBondContact O-N 3.14Å; I698-R702 HydrophobicContact CG2-CG 4.23Å; I698-R702 WeakPolarHBondContact O-CB 3.03Å; I698-R702 WeakPolarHBondContact O-CG 3.43Å; I698-R702 PolarHBondContact O-N 2.8Å
699K87Confident86.7Confident134 Ų13463.7 Ų63.758%0.58332%0.315SS*.Hα-helixtrans-60.9-47.5179.5-77.8176.9179.6-175.30111.2F687 R695 A696 I697 R702 H703F687-K699 HydrophobicContact CZ-CG 4.33Å; R695-K699 WeakPolarHBondContact O-CB 3.49Å; R695-K699 VanDerWaalsContact O-CG 3.29Å; R695-K699 WeakPolarHBondContact O-CG 3.37Å; R695-K699 PolarHBondContact O-N 3.49Å; A696-K699 PolarHBondContact O-N 3.28Å; I697-K699 VanDerWaalsContact C-N 3.3Å; I697-K699 PolarHBondContact O-N 3.35Å; K699-R702 PolarHBondContact O-N 3.45Å; K699-H703 WeakPolarHBondContact O-CB 3.21Å; K699-H703 PolarHBondContact O-N 2.86Å
700K86Confident86.9Confident157 Ų15763.1 Ų63.168%0.68330%0.303SS*.Hα-helixtrans-61.6-45176.7-74.6-178175.2-173.20111.7A696 I697 H703 L704A696-K700 WeakPolarHBondContact O-CG 3.18Å; A696-K700 PolarHBondContact O-N 3.49Å; I697-K700 PolarHBondContact O-N 3.17Å; K700-H703 WeakPolarHBondContact O-CB 3.33Å; K700-H703 PolarHBondContact O-N 3.03Å; K700-L704 PolarHBondContact O-N 3.34Å
701W87.5Confident87.1Confident5 Ų565 Ų652%0.01931%0.313CS..Hα-helixtrans-63.7-42.7178.2-179.178.7000112.8A631 F633 A672 Y673 F676 I697 I698 H703 L704 L705A631-W701 PolarHBondContact O-NE1 3.47Å; F633-W701 HydrophobicContact CD2-CB 4.26Å; F633-W701 AromaticContact CD2-CD1 3.95Å; F633-W701 AromaticContact CD2-CD2 3.84Å; F633-W701 HydrophobicContact CD2-CD2 3.84Å; F633-W701 HydrophobicContact CD2-CE3 4.38Å; F633-W701 AromaticContact CD2-CG 3.76Å; F633-W701 HydrophobicContact CD2-CG 3.76Å; F633-W701 HydrophobicContact CE2-CB 4.35Å; F633-W701 HydrophobicContact CE2-CD2 4.45Å; F633-W701 HydrophobicContact CE2-CG 4.3Å; A672-W701 HydrophobicContact CB-CZ2 4.12Å; A672-W701 WeakPolarHBondContact O-CZ2 3.23Å; Y673-W701 HydrophobicContact CD1-CH2 4.18Å; Y673-W701 HydrophobicContact CE1-CH2 4.34Å; F676-W701 HydrophobicContact CB-CH2 3.49Å; F676-W701 VanDerWaalsContact CB-CH2 3.49Å; F676-W701 HydrophobicContact CB-CZ2 3.79Å; F676-W701 HydrophobicContact CB-CZ3 4.26Å; F676-W701 HydrophobicContact CD1-CH2 4.35Å; F676-W701 HydrophobicContact CD1-CZ3 4.46Å; F676-W701 HydrophobicContact CD2-CE3 4.25Å; F676-W701 AromaticContact CD2-CH2 3.89Å; F676-W701 HydrophobicContact CD2-CH2 3.89Å; F676-W701 HydrophobicContact CD2-CZ2 4.41Å; F676-W701 AromaticContact CD2-CZ3 3.81Å; F676-W701 HydrophobicContact CD2-CZ3 3.81Å; F676-W701 HydrophobicContact CE2-CZ3 4.3Å; F676-W701 AromaticContact CG-CH2 3.64Å; F676-W701 HydrophobicContact CG-CH2 3.64Å; F676-W701 HydrophobicContact CG-CZ2 4.3Å; F676-W701 AromaticContact CG-CZ3 3.91Å; F676-W701 HydrophobicContact CG-CZ3 3.91Å; I697-W701 WeakPolarHBondContact O-CB 3.02Å; I697-W701 PolarHBondContact O-N 3.1Å; I698-W701 PolarHBondContact O-N 3.14Å; W701-H703 VanDerWaalsContact C-N 3.31Å; W701-H703 PolarHBondContact O-N 3.35Å; W701-L704 WeakPolarHBondContact O-CB 3.31Å; W701-L704 PolarHBondContact O-N 3.13Å; W701-L705 HydrophobicContact CD2-CD1 4.08Å; W701-L705 HydrophobicContact CD2-CG 4.44Å; W701-L705 HydrophobicContact CE3-CD1 3.95Å; W701-L705 HydrophobicContact CH2-CD1 3.4Å; W701-L705 HydrophobicContact CZ2-CD1 3.52Å; W701-L705 HydrophobicContact CZ2-CG 4.28Å; W701-L705 HydrophobicContact CZ3-CD1 3.62Å; W701-L705 PolarHBondContact O-N 2.97Å
702R87.4Confident87.2Confident133 Ų13361.6 Ų61.650%0.50229%0.294SS..Hα-helixtrans-62.7-38.8174-75.3179.3-179.1174.12.2112.3I698 K699 L705 T706I698-R702 HydrophobicContact CG2-CG 4.23Å; I698-R702 WeakPolarHBondContact O-CB 3.03Å; I698-R702 WeakPolarHBondContact O-CG 3.43Å; I698-R702 PolarHBondContact O-N 2.8Å; K699-R702 PolarHBondContact O-N 3.45Å; R702-L705 PolarHBondContact O-N 2.97Å; R702-T706 PolarHBondContact O-N 2.89Å; R702-T706 PolarHBondContact O-OG1 3.3Å
703H89.4Confident87.4Confident99 Ų9954.7 Ų54.746%0.45826%0.259SS..Hα-helixtrans-63.2-43.4176-177.549.5000111.6K699 K700 W701 L705 T706 L707K699-H703 WeakPolarHBondContact O-CB 3.21Å; K699-H703 PolarHBondContact O-N 2.86Å; K700-H703 WeakPolarHBondContact O-CB 3.33Å; K700-H703 PolarHBondContact O-N 3.03Å; W701-H703 VanDerWaalsContact C-N 3.31Å; W701-H703 PolarHBondContact O-N 3.35Å; H703-L705 PolarHBondContact O-N 2.79Å; H703-T706 WeakPolarHBondContact O-CB 3.43Å; H703-T706 PolarHBondContact O-N 2.73Å; H703-L707 PolarHBondContact O-N 3.09Å
704L90.4Very high87.6Confident2 Ų254.6 Ų54.61%0.0126%0.256CS..Hα-helixtrans-56.5-47.6172.4177.270000111.7L630 R641 L645 K700 W701 T706 L707 M708L630-L704 HydrophobicContact CD2-CD1 4.44Å; L630-L704 HydrophobicContact CG-CD2 4.33Å; R641-L704 HydrophobicContact CB-CD1 4.28Å; R641-L704 HydrophobicContact CB-CD2 4.32Å; L645-L704 HydrophobicContact CB-CD1 4.3Å; L645-L704 HydrophobicContact CD2-CD1 3.93Å; K700-L704 PolarHBondContact O-N 3.34Å; W701-L704 WeakPolarHBondContact O-CB 3.31Å; W701-L704 PolarHBondContact O-N 3.13Å; L704-T706 VanDerWaalsContact C-N 3.27Å; L704-T706 PolarHBondContact O-N 2.78Å; L704-L707 WeakPolarHBondContact O-CB 3.34Å; L704-L707 PolarHBondContact O-N 3.4Å; L704-L707 VanDerWaalsContact O-N 3.11Å; L704-M708 HydrophobicContact CG-CG 4.46Å; L704-M708 HydrophobicContact CG-SD 4.17Å; L704-M708 WeakPolarHBondContact O-CG 3.42Å; L704-M708 PolarHBondContact O-N 3.3Å
705L90.3Very high87.7Confident4 Ų455.6 Ų55.62%0.02127%0.265CS..Hα-helixtrans-62.6-32.1178.3-71.1-177.6000113.5A672 Y673 W701 R702 H703 M708 A709A672-L705 HydrophobicContact CB-CD2 3.75Å; Y673-L705 HydrophobicContact CD2-CD1 4.46Å; Y673-L705 HydrophobicContact CE1-CD1 4.08Å; Y673-L705 HydrophobicContact CE2-CD1 3.93Å; W701-L705 HydrophobicContact CD2-CD1 4.08Å; W701-L705 HydrophobicContact CD2-CG 4.44Å; W701-L705 HydrophobicContact CE3-CD1 3.95Å; W701-L705 HydrophobicContact CH2-CD1 3.4Å; W701-L705 HydrophobicContact CZ2-CD1 3.52Å; W701-L705 HydrophobicContact CZ2-CG 4.28Å; W701-L705 HydrophobicContact CZ3-CD1 3.62Å; W701-L705 PolarHBondContact O-N 2.97Å; R702-L705 PolarHBondContact O-N 2.97Å; H703-L705 PolarHBondContact O-N 2.79Å; L705-M708 HydrophobicContact CD2-SD 4.27Å; L705-A709 WeakPolarHBondContact O-CB 3.2Å; L705-A709 PolarHBondContact O-N 2.87Å
706T90.2Very high87.6Confident67 Ų6752.4 Ų52.441%0.41126%0.256SS..Hα-helixtrans-62.5-48172-58.90000110.5R702 H703 L704 M708 A709 D710R702-T706 PolarHBondContact O-N 2.89Å; R702-T706 PolarHBondContact O-OG1 3.3Å; H703-T706 WeakPolarHBondContact O-CB 3.43Å; H703-T706 PolarHBondContact O-N 2.73Å; L704-T706 VanDerWaalsContact C-N 3.27Å; L704-T706 PolarHBondContact O-N 2.78Å; T706-M708 PolarHBondContact O-N 3.04Å; T706-A709 WeakPolarHBondContact O-CB 3.28Å; T706-A709 PolarHBondContact O-N 3.24Å; T706-A709 VanDerWaalsContact O-N 3.17Å; T706-D710 VanDerWaalsContact O-CG 3.28Å; T706-D710 PolarHBondContact O-N 3.03Å
707L90.8Very high87.5Confident48 Ų4852 Ų5225%0.25125%0.253SS..Hα-helixtrans-61.9-42177.2-63.4173.4000112.1I642 L645 H703 L704 A709 D710 L711I642-L707 HydrophobicContact CD1-CD1 4.26Å; I642-L707 HydrophobicContact CG1-CD1 4.05Å; I642-L707 HydrophobicContact CG2-CD1 4.02Å; L645-L707 HydrophobicContact CD2-CB 3.75Å; H703-L707 PolarHBondContact O-N 3.09Å; L704-L707 WeakPolarHBondContact O-CB 3.34Å; L704-L707 PolarHBondContact O-N 3.4Å; L704-L707 VanDerWaalsContact O-N 3.11Å; L707-A709 VanDerWaalsContact C-N 3.33Å; L707-A709 PolarHBondContact O-N 3.33Å; L707-D710 WeakPolarHBondContact O-CB 3.06Å; L707-D710 PolarHBondContact O-N 3.37Å; L707-L711 PolarHBondContact O-N 3.01Å
708M92.1Very high87.5Confident0 Ų052.5 Ų52.50%026%0.256CS..Hα-helixtrans-63.5-37.8174.9-66.9-179.577.500112.3L627 A631 L645 I655 A668 I669 L704 L705 T706 D710 L711 L712L627-M708 HydrophobicContact CB-CE 4.25Å; L627-M708 HydrophobicContact CD2-CE 4.49Å; A631-M708 HydrophobicContact CB-CE 3.92Å; A631-M708 HydrophobicContact CB-SD 3.73Å; L645-M708 HydrophobicContact CD1-CG 3.96Å; L645-M708 HydrophobicContact CD2-CG 4.03Å; I655-M708 HydrophobicContact CD1-CE 3.7Å; A668-M708 HydrophobicContact CB-CE 4.1Å; I669-M708 HydrophobicContact CD1-CB 4.16Å; I669-M708 HydrophobicContact CG1-CB 4.14Å; L704-M708 HydrophobicContact CG-CG 4.46Å; L704-M708 HydrophobicContact CG-SD 4.17Å; L704-M708 WeakPolarHBondContact O-CG 3.42Å; L704-M708 PolarHBondContact O-N 3.3Å; L705-M708 HydrophobicContact CD2-SD 4.27Å; T706-M708 PolarHBondContact O-N 3.04Å; M708-D710 VanDerWaalsContact C-N 3.3Å; M708-D710 PolarHBondContact O-N 3.24Å; M708-L711 PolarHBondContact O-N 2.81Å; M708-L712 WeakPolarHBondContact O-CB 3.22Å; M708-L712 PolarHBondContact O-N 3Å
709A89.1Confident87.4Confident0 Ų055.5 Ų55.50%027%0.27CS..Hα-helixtrans-65.8-34.417500000111.9I669 L705 T706 L707 L712 R713I669-A709 HydrophobicContact CD1-CB 4.18Å; L705-A709 WeakPolarHBondContact O-CB 3.2Å; L705-A709 PolarHBondContact O-N 2.87Å; T706-A709 WeakPolarHBondContact O-CB 3.28Å; T706-A709 PolarHBondContact O-N 3.24Å; T706-A709 VanDerWaalsContact O-N 3.17Å; L707-A709 VanDerWaalsContact C-N 3.33Å; L707-A709 PolarHBondContact O-N 3.33Å; A709-L712 PolarHBondContact O-N 3.28Å; A709-R713 WeakPolarHBondContact O-CG 3.29Å; A709-R713 PolarHBondContact O-N 2.92Å; A709-R713 PolarHBondContact O-NH1 3.22Å; A709-R713 VanDerWaalsContact O-NH1 3.15Å
710D88.8Confident86.9Confident51 Ų5152.7 Ų52.727%0.27326%0.259SS..Hα-helixtrans-66.6-43.2174.2-62.11.6000111.1T706 L707 M708 R713 K714T706-D710 VanDerWaalsContact O-CG 3.28Å; T706-D710 PolarHBondContact O-N 3.03Å; L707-D710 WeakPolarHBondContact O-CB 3.06Å; L707-D710 PolarHBondContact O-N 3.37Å; M708-D710 VanDerWaalsContact C-N 3.3Å; M708-D710 PolarHBondContact O-N 3.24Å; D710-R713 VanDerWaalsContact CG-NH2 3.34Å; D710-R713 PolarHBondContact O-N 2.93Å; D710-R713 IonicContact OD1-CZ 3.28Å; D710-R713 VanDerWaalsContact OD1-CZ 3.28Å; D710-R713 IonicContact OD1-NH1 3.25Å; D710-R713 PolarHBondContact OD1-NH1 3.43Å; D710-R713 IonicContact OD1-NH2 2.78Å; D710-R713 PolarHBondContact OD1-NH2 3Å; D710-K714 WeakPolarHBondContact O-CG 3.47Å; D710-K714 PolarHBondContact O-N 2.81Å
711L88.7Confident86.6Confident46 Ų4652.2 Ų52.224%0.24125%0.252CS..Hα-helixtrans-62-42.2173.2-71.2173.8000112.1L645 A649 L707 M708 R713 K714 S715L645-L711 HydrophobicContact CD1-CD1 3.72Å; L645-L711 HydrophobicContact CD2-CD1 3.85Å; L645-L711 HydrophobicContact CG-CD1 3.75Å; A649-L711 HydrophobicContact CB-CD2 4.48Å; L707-L711 PolarHBondContact O-N 3.01Å; M708-L711 PolarHBondContact O-N 2.81Å; L711-R713 VanDerWaalsContact C-N 3.34Å; L711-R713 PolarHBondContact O-N 3.35Å; L711-K714 PolarHBondContact O-N 3.23Å; L711-S715 WeakPolarHBondContact O-CB 3.38Å; L711-S715 PolarHBondContact O-N 3.2Å; L711-S715 PolarHBondContact O-OG 2.78Å
712L89Confident86.2Confident1 Ų157 Ų571%0.00527%0.274CS..Hα-helixtrans-58.3-45.7175.4-177.772.7000111.3I655 L656 T667 I669 M708 A709 S715 A716 F752I655-L712 HydrophobicContact CG1-CB 4.14Å; I655-L712 HydrophobicContact CG1-CD1 4.13Å; I655-L712 HydrophobicContact CG2-CB 4.38Å; I655-L712 HydrophobicContact CG2-CD1 4.09Å; L656-L712 HydrophobicContact CD2-CD1 3.47Å; L656-L712 VanDerWaalsContact CD2-CD1 3.47Å; L656-L712 HydrophobicContact CG-CD1 4.43Å; T667-L712 HydrophobicContact CG2-CD1 4.44Å; I669-L712 HydrophobicContact CD1-CB 4.13Å; I669-L712 HydrophobicContact CD1-CD2 3.96Å; M708-L712 WeakPolarHBondContact O-CB 3.22Å; M708-L712 PolarHBondContact O-N 3Å; A709-L712 PolarHBondContact O-N 3.28Å; L712-S715 PolarHBondContact O-N 2.7Å; L712-A716 VanDerWaalsContact O-CB 3.31Å; L712-A716 WeakPolarHBondContact O-CB 3.42Å; L712-A716 PolarHBondContact O-N 3.23Å; L712-F752 HydrophobicContact CD2-CB 4.32Å; L712-F752 HydrophobicContact CD2-CD1 4.38Å; L712-F752 HydrophobicContact CD2-CD2 3.63Å; L712-F752 HydrophobicContact CD2-CE2 3.98Å; L712-F752 HydrophobicContact CD2-CG 3.86Å; L712-F752 HydrophobicContact CG-CD2 4.44Å; L712-F752 HydrophobicContact CG-CE2 4.35Å; L712-F752 HydrophobicContact CG-CZ 4.49Å
713R87.3Confident85.5Confident28 Ų2853 Ų5311%0.10626%0.264CS..Hα-helixtrans-62.7-47.1177.9-74.1-166.1-59.9-76.48.2112.2A709 D710 L711 S715 A716 A717 F752 Y754 N788A709-R713 WeakPolarHBondContact O-CG 3.29Å; A709-R713 PolarHBondContact O-N 2.92Å; A709-R713 PolarHBondContact O-NH1 3.22Å; A709-R713 VanDerWaalsContact O-NH1 3.15Å; D710-R713 VanDerWaalsContact CG-NH2 3.34Å; D710-R713 PolarHBondContact O-N 2.93Å; D710-R713 IonicContact OD1-CZ 3.28Å; D710-R713 VanDerWaalsContact OD1-CZ 3.28Å; D710-R713 IonicContact OD1-NH1 3.25Å; D710-R713 PolarHBondContact OD1-NH1 3.43Å; D710-R713 IonicContact OD1-NH2 2.78Å; D710-R713 PolarHBondContact OD1-NH2 3Å; L711-R713 VanDerWaalsContact C-N 3.34Å; L711-R713 PolarHBondContact O-N 3.35Å; R713-S715 VanDerWaalsContact C-N 3.33Å; R713-S715 PolarHBondContact O-N 3.37Å; R713-A716 PolarHBondContact O-N 2.82Å; R713-A717 WeakPolarHBondContact O-CB 3.4Å; R713-A717 PolarHBondContact O-N 2.77Å; R713-F752 HydrophobicContact CG-CE2 3.96Å; R713-F752 HydrophobicContact CG-CZ 4.32Å; R713-Y754 VanDerWaalsContact CD-CE2 3.48Å; R713-Y754 WeakPolarHBondContact CD-O 3.14Å; R713-Y754 HydrophobicContact CG-CD2 4.3Å; R713-Y754 HydrophobicContact CG-CE2 4.05Å; R713-Y754 PolarHBondContact NH1-O 3.1Å; R713-N788 PolarHBondContact NH2-ND2 3.41Å
714K86.6Confident84.7Confident147 Ų14751 Ų5164%0.63926%0.257SS*.Hα-helixtrans-60.1-44.3178-71.9175-178.3176.60111.5D710 L711 A717 L718D710-K714 WeakPolarHBondContact O-CG 3.47Å; D710-K714 PolarHBondContact O-N 2.81Å; L711-K714 PolarHBondContact O-N 3.23Å; K714-A717 PolarHBondContact O-N 2.97Å; K714-L718 PolarHBondContact O-N 3.41Å
715S85.9Confident84Confident39 Ų3957 Ų5727%0.27328%0.284SS..Hα-helixtrans-66.9-44.5180-54.70000111.8I655 L711 L712 R713 A717 L718 E719I655-S715 WeakPolarHBondContact CG2-OG 3.28Å; L711-S715 WeakPolarHBondContact O-CB 3.38Å; L711-S715 PolarHBondContact O-N 3.2Å; L711-S715 PolarHBondContact O-OG 2.78Å; L712-S715 PolarHBondContact O-N 2.7Å; R713-S715 VanDerWaalsContact C-N 3.33Å; R713-S715 PolarHBondContact O-N 3.37Å; S715-A717 PolarHBondContact O-N 2.9Å; S715-L718 WeakPolarHBondContact O-CB 3.23Å; S715-L718 PolarHBondContact O-N 3.08Å; S715-E719 PolarHBondContact O-N 2.93Å
716A83.7Confident83.1Confident14 Ų1462 Ų6212%0.11631%0.311CS..Hα-helixtrans-61-42.8175.400000112L656 L712 R713 L718 E719 E720 F752L656-A716 HydrophobicContact CD2-CB 4.44Å; L712-A716 VanDerWaalsContact O-CB 3.31Å; L712-A716 WeakPolarHBondContact O-CB 3.42Å; L712-A716 PolarHBondContact O-N 3.23Å; R713-A716 PolarHBondContact O-N 2.82Å; A716-L718 VanDerWaalsContact C-N 3.29Å; A716-L718 PolarHBondContact O-N 2.78Å; A716-E719 PolarHBondContact O-N 2.74Å; A716-E720 WeakPolarHBondContact O-CB 3.35Å; A716-E720 WeakPolarHBondContact O-CG 3.13Å; A716-E720 PolarHBondContact O-N 2.99Å; A716-F752 HydrophobicContact CB-CE1 3.92Å; A716-F752 HydrophobicContact CB-CZ 4.09Å
717A81.6Confident81.9Confident38 Ų3864.7 Ų64.731%0.31432%0.319SS..Hα-helixtrans-68.5-26.2177.400000113.5R713 K714 S715 R721R713-A717 WeakPolarHBondContact O-CB 3.4Å; R713-A717 PolarHBondContact O-N 2.77Å; K714-A717 PolarHBondContact O-N 2.97Å; S715-A717 PolarHBondContact O-N 2.9Å; A717-R721 PolarHBondContact O-N 3.01Å; A717-R721 PolarHBondContact O-NE 3.09Å; A717-R721 VanDerWaalsContact O-NE 3.16Å
718L82.8Confident80.8Confident85 Ų8568.9 Ų68.945%0.44534%0.337SS..Hα-helixtrans-74.5-44.5172.5-177.268.3000110.7K714 S715 A716 R721 K722K714-L718 PolarHBondContact O-N 3.41Å; S715-L718 WeakPolarHBondContact O-CB 3.23Å; S715-L718 PolarHBondContact O-N 3.08Å; A716-L718 VanDerWaalsContact C-N 3.29Å; A716-L718 PolarHBondContact O-N 2.78Å; L718-R721 WeakPolarHBondContact O-CB 3.13Å; L718-R721 PolarHBondContact O-N 3.46Å; L718-R721 VanDerWaalsContact O-N 3.1Å; L718-K722 PolarHBondContact O-N 3.16Å
719E80.1Confident79.4Confident68 Ų6873.2 Ų73.232%0.31837%0.367SS..Hα-helixtrans-66.2-38.8179.8-16258.5-151.500112.1L656 S715 A716 R721 K722 T723L656-E719 HydrophobicContact CD1-CB 4.32Å; S715-E719 PolarHBondContact O-N 2.93Å; A716-E719 PolarHBondContact O-N 2.74Å; E719-R721 VanDerWaalsContact C-N 3.28Å; E719-R721 PolarHBondContact O-N 3.11Å; E719-K722 PolarHBondContact O-N 3.44Å; E719-K722 IonicContact OE2-NZ 3.88Å; E719-T723 PolarHBondContact O-N 2.97Å; E719-T723 PolarHBondContact O-OG1 2.86Å
720E77.1Confident77.9Confident74 Ų7479 Ų7935%0.34640%0.397SS..Hα-helixtrans-59.7-37.1170.3-77-176-177.200112.1A716 T723 L724A716-E720 WeakPolarHBondContact O-CB 3.35Å; A716-E720 WeakPolarHBondContact O-CG 3.13Å; A716-E720 PolarHBondContact O-N 2.99Å; E720-T723 VanDerWaalsContact CA-OG1 3.27Å; E720-T723 WeakPolarHBondContact CA-OG1 3.33Å; E720-T723 PolarHBondContact O-OG1 2.98Å; E720-L724 WeakPolarHBondContact O-CB 3.29Å; E720-L724 WeakPolarHBondContact O-CD1 3.49Å; E720-L724 WeakPolarHBondContact O-CG 3.35Å; E720-L724 PolarHBondContact O-N 3.5Å
721R79.6Confident76Confident147 Ų14784.3 Ų84.356%0.55542%0.42SS*.Hα-helixtrans-69.5-45.3175.3-86.1-178-89.4-178.3-9112.2A717 L718 E719 T723 L724 E725A717-R721 PolarHBondContact O-N 3.01Å; A717-R721 PolarHBondContact O-NE 3.09Å; A717-R721 VanDerWaalsContact O-NE 3.16Å; L718-R721 WeakPolarHBondContact O-CB 3.13Å; L718-R721 PolarHBondContact O-N 3.46Å; L718-R721 VanDerWaalsContact O-N 3.1Å; E719-R721 VanDerWaalsContact C-N 3.28Å; E719-R721 PolarHBondContact O-N 3.11Å; R721-T723 VanDerWaalsContact C-N 3.33Å; R721-T723 PolarHBondContact O-N 3.04Å; R721-L724 WeakPolarHBondContact O-CB 3.23Å; R721-L724 PolarHBondContact O-N 2.85Å; R721-E725 WeakPolarHBondContact O-CG 3.44Å; R721-E725 PolarHBondContact O-N 3.34Å
722K78.6Confident74Confident106 Ų10687.6 Ų87.646%0.46145%0.445SS..Hα-helixtrans-59.4-43.4176.4-71177.6-177.51730111.8L718 E719 E725 L726L718-K722 PolarHBondContact O-N 3.16Å; E719-K722 PolarHBondContact O-N 3.44Å; E719-K722 IonicContact OE2-NZ 3.88Å; K722-E725 PolarHBondContact O-N 3.41Å; K722-L726 WeakPolarHBondContact O-CB 3.34Å; K722-L726 PolarHBondContact O-N 3.5Å
723T74.3Confident71.7Confident50 Ų5094.6 Ų94.631%0.30749%0.488SS..Hα-helixtrans-63.8-41.7175.833.10000111.8E719 E720 R721 E725 L726 E727E719-T723 PolarHBondContact O-N 2.97Å; E719-T723 PolarHBondContact O-OG1 2.86Å; E720-T723 VanDerWaalsContact CA-OG1 3.27Å; E720-T723 WeakPolarHBondContact CA-OG1 3.33Å; E720-T723 PolarHBondContact O-OG1 2.98Å; R721-T723 VanDerWaalsContact C-N 3.33Å; R721-T723 PolarHBondContact O-N 3.04Å; T723-E725 PolarHBondContact O-N 3.01Å; T723-L726 PolarHBondContact O-N 2.81Å; T723-E727 WeakPolarHBondContact O-CB 3.28Å; T723-E727 VanDerWaalsContact O-CG 3.29Å; T723-E727 WeakPolarHBondContact O-CG 3.44Å; T723-E727 PolarHBondContact O-N 2.87Å
724L72.3Confident69.5Low57 Ų5797.4 Ų97.430%0.29852%0.517SS..Hα-helixtrans-62.1-41174.2-73.1166.9000112.7E720 R721 Q728E720-L724 WeakPolarHBondContact O-CB 3.29Å; E720-L724 WeakPolarHBondContact O-CD1 3.49Å; E720-L724 WeakPolarHBondContact O-CG 3.35Å; E720-L724 PolarHBondContact O-N 3.5Å; R721-L724 WeakPolarHBondContact O-CB 3.23Å; R721-L724 PolarHBondContact O-N 2.85Å; L724-Q728 WeakPolarHBondContact O-CB 3.47Å; L724-Q728 WeakPolarHBondContact O-CG 3.29Å; L724-Q728 PolarHBondContact O-N 3.02Å
725E74.8Confident67.5Low126 Ų12698.8 Ų98.859%0.58953%0.53SS*.Hα-helixtrans-67-41.1176.5-73.1172.3-173.900111.6R721 K722 T723 Q728 S729R721-E725 WeakPolarHBondContact O-CG 3.44Å; R721-E725 PolarHBondContact O-N 3.34Å; K722-E725 PolarHBondContact O-N 3.41Å; T723-E725 PolarHBondContact O-N 3.01Å; E725-Q728 PolarHBondContact O-N 2.81Å; E725-S729 WeakPolarHBondContact O-CB 3.43Å; E725-S729 PolarHBondContact O-N 2.89Å
726L71Confident65Low110 Ų110105.6 Ų105.658%0.57656%0.562SS**Hα-helixtrans-63.3-44.9175.2-154.689.4000111.1K722 T723 Q728 S729 L730K722-L726 WeakPolarHBondContact O-CB 3.34Å; K722-L726 PolarHBondContact O-N 3.5Å; T723-L726 PolarHBondContact O-N 2.81Å; L726-Q728 VanDerWaalsContact C-N 3.34Å; L726-Q728 PolarHBondContact O-N 3.18Å; L726-S729 PolarHBondContact O-N 3.23Å; L726-S729 PolarHBondContact O-OG 3.28Å; L726-L730 HydrophobicContact CD2-CD1 4.34Å; L726-L730 HydrophobicContact CG-CD1 4.31Å; L726-L730 WeakPolarHBondContact O-CD1 3.34Å; L726-L730 WeakPolarHBondContact O-CG 3.38Å; L726-L730 PolarHBondContact O-N 3.31Å; L726-L730 VanDerWaalsContact O-N 3.12Å
727E66.4Low62.6Low124 Ų124114.4 Ų114.458%0.57960%0.598SS**Hα-helixtrans-62.8-38175.5-75.7179.1176.700112.4T723 S729 L730T723-E727 WeakPolarHBondContact O-CB 3.28Å; T723-E727 VanDerWaalsContact O-CG 3.29Å; T723-E727 WeakPolarHBondContact O-CG 3.44Å; T723-E727 PolarHBondContact O-N 2.87Å; E727-S729 VanDerWaalsContact C-N 3.35Å; E727-L730 PolarHBondContact O-N 3.06Å
728Q67.8Low60.6Low136 Ų136118.1 Ų118.164%0.63662%0.619SS**Hα-helixtrans-68.9-33.2174.6-74.4172.524.800112.3L724 E725 L726 L730L724-Q728 WeakPolarHBondContact O-CB 3.47Å; L724-Q728 WeakPolarHBondContact O-CG 3.29Å; L724-Q728 PolarHBondContact O-N 3.02Å; E725-Q728 PolarHBondContact O-N 2.81Å; L726-Q728 VanDerWaalsContact C-N 3.34Å; L726-Q728 PolarHBondContact O-N 3.18Å; Q728-L730 VanDerWaalsContact C-N 3.28Å; Q728-L730 PolarHBondContact O-N 3.3Å
729S61.8Low58.1Low91 Ų91125.3 Ų125.364%0.63664%0.64SS**Hα-helixtrans-72-20.817578.20000113.6E725 L726 E727E725-S729 WeakPolarHBondContact O-CB 3.43Å; E725-S729 PolarHBondContact O-N 2.89Å; L726-S729 PolarHBondContact O-N 3.23Å; L726-S729 PolarHBondContact O-OG 3.28Å; E727-S729 VanDerWaalsContact C-N 3.35Å
730L57.4Low55.6Low121 Ų121129.9 Ų129.963%0.63467%0.667SS**THydrogen-bonded Turntrans-95.714.9-177-75165.2000114.1L726 E727 Q728 P732L726-L730 HydrophobicContact CD2-CD1 4.34Å; L726-L730 HydrophobicContact CG-CD1 4.31Å; L726-L730 WeakPolarHBondContact O-CD1 3.34Å; L726-L730 WeakPolarHBondContact O-CG 3.38Å; L726-L730 PolarHBondContact O-N 3.31Å; L726-L730 VanDerWaalsContact O-N 3.12Å; E727-L730 PolarHBondContact O-N 3.06Å; Q728-L730 VanDerWaalsContact C-N 3.28Å; Q728-L730 PolarHBondContact O-N 3.3Å; L730-P732 WeakPolarHBondContact O-CD 3.41Å
731Q49.6Very low53.4Low162 Ų162132.8 Ų132.876%0.75769%0.694SS**  trans-57.4124-179.9-77.6-148.61.100112.1T733Q731-T733 PolarHBondContact O-N 2.82Å
732P46.4Very low50.9Low115 Ų115134.9 Ų134.975%0.74771%0.707SS**  trans-79.2120.2-175.629.3-31.9000111L730 A734L730-P732 WeakPolarHBondContact O-CD 3.41Å; P732-A734 PolarHBondContact O-N 2.85Å
733T41.2Very low48.6Very low149 Ų149134.2 Ų134.291%0.91472%0.716SS**SBendtrans-66.184.9156.740.70000109.5Q731Q731-T733 PolarHBondContact O-N 2.82Å
734A40.5Very low46.5Very low86 Ų86141.6 Ų141.671%0.71174%0.744SS**SBendtrans176.1125.9143.500000112.5P732 L736P732-A734 PolarHBondContact O-N 2.85Å; A734-L736 PolarHBondContact O-N 2.79Å
735L45.3Very low44.7Very low177 Ų177144.2 Ų144.293%0.92776%0.758SS**  trans-32.5114.1165.3-73.7147.5000116
736L33.2Very low43.3Very low181 Ų181146.4 Ų146.495%0.94876%0.761SS**  trans-139.5139149.6-86.1167.8000110.6A734A734-L736 PolarHBondContact O-N 2.79Å
737K33.5Very low41.8Very low199 Ų199146.9 Ų146.987%0.86576%0.764SS**  trans-74.7156.7-163.2-72.3176178.5174.70114.3
738P38.4Very low40.9Very low117 Ų117142.2 Ų142.276%0.7674%0.744SS**  trans-91.8107.2-174.534-29.3000112.1
739R31.6Very low40.3Very low235 Ų235140.2 Ų140.289%0.88774%0.741SS**  trans-15388.9157.2-77-162.3176168.9-2.5110
740D27.8Very low40.6Very low164 Ų164137.9 Ų137.988%0.87772%0.721SS**  trans168.771.7141.6-84.2-18.5000108.4K742D740-K742 VanDerWaalsContact C-N 3.3Å; D740-K742 PolarHBondContact O-N 3.37Å
741C29Very low41.6Very low136 Ų136136.9 Ų136.992%0.91971%0.711SS**  trans-73.684.4169.3-800000109.6
742K28.1Very low43.4Very low190 Ų190130.2 Ų130.283%0.82668%0.68SS**  trans-89.4119.2144-77.8-178.3179.61750106.4D740 F744D740-K742 VanDerWaalsContact C-N 3.3Å; D740-K742 PolarHBondContact O-N 3.37Å; K742-F744 PolarHBondContact O-N 3.11Å; K742-F744 VanDerWaalsContact O-N 3.15Å
743S29.9Very low45.3Very low93 Ų93124.7 Ų124.765%0.6564%0.644SS**  trans-30.9114.7174.651.90000112.3L745S743-L745 PolarHBondContact O-N 2.77Å
744F30.3Very low47.4Very low205 Ų205119.2 Ų119.290%0.89961%0.607SS**  trans-64.580.9159.6-79.4-90.3000107.3K742 R746K742-F744 PolarHBondContact O-N 3.11Å; K742-F744 VanDerWaalsContact O-N 3.15Å; F744-R746 PolarHBondContact O-N 2.85Å
745L34.8Very low49.5Very low111 Ų111116.7 Ų116.758%0.58158%0.58SS**  trans-65.692.8164.1-87.6155.9000105.9S743 L747S743-L745 PolarHBondContact O-N 2.77Å; L745-L747 PolarHBondContact O-N 2.79Å; L745-L747 VanDerWaalsContact O-N 3.08Å
746R46Very low51.4Low172 Ų172109 Ų10965%0.64954%0.541SS*.  trans-49.2111.7173.1-69.6175.7173163.6-5.2108.6F744F744-R746 PolarHBondContact O-N 2.85Å
747L38.5Very low53.8Low121 Ų121100.4 Ų100.463%0.63450%0.496SS*.  trans-88.4132.3175.2-83.9131.7000108.7L745L745-L747 PolarHBondContact O-N 2.79Å; L745-L747 VanDerWaalsContact O-N 3.08Å
748P47.5Very low56.3Low25 Ų2592.8 Ų92.816%0.16246%0.462CS..  trans-66.4148.2177.521.1-25.8000111.6L750 K751 Y774P748-L750 PolarHBondContact O-N 3.02Å; P748-L750 VanDerWaalsContact O-N 3.17Å; P748-K751 HydrophobicContact CG-CG 4.38Å; P748-Y774 HydrophobicContact CG-CE2 3.69Å
749V55.3Low58.4Low95 Ų9588.2 Ų88.258%0.57643%0.433SS*.SBendtrans-56-30.6-178.1179.90000112
750L67.8Low60.6Low41 Ų4178.7 Ų78.722%0.21540%0.401CS..SBendtrans-140133169.9-96.4135000110L656 T667 P748 F752L656-L750 HydrophobicContact CB-CD1 4.3Å; L656-L750 HydrophobicContact CD2-CD1 3.93Å; T667-L750 HydrophobicContact CG2-CD2 4.24Å; P748-L750 PolarHBondContact O-N 3.02Å; P748-L750 VanDerWaalsContact O-N 3.17Å; L750-F752 HydrophobicContact CB-CD1 4.36Å; L750-F752 WeakPolarHBondContact O-CD1 3.47Å
751K79.5Confident62.6Low100 Ų10076 Ų7644%0.43539%0.386SS..  trans-89.9105.9173.5-68.9178.4-177.4167.70109.6P748 S759 L764 Y774P748-K751 HydrophobicContact CG-CG 4.38Å; K751-S759 VanDerWaalsContact O-CB 3.24Å; K751-S759 WeakPolarHBondContact O-CB 3.21Å; K751-L764 HydrophobicContact CB-CD1 4.01Å; K751-L764 VanDerWaalsContact O-CD1 3.25Å; K751-L764 WeakPolarHBondContact O-CD1 3.49Å; K751-Y774 HydrophobicContact CB-CD2 4.49Å; K751-Y774 HydrophobicContact CB-CE2 4.41Å; K751-Y774 HydrophobicContact CD-CE2 4.5Å; K751-Y774 HydrophobicContact CG-CD2 4.47Å; K751-Y774 HydrophobicContact CG-CE2 3.92Å
752F85.8Confident65Low22 Ų2271.3 Ų71.310%0.09635%0.353CS..  trans-132.6160.5178.965.5-87000112L712 R713 A716 L750 Y754 R758L712-F752 HydrophobicContact CD2-CB 4.32Å; L712-F752 HydrophobicContact CD2-CD1 4.38Å; L712-F752 HydrophobicContact CD2-CD2 3.63Å; L712-F752 HydrophobicContact CD2-CE2 3.98Å; L712-F752 HydrophobicContact CD2-CG 3.86Å; L712-F752 HydrophobicContact CG-CD2 4.44Å; L712-F752 HydrophobicContact CG-CE2 4.35Å; L712-F752 HydrophobicContact CG-CZ 4.49Å; R713-F752 HydrophobicContact CG-CE2 3.96Å; R713-F752 HydrophobicContact CG-CZ 4.32Å; A716-F752 HydrophobicContact CB-CE1 3.92Å; A716-F752 HydrophobicContact CB-CZ 4.09Å; L750-F752 HydrophobicContact CB-CD1 4.36Å; L750-F752 WeakPolarHBondContact O-CD1 3.47Å; F752-Y754 HydrophobicContact CE2-CD2 4.45Å; F752-Y754 PolarHBondContact O-N 2.86Å; F752-R758 CarbonylContact C-O 3.55Å
753C87Confident67.5Low0 Ų071.7 Ų71.70%036%0.355CS..BIsolated β-bridgetrans-71.9121.4174.4176.30000110.5H755 C756 G757 R758 L764 Y774 C776C753-H755 VanDerWaalsContact C-N 3.25Å; C753-H755 PolarHBondContact O-N 2.95Å; C753-H755 VanDerWaalsContact O-N 3.12Å; C753-C756 PolarHBondContact O-N 3.08Å; C753-C756 PolarHBondContact SG-SG 3.22Å; C753-G757 WeakPolarHBondContact O-CA 3.44Å; C753-G757 PolarHBondContact O-N 3.5Å; C753-R758 WeakPolarHBondContact CB-O 3.38Å; C753-R758 PolarHBondContact N-O 2.77Å; C753-L764 HydrophobicContact CB-CD2 3.85Å; C753-Y774 CarbonylContact C-O 3.48Å; C753-Y774 WeakPolarHBondContact CA-O 3.42Å; C753-C776 HydrophobicContact CB-CB 3.97Å; C753-C776 PolarHBondContact SG-N 2.99Å
754Y84.9Confident70.1Confident34 Ų3469.6 Ų69.613%0.13334%0.336CS..THydrogen-bonded Turntrans-59-32.4-174.9-153.3-119000114.8R713 F752 V773 Y774 N788 H789 E792R713-Y754 VanDerWaalsContact CD-CE2 3.48Å; R713-Y754 WeakPolarHBondContact CD-O 3.14Å; R713-Y754 HydrophobicContact CG-CD2 4.3Å; R713-Y754 HydrophobicContact CG-CE2 4.05Å; R713-Y754 PolarHBondContact NH1-O 3.1Å; F752-Y754 HydrophobicContact CE2-CD2 4.45Å; F752-Y754 PolarHBondContact O-N 2.86Å; Y754-V773 HydrophobicContact CD1-CG1 3.85Å; Y754-V773 HydrophobicContact CD2-CG1 3.55Å; Y754-V773 HydrophobicContact CD2-CG2 4.3Å; Y754-V773 HydrophobicContact CE2-CG1 4.36Å; Y754-V773 HydrophobicContact CE2-CG2 4.38Å; Y754-V773 HydrophobicContact CG-CG1 3.27Å; Y754-Y774 PolarHBondContact N-O 2.97Å; Y754-N788 HydrophobicContact CE1-CB 4.23Å; Y754-H789 HydrophobicContact CD1-CB 4.17Å; Y754-H789 HydrophobicContact CE1-CB 4.16Å; Y754-E792 WeakPolarHBondContact CE1-OE2 3.32Å; Y754-E792 VanDerWaalsContact CZ-OE2 3.25Å; Y754-E792 PolarHBondContact OH-OE1 2.83Å; Y754-E792 VanDerWaalsContact OH-OE1 3.12Å; Y754-E792 PolarHBondContact OH-OE2 2.76Å
755H85.9Confident72.7Confident32 Ų3262.7 Ų62.715%0.14832%0.317CS..THydrogen-bonded Turntrans-81-55.9178.7-171.158000113C753 C780 K783 E787C753-H755 VanDerWaalsContact C-N 3.25Å; C753-H755 PolarHBondContact O-N 2.95Å; C753-H755 VanDerWaalsContact O-N 3.12Å; H755-C780 HydrophobicContact CB-CB 3.89Å; H755-K783 VanDerWaalsContact NE2-CD 3.3Å; H755-K783 WeakPolarHBondContact NE2-CD 3.47Å; H755-E787 IonicContact CE1-OE2 3.48Å; H755-E787 PolarHBondContact CE1-OE2 2.81Å; H755-E787 VanDerWaalsContact CE1-OE2 3.22Å; H755-E787 IonicContact ND1-OE2 2.99Å
756C84.4Confident75.1Confident15 Ų1561.2 Ų61.210%0.10131%0.309CS..THydrogen-bonded Turntrans-103.72.6-169.967.30000115.1I669 C753 R758 C776I669-C756 WeakPolarHBondContact CG2-O 3.18Å; C753-C756 PolarHBondContact O-N 3.08Å; C753-C756 PolarHBondContact SG-SG 3.22Å; C756-R758 PolarHBondContact O-N 2.74Å; C756-R758 VanDerWaalsContact O-N 3.08Å; C756-C776 PolarHBondContact SG-SG 2.96Å
757G84.3Confident76.8Confident1 Ų153.2 Ų53.21%0.0128%0.279CS..  trans73.3-6.5176.400000116.3C753 S759C753-G757 WeakPolarHBondContact O-CA 3.44Å; C753-G757 PolarHBondContact O-N 3.5Å; G757-S759 PolarHBondContact O-N 3.14Å
758R85.4Confident78.7Confident39 Ų3950.6 Ų50.615%0.14728%0.281CS..  trans-66.1129.9-178.5-65.1-175.271.8-178.72.4112.6D670 Y673 F752 C753 C756 V762D670-R758 WeakPolarHBondContact OD1-CA 3.27Å; Y673-R758 VanDerWaalsContact CD2-CD 3.49Å; Y673-R758 HydrophobicContact CD2-CG 3.36Å; Y673-R758 HydrophobicContact CE2-CG 3.43Å; Y673-R758 VanDerWaalsContact CE2-CG 3.43Å; Y673-R758 HydrophobicContact CG-CG 4.15Å; F752-R758 CarbonylContact C-O 3.55Å; C753-R758 WeakPolarHBondContact CB-O 3.38Å; C753-R758 PolarHBondContact N-O 2.77Å; C756-R758 PolarHBondContact O-N 2.74Å; C756-R758 VanDerWaalsContact O-N 3.08Å; R758-V762 HydrophobicContact CB-CG1 4.35Å; R758-V762 HydrophobicContact CB-CG2 3.94Å
759S82.6Confident80.1Confident21 Ų2157.3 Ų57.315%0.14730%0.303CS..  trans-112.1-37.4175.215.60000112.4D670 K751 G757D670-S759 PolarHBondContact OD1-N 2.98Å; D670-S759 WeakPolarHBondContact OD2-CB 3.11Å; D670-S759 PolarHBondContact OD2-N 2.99Å; D670-S759 PolarHBondContact OD2-OG 2.63Å; K751-S759 VanDerWaalsContact O-CB 3.24Å; K751-S759 WeakPolarHBondContact O-CB 3.21Å; G757-S759 PolarHBondContact O-N 3.14Å
760V78Confident81.1Confident35 Ų3553.6 Ų53.621%0.21228%0.281CS..SBendtrans-109.4153.3-170.7-1680000110.7V665 D670 V762V665-V760 VanDerWaalsContact O-CG2 3.28Å; V665-V760 WeakPolarHBondContact O-CG2 3.39Å; D670-V760 HydrophobicContact CB-CB 4.4Å; D670-V760 PolarHBondContact OD1-N 2.85Å; D670-V760 VanDerWaalsContact OD1-N 3.08Å; D670-V760 PolarHBondContact OD2-N 2.82Å; V760-V762 PolarHBondContact O-N 2.77Å
761L70.4Confident81.6Confident109 Ų10956.8 Ų56.857%0.57130%0.295SS*.SBendtrans60.319.8-176.9-52.6174.6000114.9
762V78.9Confident81.3Confident37 Ų3756.7 Ų56.722%0.22429%0.292CS..SBendtrans-134.8145177.9-67.70000112.7R758 V760 L764 C776R758-V762 HydrophobicContact CB-CG1 4.35Å; R758-V762 HydrophobicContact CB-CG2 3.94Å; V760-V762 PolarHBondContact O-N 2.77Å; V762-L764 HydrophobicContact CG2-CD2 4.16Å; V762-L764 HydrophobicContact CG2-CG 4.37Å; V762-L764 PolarHBondContact O-N 2.86Å; V762-C776 HydrophobicContact CB-CB 3.98Å; V762-C776 HydrophobicContact CG1-CB 4.31Å; V762-C776 HydrophobicContact CG2-CB 4.11Å
763K79.9Confident81.1Confident198 Ų19856.2 Ų56.286%0.86129%0.291SS*.  trans-83.2114.3171.9-68.3-175-179.4-1790109.8
764L85.8Confident81.1Confident48 Ų4857.8 Ų57.825%0.25130%0.297SS..PPolyproline II helixtrans-90.7122-179.9-70.2178.3000111.5K751 C753 V762 Y774 C776K751-L764 HydrophobicContact CB-CD1 4.01Å; K751-L764 VanDerWaalsContact O-CD1 3.25Å; K751-L764 WeakPolarHBondContact O-CD1 3.49Å; C753-L764 HydrophobicContact CB-CD2 3.85Å; V762-L764 HydrophobicContact CG2-CD2 4.16Å; V762-L764 HydrophobicContact CG2-CG 4.37Å; V762-L764 PolarHBondContact O-N 2.86Å; L764-Y774 HydrophobicContact CB-CD1 4.28Å; L764-Y774 HydrophobicContact CB-CG 4.47Å; L764-C776 HydrophobicContact CD2-CB 4.2Å
765A84.4Confident81.2Confident60 Ų6056.4 Ų56.450%0.49629%0.292SS..EExtended strand (participates in β ladder)trans-99.1131.5172.700000110.3Y774 F775A765-Y774 CarbonylContact O-C 3.47Å; A765-Y774 WeakPolarHBondContact O-CA 3.21Å; A765-F775 PolarHBondContact N-O 2.96Å; A765-F775 PolarHBondContact O-N 3.19Å
766I84.3Confident81.3Confident81 Ų8156.5 Ų56.542%0.41530%0.295SS..EExtended strand (participates in β ladder)trans-77.1150.1-178.7-156.3171.1000111.9G768 Q771 Y774I766-G768 PolarHBondContact O-N 2.93Å; I766-Q771 HydrophobicContact CD1-CB 4.15Å; I766-Q771 WeakPolarHBondContact CD1-O 3.26Å; I766-Y774 HydrophobicContact CB-CD1 4.04Å; I766-Y774 HydrophobicContact CB-CE1 3.97Å; I766-Y774 HydrophobicContact CD1-CE1 3.92Å; I766-Y774 HydrophobicContact CG1-CD1 4.07Å; I766-Y774 HydrophobicContact CG1-CE1 3.75Å
767C82.7Confident81.4Confident4 Ų458.1 Ų58.13%0.02731%0.307CS..PPolyproline II helixtrans-67.8121.8170.5-172.60000110.5R769 C770 Q771 V773 F775 H789C767-R769 PolarHBondContact O-N 3.07Å; C767-C770 VanDerWaalsContact CB-SG 3.59Å; C767-Q771 VanDerWaalsContact O-CA 3.27Å; C767-Q771 WeakPolarHBondContact O-CA 3.33Å; C767-Q771 PolarHBondContact O-N 2.83Å; C767-V773 HydrophobicContact CB-CB 4.46Å; C767-V773 WeakPolarHBondContact CB-O 3.48Å; C767-V773 PolarHBondContact N-O 2.78Å; C767-F775 HydrophobicContact CB-CE2 3.81Å; C767-F775 HydrophobicContact CB-CZ 4.39Å; C767-H789 PolarHBondContact SG-NE2 3.34Å
768G77.2Confident81.5Confident65 Ų6567.1 Ų67.167%0.6735%0.346SS*.THydrogen-bonded Turntrans-69-9.5179.800000115.4I766I766-G768 PolarHBondContact O-N 2.93Å
769R78.3Confident81.5Confident166 Ų16668.4 Ų68.463%0.62636%0.361SS*.THydrogen-bonded Turntrans-96.1-64.7178.6-70.2-175-177.2-170.52112C767C767-R769 PolarHBondContact O-N 3.07Å
770C76Confident81.6Confident17 Ų1768.1 Ų68.112%0.11536%0.358CS..THydrogen-bonded Turntrans-87.8-14.5-176.564.50000114.3C767 R772 H789C767-C770 VanDerWaalsContact CB-SG 3.59Å; C770-R772 WeakPolarHBondContact O-CG 3.25Å; C770-R772 PolarHBondContact O-N 2.97Å; C770-H789 PolarHBondContact SG-CE1 2.94Å
771Q77.7Confident82Confident109 Ų10971.4 Ų71.451%0.50937%0.37SS..SBendtrans51.714.6-176.9-59.4-170.7-5.700116.4I766 C767I766-Q771 HydrophobicContact CD1-CB 4.15Å; I766-Q771 WeakPolarHBondContact CD1-O 3.26Å; C767-Q771 VanDerWaalsContact O-CA 3.27Å; C767-Q771 WeakPolarHBondContact O-CA 3.33Å; C767-Q771 PolarHBondContact O-N 2.83Å
772R72.7Confident82.7Confident98 Ų9872.5 Ų72.537%0.3737%0.374SS..SBendtrans-107.9-24.7-178.2-71.5175.8112.5172-0.7113.7C770 M796C770-R772 WeakPolarHBondContact O-CG 3.25Å; C770-R772 PolarHBondContact O-N 2.97Å; R772-M796 PolarHBondContact NH1-SD 3.16Å
773V82.3Confident82.9Confident12 Ų1275.5 Ų75.57%0.07338%0.384CS..  trans-109.1142.5-172.4-179.40000111.2Y754 C767 F775 H789Y754-V773 HydrophobicContact CD1-CG1 3.85Å; Y754-V773 HydrophobicContact CD2-CG1 3.55Å; Y754-V773 HydrophobicContact CD2-CG2 4.3Å; Y754-V773 HydrophobicContact CE2-CG1 4.36Å; Y754-V773 HydrophobicContact CE2-CG2 4.38Å; Y754-V773 HydrophobicContact CG-CG1 3.27Å; C767-V773 HydrophobicContact CB-CB 4.46Å; C767-V773 WeakPolarHBondContact CB-O 3.48Å; C767-V773 PolarHBondContact N-O 2.78Å; V773-F775 HydrophobicContact CB-CZ 4.4Å; V773-F775 HydrophobicContact CG1-CE1 3.82Å; V773-F775 HydrophobicContact CG1-CE2 4.47Å; V773-F775 HydrophobicContact CG1-CZ 3.71Å; V773-H789 VanDerWaalsContact CG2-CE1 3.42Å; V773-H789 WeakPolarHBondContact CG2-CE1 3.39Å
774Y86.8Confident83.1Confident32 Ų3266.1 Ų66.113%0.12534%0.343CS..EExtended strand (participates in β ladder)trans-117.8154.8-178.2-58.5-89.1000113.3P748 K751 C753 Y754 L764 A765 I766P748-Y774 HydrophobicContact CG-CE2 3.69Å; K751-Y774 HydrophobicContact CB-CD2 4.49Å; K751-Y774 HydrophobicContact CB-CE2 4.41Å; K751-Y774 HydrophobicContact CD-CE2 4.5Å; K751-Y774 HydrophobicContact CG-CD2 4.47Å; K751-Y774 HydrophobicContact CG-CE2 3.92Å; C753-Y774 CarbonylContact C-O 3.48Å; C753-Y774 WeakPolarHBondContact CA-O 3.42Å; Y754-Y774 PolarHBondContact N-O 2.97Å; L764-Y774 HydrophobicContact CB-CD1 4.28Å; L764-Y774 HydrophobicContact CB-CG 4.47Å; A765-Y774 CarbonylContact O-C 3.47Å; A765-Y774 WeakPolarHBondContact O-CA 3.21Å; I766-Y774 HydrophobicContact CB-CD1 4.04Å; I766-Y774 HydrophobicContact CB-CE1 3.97Å; I766-Y774 HydrophobicContact CD1-CE1 3.92Å; I766-Y774 HydrophobicContact CG1-CD1 4.07Å; I766-Y774 HydrophobicContact CG1-CE1 3.75Å
775F87.3Confident82.9Confident6 Ų666.7 Ų66.73%0.02634%0.342CS..EExtended strand (participates in β ladder)trans-138137.7179.8-47.7-73.5000112.1A765 C767 V773 K781 S784 H789A765-F775 PolarHBondContact N-O 2.96Å; A765-F775 PolarHBondContact O-N 3.19Å; C767-F775 HydrophobicContact CB-CE2 3.81Å; C767-F775 HydrophobicContact CB-CZ 4.39Å; V773-F775 HydrophobicContact CB-CZ 4.4Å; V773-F775 HydrophobicContact CG1-CE1 3.82Å; V773-F775 HydrophobicContact CG1-CE2 4.47Å; V773-F775 HydrophobicContact CG1-CZ 3.71Å; F775-K781 HydrophobicContact CB-CB 4.09Å; F775-K781 HydrophobicContact CD1-CB 4.29Å; F775-K781 HydrophobicContact CD2-CB 4.13Å; F775-K781 HydrophobicContact CD2-CD 4.27Å; F775-K781 HydrophobicContact CD2-CG 3.88Å; F775-K781 HydrophobicContact CE2-CG 4.08Å; F775-K781 HydrophobicContact CG-CB 3.89Å; F775-K781 HydrophobicContact CG-CG 4.15Å; F775-S784 WeakPolarHBondContact CD1-OG 3.27Å; F775-S784 WeakPolarHBondContact CE1-OG 3.31Å; F775-H789 AromaticContact CZ-CD2 3.92Å
776C87.6Confident82.7Confident33 Ų3369.8 Ų69.822%0.22335%0.35CS..SBendtrans-85.4-16.8178.569.80000114.3C753 C756 V762 L764C753-C776 HydrophobicContact CB-CB 3.97Å; C753-C776 PolarHBondContact SG-N 2.99Å; C756-C776 PolarHBondContact SG-SG 2.96Å; V762-C776 HydrophobicContact CB-CB 3.98Å; V762-C776 HydrophobicContact CG1-CB 4.31Å; V762-C776 HydrophobicContact CG2-CB 4.11Å; L764-C776 HydrophobicContact CD2-CB 4.2Å
777S87.7Confident82.5Confident50 Ų5071.6 Ų71.635%0.3536%0.357SS..SBendtrans-155161.6-17872.40000112.6S779 C780 K781S777-S779 PolarHBondContact O-N 3.04Å; S777-C780 PolarHBondContact O-N 3.16Å; S777-C780 WeakPolarHBondContact OG-CB 2.92Å; S777-C780 PolarHBondContact OG-N 2.86Å; S777-C780 VanDerWaalsContact OG-N 3.08Å; S777-C780 PolarHBondContact OG-SG 3.11Å; S777-K781 PolarHBondContact O-N 2.95Å
778K84.8Confident82.1Confident190 Ų19074.2 Ų74.283%0.82637%0.37SS*.Hα-helixtrans-58.9-37.2173.3-69.9-175.6-179.6178.90112.1K781 M782K778-K781 PolarHBondContact O-N 3Å; K778-M782 WeakPolarHBondContact O-CG 3.34Å; K778-M782 PolarHBondContact O-N 2.84Å
779S86.5Confident82.3Confident66 Ų6671.1 Ų71.146%0.46234%0.339SS..Hα-helixtrans-66.2-47.4177.9-179.40000111.6S777 K781 M782 K783S777-S779 PolarHBondContact O-N 3.04Å; S779-K781 VanDerWaalsContact C-N 3.27Å; S779-K781 PolarHBondContact O-N 3.27Å; S779-M782 PolarHBondContact O-N 2.95Å; S779-K783 WeakPolarHBondContact O-CG 3.28Å; S779-K783 PolarHBondContact O-N 2.9Å
780C85.5Confident82.4Confident14 Ų1468.4 Ų68.410%0.09533%0.331CS..Hα-helixtrans-59.9-38.7175.2-71.90000111.8H755 S777 S784H755-C780 HydrophobicContact CB-CB 3.89Å; S777-C780 PolarHBondContact O-N 3.16Å; S777-C780 WeakPolarHBondContact OG-CB 2.92Å; S777-C780 PolarHBondContact OG-N 2.86Å; S777-C780 VanDerWaalsContact OG-N 3.08Å; S777-C780 PolarHBondContact OG-SG 3.11Å; C780-S784 WeakPolarHBondContact O-CB 3.47Å; C780-S784 PolarHBondContact O-N 3.38Å; C780-S784 PolarHBondContact O-OG 3.01Å
781K85Confident82.3Confident104 Ų10474.6 Ų74.645%0.45236%0.359SS..Hα-helixtrans-62.5-45.7175.4-175.8179.6178.5-179.50112.7F775 S777 K778 S779 S784 W785F775-K781 HydrophobicContact CB-CB 4.09Å; F775-K781 HydrophobicContact CD1-CB 4.29Å; F775-K781 HydrophobicContact CD2-CB 4.13Å; F775-K781 HydrophobicContact CD2-CD 4.27Å; F775-K781 HydrophobicContact CD2-CG 3.88Å; F775-K781 HydrophobicContact CE2-CG 4.08Å; F775-K781 HydrophobicContact CG-CB 3.89Å; F775-K781 HydrophobicContact CG-CG 4.15Å; S777-K781 PolarHBondContact O-N 2.95Å; K778-K781 PolarHBondContact O-N 3Å; S779-K781 VanDerWaalsContact C-N 3.27Å; S779-K781 PolarHBondContact O-N 3.27Å; K781-S784 PolarHBondContact O-OG 2.82Å; K781-W785 VanDerWaalsContact O-CB 3.26Å; K781-W785 WeakPolarHBondContact O-CB 3.27Å; K781-W785 PolarHBondContact O-N 2.88Å
782M85Confident82.2Confident132 Ų13272.7 Ų72.765%0.6535%0.35SS*.Hα-helixtrans-67.4-47.3179.2-65.8-152.5-54.600111.7K778 S779 W785 D786K778-M782 WeakPolarHBondContact O-CG 3.34Å; K778-M782 PolarHBondContact O-N 2.84Å; S779-M782 PolarHBondContact O-N 2.95Å; M782-W785 WeakPolarHBondContact O-CB 3.46Å; M782-W785 PolarHBondContact O-N 3.13Å; M782-D786 PolarHBondContact O-N 2.88Å
783K84.3Confident82.4Confident101 Ų10168.1 Ų68.144%0.43933%0.333SS..Hα-helixtrans-61.9-48.4179.8-69.2-175174.8-1670112.9H755 S779 W785 D786 E787H755-K783 VanDerWaalsContact NE2-CD 3.3Å; H755-K783 WeakPolarHBondContact NE2-CD 3.47Å; S779-K783 WeakPolarHBondContact O-CG 3.28Å; S779-K783 PolarHBondContact O-N 2.9Å; K783-W785 VanDerWaalsContact C-N 3.27Å; K783-W785 PolarHBondContact O-N 2.87Å; K783-D786 PolarHBondContact O-N 2.85Å; K783-E787 WeakPolarHBondContact O-CB 3.41Å; K783-E787 WeakPolarHBondContact O-CG 3.27Å; K783-E787 PolarHBondContact O-N 2.76Å
784S82.3Confident82Confident0 Ų072.3 Ų72.30%035%0.354CS..Hα-helixtrans-62-35.7175.551.40000112.7F775 C780 K781 N788 H789F775-S784 WeakPolarHBondContact CD1-OG 3.27Å; F775-S784 WeakPolarHBondContact CE1-OG 3.31Å; C780-S784 WeakPolarHBondContact O-CB 3.47Å; C780-S784 PolarHBondContact O-N 3.38Å; C780-S784 PolarHBondContact O-OG 3.01Å; K781-S784 PolarHBondContact O-OG 2.82Å; S784-N788 PolarHBondContact O-N 2.78Å; S784-H789 VanDerWaalsContact O-CB 3.28Å; S784-H789 WeakPolarHBondContact O-CB 3.39Å; S784-H789 PolarHBondContact O-N 2.76Å
785W82.1Confident81Confident61 Ų6177.7 Ų77.723%0.23138%0.38CS..Iπ-helixtrans-60.2-47.7174.6-174-91.9000111.1K781 M782 K783 H789 K790 C793K781-W785 VanDerWaalsContact O-CB 3.26Å; K781-W785 WeakPolarHBondContact O-CB 3.27Å; K781-W785 PolarHBondContact O-N 2.88Å; M782-W785 WeakPolarHBondContact O-CB 3.46Å; M782-W785 PolarHBondContact O-N 3.13Å; K783-W785 VanDerWaalsContact C-N 3.27Å; K783-W785 PolarHBondContact O-N 2.87Å; W785-H789 AromaticContact CE3-CD2 3.79Å; W785-H789 AromaticContact CZ3-CD2 3.93Å; W785-K790 HydrophobicContact CD2-CB 4.42Å; W785-K790 HydrophobicContact CZ2-CB 4.48Å; W785-K790 HydrophobicContact CZ2-CG 4.27Å; W785-K790 WeakPolarHBondContact O-CB 3.29Å; W785-K790 PolarHBondContact O-N 2.76Å; W785-C793 HydrophobicContact CZ3-CB 4.27Å
786D81.4Confident79.7Confident124 Ų12480.6 Ų80.666%0.66340%0.395SS*.Iπ-helixtrans-72.6-34.5-177.1-64.6-27.9000113M782 K783M782-D786 PolarHBondContact O-N 2.88Å; K783-D786 PolarHBondContact O-N 2.85Å
787E79.5Confident77.9Confident119 Ų11982.3 Ų82.356%0.55641%0.411SS*.Iπ-helixtrans-92.6-44.1-171.3-67.4167.2-179.900114H755 K783H755-E787 IonicContact CE1-OE2 3.48Å; H755-E787 PolarHBondContact CE1-OE2 2.81Å; H755-E787 VanDerWaalsContact CE1-OE2 3.22Å; H755-E787 IonicContact ND1-OE2 2.99Å; K783-E787 WeakPolarHBondContact O-CB 3.41Å; K783-E787 WeakPolarHBondContact O-CG 3.27Å; K783-E787 PolarHBondContact O-N 2.76Å
788N73.8Confident75.8Confident59 Ų5983.3 Ų83.332%0.31643%0.429SS..Iπ-helixtrans-135.1-37.2-163.6-61.1-40.8000114.3R713 Y754 S784R713-N788 PolarHBondContact NH2-ND2 3.41Å; Y754-N788 HydrophobicContact CE1-CB 4.23Å; S784-N788 PolarHBondContact O-N 2.78Å
789H81.3Confident73.6Confident1 Ų185 Ų851%0.00544%0.44CS..Iπ-helixtrans-88.9-27.5-165.5-174.352.6000113.8Y754 C767 C770 V773 F775 S784 W785 E791 E792 C793Y754-H789 HydrophobicContact CD1-CB 4.17Å; Y754-H789 HydrophobicContact CE1-CB 4.16Å; C767-H789 PolarHBondContact SG-NE2 3.34Å; C770-H789 PolarHBondContact SG-CE1 2.94Å; V773-H789 VanDerWaalsContact CG2-CE1 3.42Å; V773-H789 WeakPolarHBondContact CG2-CE1 3.39Å; F775-H789 AromaticContact CZ-CD2 3.92Å; S784-H789 VanDerWaalsContact O-CB 3.28Å; S784-H789 WeakPolarHBondContact O-CB 3.39Å; S784-H789 PolarHBondContact O-N 2.76Å; W785-H789 AromaticContact CE3-CD2 3.79Å; W785-H789 AromaticContact CZ3-CD2 3.93Å; H789-E791 VanDerWaalsContact C-N 3.35Å; H789-E791 PolarHBondContact O-N 2.93Å; H789-E792 PolarHBondContact O-N 2.92Å; H789-C793 PolarHBondContact NE2-SG 3.38Å; H789-C793 VanDerWaalsContact NE2-SG 3.38Å; H789-C793 WeakPolarHBondContact O-CB 3.05Å; H789-C793 PolarHBondContact O-N 2.85Å
790K80.8Confident72.9Confident109 Ų10986 Ų8647%0.47444%0.439SS..Hα-helixtrans-57.9-44.3-172.6173.3-178.4179.1-1690112.6W785 L794W785-K790 HydrophobicContact CD2-CB 4.42Å; W785-K790 HydrophobicContact CZ2-CB 4.48Å; W785-K790 HydrophobicContact CZ2-CG 4.27Å; W785-K790 WeakPolarHBondContact O-CB 3.29Å; W785-K790 PolarHBondContact O-N 2.76Å; K790-L794 HydrophobicContact CG-CD1 4.12Å; K790-L794 WeakPolarHBondContact O-CB 3.44Å; K790-L794 WeakPolarHBondContact O-CD1 3.18Å; K790-L794 WeakPolarHBondContact O-CG 3.19Å; K790-L794 PolarHBondContact O-N 2.74Å
791E74.2Confident72.2Confident147 Ų14789.8 Ų89.869%0.68746%0.457SS*.Hα-helixtrans-73.6-46.6-178.3-61.7-166167.100112.1H789 C793 L794 Q795H789-E791 VanDerWaalsContact C-N 3.35Å; H789-E791 PolarHBondContact O-N 2.93Å; E791-C793 VanDerWaalsContact C-N 3.31Å; E791-C793 PolarHBondContact O-N 2.63Å; E791-L794 PolarHBondContact O-N 3.39Å; E791-L794 VanDerWaalsContact O-N 3.16Å; E791-Q795 WeakPolarHBondContact O-CG 3.27Å; E791-Q795 PolarHBondContact O-N 3.32Å
792E75.8Confident71.5Confident69 Ų6989 Ų8932%0.32246%0.458SS..Hα-helixtrans-60.7-39.5177.1-62.3172.3165.400112.4Y754 H789 L794 Q795 M796Y754-E792 WeakPolarHBondContact CE1-OE2 3.32Å; Y754-E792 VanDerWaalsContact CZ-OE2 3.25Å; Y754-E792 PolarHBondContact OH-OE1 2.83Å; Y754-E792 VanDerWaalsContact OH-OE1 3.12Å; Y754-E792 PolarHBondContact OH-OE2 2.76Å; H789-E792 PolarHBondContact O-N 2.92Å; E792-L794 VanDerWaalsContact C-N 3.33Å; E792-Q795 PolarHBondContact O-N 3.15Å; E792-M796 WeakPolarHBondContact O-CB 3.13Å; E792-M796 WeakPolarHBondContact O-CG 3.39Å; E792-M796 PolarHBondContact O-N 3.04Å
793C76.4Confident70.7Confident2 Ų286.5 Ų86.51%0.01445%0.446CS..Hα-helixtrans-67.7-35.2178.3-165.30000111.8W785 H789 E791 A797W785-C793 HydrophobicContact CZ3-CB 4.27Å; H789-C793 PolarHBondContact NE2-SG 3.38Å; H789-C793 VanDerWaalsContact NE2-SG 3.38Å; H789-C793 WeakPolarHBondContact O-CB 3.05Å; H789-C793 PolarHBondContact O-N 2.85Å; E791-C793 VanDerWaalsContact C-N 3.31Å; E791-C793 PolarHBondContact O-N 2.63Å; C793-A797 WeakPolarHBondContact O-CB 3.41Å; C793-A797 PolarHBondContact O-N 2.82Å; C793-A797 VanDerWaalsContact O-N 3.08Å
794L73.7Confident69.9Low99 Ų9985.6 Ų85.652%0.51845%0.447SS..Hα-helixtrans-75.4-35.7177.4-72.1169.5000112.1K790 E791 E792K790-L794 HydrophobicContact CG-CD1 4.12Å; K790-L794 WeakPolarHBondContact O-CB 3.44Å; K790-L794 WeakPolarHBondContact O-CD1 3.18Å; K790-L794 WeakPolarHBondContact O-CG 3.19Å; K790-L794 PolarHBondContact O-N 2.74Å; E791-L794 PolarHBondContact O-N 3.39Å; E791-L794 VanDerWaalsContact O-N 3.16Å; E792-L794 VanDerWaalsContact C-N 3.33Å
795Q67Low69.1Low146 Ų14691.3 Ų91.368%0.68248%0.477SS*.Hα-helixtrans-67.4-42.7173.9-72.4176.1100111.7E791 E792E791-Q795 WeakPolarHBondContact O-CG 3.27Å; E791-Q795 PolarHBondContact O-N 3.32Å; E792-Q795 PolarHBondContact O-N 3.15Å
796M59.4Low68.1Low67 Ų6793.4 Ų93.433%0.3349%0.494SS..Hα-helixtrans-80.1-19.2-179-72.1-154.1-105.800115.1R772 E792 G798R772-M796 PolarHBondContact NH1-SD 3.16Å; E792-M796 WeakPolarHBondContact O-CB 3.13Å; E792-M796 WeakPolarHBondContact O-CG 3.39Å; E792-M796 PolarHBondContact O-N 3.04Å; M796-G798 PolarHBondContact O-N 2.62Å
797A49.7Very low67.1Low69 Ų6991.1 Ų91.157%0.5748%0.481SS*.THydrogen-bonded Turntrans-78.9-6.2175.800000113.2C793C793-A797 WeakPolarHBondContact O-CB 3.41Å; C793-A797 PolarHBondContact O-N 2.82Å; C793-A797 VanDerWaalsContact O-N 3.08Å
798G44.3Very low66.1Low70 Ų7088.8 Ų88.872%0.72248%0.475SS*.THydrogen-bonded Turntrans-102.3-0.8179.200000115.4M796M796-G798 PolarHBondContact O-N 2.62Å
799E36.9Very low65.4Low227 Ų22791.5 Ų91.5100%1.06149%0.49SS*.  trans-95.40174.9-74.6-171.5158.900113.1

Retrieved 799 of 799 residues in 141.9 ms (Link to these results)

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