A0A096N4B2_PAPAN Loading...

Signal recognition particle receptor subunit alpha

AlphaFold DB , UniProt , Accession A0A096N4B2, Species PAPAN (Papio anubis, Olive baboon), Gene SRPRA, Length 638 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
1M67.1Low81.8Confident137 Ų13730.5 Ų30.568%0.67519%0.188SC*.  0137.10-160.9173.3-68.400107.3V21 Y78M1-V21 HydrophobicContact SD-CG2 3.83Å; M1-Y78 PolarHBondContact N-OH 3.27Å
2L78.1Confident81.3Confident5 Ų532.8 Ų32.83%0.02622%0.221CC..  trans-90.5140.6175.7-66.6179.2000110.1V68 F70 L76 V79 L82 F117 L121L2-V68 HydrophobicContact CD1-CG2 3.89Å; L2-V68 HydrophobicContact CD2-CG2 3.68Å; L2-V68 HydrophobicContact CG-CG2 4.33Å; L2-F70 HydrophobicContact CD2-CB 4.03Å; L2-L76 HydrophobicContact CD2-CD1 3.77Å; L2-V79 HydrophobicContact CD2-CG2 3.99Å; L2-L82 HydrophobicContact CD1-CD2 3.6Å; L2-F117 HydrophobicContact CD1-CZ 4.33Å; L2-L121 HydrophobicContact CD1-CD1 3.82Å; L2-L121 HydrophobicContact CG-CD1 4.33Å
3D78.9Confident81.3Confident10 Ų1033.8 Ų33.85%0.05322%0.223CC..SBendtrans-82.9-37175.6-55.9-71.5000110.5G20 G69 F70 Q71D3-G20 VanDerWaalsContact O-CA 3.23Å; D3-G20 WeakPolarHBondContact O-CA 3.47Å; D3-G20 PolarHBondContact O-N 2.88Å; D3-G69 PolarHBondContact N-O 3.27Å; D3-G69 VanDerWaalsContact N-O 3.08Å; D3-F70 VanDerWaalsContact OD2-C 3.3Å; D3-F70 WeakPolarHBondContact OD2-CA 3.34Å; D3-Q71 WeakPolarHBondContact OD1-CG 3.27Å; D3-Q71 PolarHBondContact OD1-NE2 2.95Å; D3-Q71 WeakPolarHBondContact OD2-CG 3.43Å; D3-Q71 PolarHBondContact OD2-N 3.44Å
4F85.4Confident81.5Confident3 Ų337.4 Ų37.41%0.01324%0.243CC..EExtended strand (participates in β ladder)trans-162.4165.4171.674.7-93000114.8T6 F18 C25 P28 V29 L52 L54 V67 V68 G69F4-T6 HydrophobicContact CD2-CG2 4.46Å; F4-T6 HydrophobicContact CE2-CG2 4.13Å; F4-F18 WeakPolarHBondContact CA-O 3.32Å; F4-F18 WeakPolarHBondContact CB-O 3.16Å; F4-C25 WeakPolarHBondContact CB-SG 3.49Å; F4-C25 HydrophobicContact CD1-CB 4.18Å; F4-C25 WeakPolarHBondContact CD1-SG 3.36Å; F4-C25 HydrophobicContact CD2-CB 4.21Å; F4-C25 HydrophobicContact CE1-CB 4.32Å; F4-C25 HydrophobicContact CE2-CB 4.4Å; F4-C25 HydrophobicContact CG-CB 4.09Å; F4-C25 WeakPolarHBondContact CG-SG 3.13Å; F4-C25 HydrophobicContact CZ-CB 4.44Å; F4-P28 HydrophobicContact CE1-CG 4.19Å; F4-P28 HydrophobicContact CZ-CG 4.49Å; F4-V29 HydrophobicContact CE2-CG2 3.46Å; F4-V29 VanDerWaalsContact CE2-CG2 3.46Å; F4-V29 HydrophobicContact CZ-CG2 3.53Å; F4-L52 HydrophobicContact CD1-CD2 4.12Å; F4-L52 HydrophobicContact CE1-CD2 3.6Å; F4-L54 HydrophobicContact CE1-CD2 3.93Å; F4-L54 HydrophobicContact CE2-CD2 4.44Å; F4-L54 HydrophobicContact CZ-CD2 3.44Å; F4-L54 VanDerWaalsContact CZ-CD2 3.44Å; F4-V67 HydrophobicContact CE2-CG1 4.32Å; F4-V68 WeakPolarHBondContact O-CG2 3.49Å; F4-G69 PolarHBondContact N-O 3.12Å; F4-G69 PolarHBondContact O-N 3.38Å
5F88.6Confident81.8Confident1 Ų136 Ų360%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-137.4142.6165.4-159-70.5000109.4I7 W16 C17 F18 F66 V67 V68 I83 V86 F117F5-I7 HydrophobicContact CD1-CG1 4.17Å; F5-I7 HydrophobicContact CE1-CD1 4.26Å; F5-I7 HydrophobicContact CE1-CG1 3.82Å; F5-W16 HydrophobicContact CB-CZ3 4.36Å; F5-W16 AromaticContact CD1-CZ3 3.81Å; F5-W16 HydrophobicContact CD1-CZ3 3.81Å; F5-W16 HydrophobicContact CG-CZ3 4.39Å; F5-C17 CarbonylContact O-C 3.59Å; F5-C17 WeakPolarHBondContact O-CA 3.46Å; F5-F18 HydrophobicContact CB-CB 4.3Å; F5-F18 PolarHBondContact N-O 3.46Å; F5-F18 PolarHBondContact O-N 3.27Å; F5-F66 HydrophobicContact CE1-CB 4.28Å; F5-F66 HydrophobicContact CE1-CD1 4.17Å; F5-F66 HydrophobicContact CZ-CB 4.3Å; F5-F66 HydrophobicContact CZ-CD1 4.42Å; F5-V67 CarbonylContact C-O 3.58Å; F5-V67 WeakPolarHBondContact CA-O 3.5Å; F5-V68 HydrophobicContact CD2-CB 3.63Å; F5-V68 HydrophobicContact CD2-CG2 3.71Å; F5-V68 HydrophobicContact CE2-CB 3.96Å; F5-V68 HydrophobicContact CE2-CG2 4.34Å; F5-V68 HydrophobicContact CG-CB 4.32Å; F5-I83 HydrophobicContact CE2-CG1 4.04Å; F5-I83 HydrophobicContact CZ-CG1 4.34Å; F5-V86 HydrophobicContact CE1-CG1 3.85Å; F5-V86 HydrophobicContact CZ-CB 4.17Å; F5-V86 HydrophobicContact CZ-CG1 3.73Å; F5-F117 HydrophobicContact CB-CE1 4.49Å; F5-F117 HydrophobicContact CB-CE2 3.84Å; F5-F117 HydrophobicContact CB-CZ 3.66Å; F5-F117 HydrophobicContact CD1-CE2 4.27Å; F5-F117 AromaticContact CD2-CE2 3.54Å; F5-F117 HydrophobicContact CD2-CE2 3.54Å; F5-F117 AromaticContact CD2-CZ 3.91Å; F5-F117 HydrophobicContact CD2-CZ 3.91Å; F5-F117 HydrophobicContact CE2-CE2 4.1Å; F5-F117 AromaticContact CG-CE2 3.64Å; F5-F117 HydrophobicContact CG-CE2 3.64Å; F5-F117 AromaticContact CG-CZ 3.96Å; F5-F117 HydrophobicContact CG-CZ 3.96Å
6T89.3Confident82.2Confident13 Ų1335 Ų358%0.0822%0.223CC..EExtended strand (participates in β ladder)trans-141.3146.9174.4-172.70000111.9F4 F8 V29 V67F4-T6 HydrophobicContact CD2-CG2 4.46Å; F4-T6 HydrophobicContact CE2-CG2 4.13Å; T6-F8 HydrophobicContact CG2-CD1 3.97Å; T6-F8 HydrophobicContact CG2-CE1 3.98Å; T6-V29 HydrophobicContact CG2-CG1 4.47Å; T6-V29 HydrophobicContact CG2-CG2 4.05Å; T6-V67 HydrophobicContact CG2-CB 3.85Å; T6-V67 PolarHBondContact N-O 2.83Å; T6-V67 PolarHBondContact O-N 3.45Å
7I89.3Confident82.5Confident0 Ų037 Ų370%024%0.237CC..EExtended strand (participates in β ladder)trans-125.2120.8176.7-56174.5000107.5F5 L15 W16 V65 F66 V86 F90F5-I7 HydrophobicContact CD1-CG1 4.17Å; F5-I7 HydrophobicContact CE1-CD1 4.26Å; F5-I7 HydrophobicContact CE1-CG1 3.82Å; I7-L15 HydrophobicContact CG2-CD1 4.41Å; I7-L15 PolarHBondContact O-N 2.68Å; I7-W16 HydrophobicContact CB-CE3 4.48Å; I7-W16 HydrophobicContact CD1-CE3 3.66Å; I7-W16 HydrophobicContact CD1-CZ3 4.1Å; I7-W16 HydrophobicContact CG1-CE3 3.87Å; I7-W16 HydrophobicContact CG1-CZ3 4.32Å; I7-W16 PolarHBondContact N-O 3.5Å; I7-W16 PolarHBondContact O-N 2.86Å; I7-V65 WeakPolarHBondContact CA-O 3.43Å; I7-F66 HydrophobicContact CD1-CD1 3.83Å; I7-F66 HydrophobicContact CD1-CE1 3.7Å; I7-F66 HydrophobicContact CG1-CD1 3.7Å; I7-F66 HydrophobicContact CG1-CE1 3.97Å; I7-F66 HydrophobicContact CG2-CD1 4.24Å; I7-F66 HydrophobicContact CG2-CE1 3.98Å; I7-F66 HydrophobicContact CG2-CZ 4.3Å; I7-V86 HydrophobicContact CD1-CG1 4.03Å; I7-F90 HydrophobicContact CD1-CB 4.41Å; I7-F90 HydrophobicContact CD1-CD2 3.43Å; I7-F90 VanDerWaalsContact CD1-CD2 3.43Å; I7-F90 HydrophobicContact CD1-CE2 3.71Å; I7-F90 HydrophobicContact CD1-CG 3.88Å; I7-F90 HydrophobicContact CD1-CZ 4.37Å; I7-F90 HydrophobicContact CG2-CD1 4.34Å; I7-F90 HydrophobicContact CG2-CE1 3.96Å; I7-F90 HydrophobicContact CG2-CE2 4.35Å; I7-F90 HydrophobicContact CG2-CZ 3.97Å
8F87.4Confident82.6Confident6 Ų636.2 Ų36.23%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-140.7153.4179.858.1-90.8000111.5T6 L13 V14 V29 I33 L37 L64 V65 V67T6-F8 HydrophobicContact CG2-CD1 3.97Å; T6-F8 HydrophobicContact CG2-CE1 3.98Å; F8-L13 CarbonylContact C-O 3.59Å; F8-L13 VanDerWaalsContact CA-O 3.24Å; F8-L13 WeakPolarHBondContact CA-O 3.28Å; F8-L13 WeakPolarHBondContact CB-O 3.46Å; F8-V14 HydrophobicContact CB-CG2 4.25Å; F8-V29 HydrophobicContact CE1-CG1 3.93Å; F8-V29 HydrophobicContact CZ-CG1 4.27Å; F8-I33 HydrophobicContact CE2-CD1 3.93Å; F8-I33 HydrophobicContact CE2-CG1 4.05Å; F8-I33 HydrophobicContact CZ-CD1 3.9Å; F8-I33 HydrophobicContact CZ-CG1 3.9Å; F8-L37 HydrophobicContact CE2-CD2 3.98Å; F8-L64 CarbonylContact O-C 3.52Å; F8-V65 HydrophobicContact CD1-CB 4.5Å; F8-V65 HydrophobicContact CD2-CB 3.97Å; F8-V65 HydrophobicContact CD2-CG2 4.17Å; F8-V65 HydrophobicContact CE1-CB 4.25Å; F8-V65 HydrophobicContact CE1-CG1 4.15Å; F8-V65 HydrophobicContact CE2-CB 3.68Å; F8-V65 HydrophobicContact CE2-CG1 3.94Å; F8-V65 HydrophobicContact CE2-CG2 3.86Å; F8-V65 HydrophobicContact CG-CB 4.37Å; F8-V65 HydrophobicContact CZ-CB 3.83Å; F8-V65 HydrophobicContact CZ-CG1 3.64Å; F8-V65 HydrophobicContact CZ-CG2 4.43Å; F8-V65 PolarHBondContact N-O 3.35Å; F8-V65 PolarHBondContact O-N 2.86Å; F8-V67 HydrophobicContact CE1-CB 4.35Å; F8-V67 HydrophobicContact CE1-CG2 3.56Å; F8-V67 HydrophobicContact CZ-CG2 3.92Å
9S85.8Confident82.5Confident11 Ų1138.5 Ų38.58%0.07724%0.237CC..EExtended strand (participates in β ladder)trans-76.3156.3173.675.10000111G11 G12 L13 E63S9-G11 PolarHBondContact O-N 3.22Å; S9-G11 VanDerWaalsContact O-N 3.1Å; S9-G11 PolarHBondContact OG-N 3.03Å; S9-G12 PolarHBondContact O-N 3.09Å; S9-L13 PolarHBondContact N-O 2.92Å; S9-L13 WeakPolarHBondContact OG-CB 3.3Å; S9-L13 PolarHBondContact OG-N 3.48Å; S9-E63 CarbonylContact C-O 3.52Å; S9-E63 WeakPolarHBondContact CA-O 3.26Å
10K77.3Confident82Confident73 Ų7338.2 Ų38.232%0.31724%0.241SC..THydrogen-bonded Turntrans-59.2-19.9172.2-70.4-172.1-178.8-172.50113.3G12 N60 E63 V65K10-G12 PolarHBondContact O-N 3.02Å; K10-N60 WeakPolarHBondContact CE-OD1 3.46Å; K10-N60 PolarHBondContact NZ-OD1 2.74Å; K10-E63 HydrophobicContact CB-CB 4.26Å; K10-E63 HydrophobicContact CD-CB 4.06Å; K10-E63 HydrophobicContact CD-CG 4.47Å; K10-E63 HydrophobicContact CG-CB 4.17Å; K10-E63 PolarHBondContact N-O 2.73Å; K10-V65 HydrophobicContact CG-CG2 4.06Å
11G72.4Confident81Confident77 Ų7742 Ų4279%0.79426%0.264SS*.THydrogen-bonded Turntrans-72.90.3169.800000114.7S9S9-G11 PolarHBondContact O-N 3.22Å; S9-G11 VanDerWaalsContact O-N 3.1Å; S9-G11 PolarHBondContact OG-N 3.03Å
12G75.9Confident80.6Confident57 Ų5737.5 Ų37.559%0.58825%0.246SC*.SBendtrans868.7178.200000115S9 K10S9-G12 PolarHBondContact O-N 3.09Å; K10-G12 PolarHBondContact O-N 3.02Å
13L80.9Confident79.6Confident46 Ų4645 Ų4524%0.24129%0.287CS..  trans-88.9113.9-178.5-159.6175.3000109.6F8 S9 L15 L106 L107F8-L13 CarbonylContact C-O 3.59Å; F8-L13 VanDerWaalsContact CA-O 3.24Å; F8-L13 WeakPolarHBondContact CA-O 3.28Å; F8-L13 WeakPolarHBondContact CB-O 3.46Å; S9-L13 PolarHBondContact N-O 2.92Å; S9-L13 WeakPolarHBondContact OG-CB 3.3Å; S9-L13 PolarHBondContact OG-N 3.48Å; L13-L15 HydrophobicContact CD2-CD2 3.98Å; L13-L15 PolarHBondContact O-N 2.92Å; L13-L106 HydrophobicContact CD1-CB 3.9Å; L13-L107 HydrophobicContact CD1-CD2 3.81Å; L13-L107 HydrophobicContact CD1-CG 3.87Å; L13-L107 HydrophobicContact CG-CD2 4.41Å
14V84.9Confident78.6Confident84 Ų8448.6 Ų48.651%0.50931%0.312SS..EExtended strand (participates in β ladder)trans-71.3114.1175.2-178.30000109.4F8F8-V14 HydrophobicContact CB-CG2 4.25Å
15L85.2Confident77.5Confident17 Ų1749.3 Ų49.39%0.08932%0.317CS..EExtended strand (participates in β ladder)trans-82.7-43.5179-57.3177.5000110.6I7 L13 L64 F90 L106 F111I7-L15 HydrophobicContact CG2-CD1 4.41Å; I7-L15 PolarHBondContact O-N 2.68Å; L13-L15 HydrophobicContact CD2-CD2 3.98Å; L13-L15 PolarHBondContact O-N 2.92Å; L15-L64 HydrophobicContact CD1-CD2 3.59Å; L15-F90 HydrophobicContact CB-CZ 4.09Å; L15-F90 HydrophobicContact CD1-CE1 4.05Å; L15-F90 HydrophobicContact CD1-CZ 4.13Å; L15-L106 HydrophobicContact CD2-CB 4.09Å; L15-L106 HydrophobicContact CD2-CD2 4.04Å; L15-L106 HydrophobicContact CD2-CG 4.45Å; L15-F111 HydrophobicContact CB-CD1 4.47Å; L15-F111 HydrophobicContact CB-CD2 4.12Å; L15-F111 HydrophobicContact CB-CE2 4.41Å; L15-F111 HydrophobicContact CB-CG 4.18Å; L15-F111 HydrophobicContact CD1-CE1 4.45Å; L15-F111 HydrophobicContact CD1-CZ 4.5Å; L15-F111 HydrophobicContact CD2-CD2 4.2Å; L15-F111 HydrophobicContact CD2-CE2 3.67Å; L15-F111 HydrophobicContact CD2-CZ 3.87Å; L15-F111 WeakPolarHBondContact O-CB 3.35Å
16W88.9Confident76.3Confident20 Ų2054.2 Ų54.28%0.07635%0.347CS..EExtended strand (participates in β ladder)trans-158.7148.6-178.8173.386000111.3F5 I7 F18 F90 F111 F113 F117F5-W16 HydrophobicContact CB-CZ3 4.36Å; F5-W16 AromaticContact CD1-CZ3 3.81Å; F5-W16 HydrophobicContact CD1-CZ3 3.81Å; F5-W16 HydrophobicContact CG-CZ3 4.39Å; I7-W16 HydrophobicContact CB-CE3 4.48Å; I7-W16 HydrophobicContact CD1-CE3 3.66Å; I7-W16 HydrophobicContact CD1-CZ3 4.1Å; I7-W16 HydrophobicContact CG1-CE3 3.87Å; I7-W16 HydrophobicContact CG1-CZ3 4.32Å; I7-W16 PolarHBondContact N-O 3.5Å; I7-W16 PolarHBondContact O-N 2.86Å; W16-F18 HydrophobicContact CH2-CB 3.36Å; W16-F18 HydrophobicContact CH2-CG 4.49Å; W16-F18 HydrophobicContact CZ2-CB 3.6Å; W16-F18 HydrophobicContact CZ3-CB 4.22Å; W16-F90 HydrophobicContact CB-CE2 4.26Å; W16-F111 HydrophobicContact CB-CB 4.4Å; W16-F113 HydrophobicContact CD2-CB 4.01Å; W16-F113 HydrophobicContact CD2-CD1 4.45Å; W16-F113 HydrophobicContact CE3-CD1 4.42Å; W16-F113 HydrophobicContact CG-CB 3.98Å; W16-F113 HydrophobicContact CH2-CD1 4.42Å; W16-F113 HydrophobicContact CZ2-CD1 4.44Å; W16-F113 HydrophobicContact CZ3-CD1 4.4Å; W16-F117 HydrophobicContact CH2-CB 3.55Å; W16-F117 AromaticContact CH2-CD1 3.72Å; W16-F117 HydrophobicContact CH2-CD1 3.72Å; W16-F117 AromaticContact CH2-CD2 3.5Å; W16-F117 HydrophobicContact CH2-CD2 3.5Å; W16-F117 HydrophobicContact CH2-CE1 4.28Å; W16-F117 HydrophobicContact CH2-CE2 4.1Å; W16-F117 AromaticContact CH2-CG 3.29Å; W16-F117 HydrophobicContact CH2-CG 3.29Å; W16-F117 HydrophobicContact CH2-CZ 4.45Å; W16-F117 HydrophobicContact CZ2-CB 3.63Å; W16-F117 HydrophobicContact CZ2-CD1 4.16Å; W16-F117 HydrophobicContact CZ2-CD2 4.44Å; W16-F117 AromaticContact CZ2-CG 3.84Å; W16-F117 HydrophobicContact CZ2-CG 3.84Å; W16-F117 HydrophobicContact CZ3-CD2 4.07Å; W16-F117 HydrophobicContact CZ3-CG 4.28Å
17C87.4Confident75.4Confident69 Ų6955.5 Ų55.547%0.46636%0.364SS..EExtended strand (participates in β ladder)trans-143.2145.3173.459.30000112.2F5F5-C17 CarbonylContact O-C 3.59Å; F5-C17 WeakPolarHBondContact O-CA 3.46Å
18F84.8Confident74.3Confident23 Ų2356.4 Ų56.410%0.10137%0.37CS..EExtended strand (participates in β ladder)trans-111.3121.3168.8167.8-92.4000109.4F4 F5 W16 F117 L118 L121F4-F18 WeakPolarHBondContact CA-O 3.32Å; F4-F18 WeakPolarHBondContact CB-O 3.16Å; F5-F18 HydrophobicContact CB-CB 4.3Å; F5-F18 PolarHBondContact N-O 3.46Å; F5-F18 PolarHBondContact O-N 3.27Å; W16-F18 HydrophobicContact CH2-CB 3.36Å; W16-F18 HydrophobicContact CH2-CG 4.49Å; W16-F18 HydrophobicContact CZ2-CB 3.6Å; W16-F18 HydrophobicContact CZ3-CB 4.22Å; F18-F117 HydrophobicContact CB-CD1 3.99Å; F18-F117 HydrophobicContact CB-CE1 3.85Å; F18-F117 HydrophobicContact CB-CZ 4.47Å; F18-F117 HydrophobicContact CD1-CD1 4.33Å; F18-F117 AromaticContact CD1-CE1 3.51Å; F18-F117 HydrophobicContact CD1-CE1 3.51Å; F18-F117 HydrophobicContact CD1-CZ 4.16Å; F18-F117 AromaticContact CD2-CD1 3.78Å; F18-F117 HydrophobicContact CD2-CD1 3.78Å; F18-F117 AromaticContact CD2-CE1 3.77Å; F18-F117 HydrophobicContact CD2-CE1 3.77Å; F18-F117 AromaticContact CE1-CE1 3.96Å; F18-F117 HydrophobicContact CE1-CE1 3.96Å; F18-F117 HydrophobicContact CE2-CD1 4.36Å; F18-F117 HydrophobicContact CE2-CE1 4.19Å; F18-F117 AromaticContact CG-CD1 3.77Å; F18-F117 HydrophobicContact CG-CD1 3.77Å; F18-F117 AromaticContact CG-CE1 3.41Å; F18-F117 HydrophobicContact CG-CE1 3.41Å; F18-F117 VanDerWaalsContact CG-CE1 3.41Å; F18-F117 HydrophobicContact CG-CZ 4.3Å; F18-F117 HydrophobicContact CZ-CE1 4.28Å; F18-L118 HydrophobicContact CE2-CD2 3.85Å; F18-L121 HydrophobicContact CZ-CD2 4.36Å
19Q80.6Confident73.6Confident80 Ų8057 Ų5737%0.37437%0.373SS..EExtended strand (participates in β ladder)trans-95.8129172.5-151.7708.300109.3S22 C25Q19-S22 WeakPolarHBondContact CG-O 3.31Å; Q19-S22 PolarHBondContact NE2-O 3.23Å; Q19-C25 VanDerWaalsContact CD-SG 3.58Å; Q19-C25 PolarHBondContact NE2-SG 3.4Å; Q19-C25 PolarHBondContact OE1-SG 2.77Å; Q19-C25 VanDerWaalsContact OE1-SG 3.35Å
20G72.5Confident73Confident31 Ų3160.1 Ų60.132%0.3239%0.389SS..  trans-90.4-116.8173.800000111.9D3D3-G20 VanDerWaalsContact O-CA 3.23Å; D3-G20 WeakPolarHBondContact O-CA 3.47Å; D3-G20 PolarHBondContact O-N 2.88Å
21V60.9Low72.4Confident119 Ų11957.6 Ų57.672%0.72138%0.382SS*.SBendtrans-103.710.3-170.1-162.60000112.9M1M1-V21 HydrophobicContact SD-CG2 3.83Å
22S57.9Low72.3Confident42 Ų4254.2 Ų54.229%0.29435%0.346SS..  trans-134148.5-179.359.10000111.6Q19Q19-S22 WeakPolarHBondContact CG-O 3.31Å; Q19-S22 PolarHBondContact NE2-O 3.23Å
23D57.5Low72.1Confident164 Ų16453.3 Ų53.388%0.87733%0.327SS*.SBendtrans-90.6-6.3-166.7-61.9-51.2000115.7
24S57.9Low71.4Confident85 Ų8559.4 Ų59.459%0.59435%0.347SS*.  trans-136.573.5-161.754.70000116.1
25C61.4Low70.2Confident17 Ų1756.9 Ų56.912%0.11533%0.333CS..  trans-80.3-16.7177.5-650000115.3F4 Q19 G27 P28 V29F4-C25 WeakPolarHBondContact CB-SG 3.49Å; F4-C25 HydrophobicContact CD1-CB 4.18Å; F4-C25 WeakPolarHBondContact CD1-SG 3.36Å; F4-C25 HydrophobicContact CD2-CB 4.21Å; F4-C25 HydrophobicContact CE1-CB 4.32Å; F4-C25 HydrophobicContact CE2-CB 4.4Å; F4-C25 HydrophobicContact CG-CB 4.09Å; F4-C25 WeakPolarHBondContact CG-SG 3.13Å; F4-C25 HydrophobicContact CZ-CB 4.44Å; Q19-C25 VanDerWaalsContact CD-SG 3.58Å; Q19-C25 PolarHBondContact NE2-SG 3.4Å; Q19-C25 PolarHBondContact OE1-SG 2.77Å; Q19-C25 VanDerWaalsContact OE1-SG 3.35Å; C25-G27 PolarHBondContact O-N 3.47Å; C25-P28 WeakPolarHBondContact O-CD 3.45Å; C25-P28 WeakPolarHBondContact O-CG 3.47Å; C25-V29 WeakPolarHBondContact O-CB 3.23Å; C25-V29 VanDerWaalsContact O-CG2 3.29Å; C25-V29 WeakPolarHBondContact O-CG2 3.44Å; C25-V29 PolarHBondContact O-N 2.88Å
26T65Low69.2Low104 Ų10457.2 Ų57.264%0.63834%0.336SS*.Hα-helixtrans-63.2-38.4-174530000112.7N30T26-N30 WeakPolarHBondContact O-CB 3.38Å; T26-N30 PolarHBondContact O-N 3.03Å; T26-N30 PolarHBondContact O-ND2 3.44Å
27G69.3Low68Low41 Ų4158.3 Ų58.342%0.42334%0.343SS..Hα-helixtrans-57.7-65.8175.700000113.5C25 V29 N30 A31C25-G27 PolarHBondContact O-N 3.47Å; G27-V29 VanDerWaalsContact C-N 3.34Å; G27-V29 PolarHBondContact O-N 3.34Å; G27-N30 PolarHBondContact O-N 2.95Å; G27-A31 PolarHBondContact O-N 2.7Å
28P67.5Low66.7Low19 Ų1959.4 Ų59.412%0.12334%0.344CS..Hα-helixtrans-62.4-34.6-177.320.6-31.6000113.9F4 C25 A31 L32 L54F4-P28 HydrophobicContact CE1-CG 4.19Å; F4-P28 HydrophobicContact CZ-CG 4.49Å; C25-P28 WeakPolarHBondContact O-CD 3.45Å; C25-P28 WeakPolarHBondContact O-CG 3.47Å; P28-A31 PolarHBondContact O-N 2.8Å; P28-L32 PolarHBondContact O-N 2.99Å; P28-L54 HydrophobicContact CB-CD1 3.92Å; P28-L54 HydrophobicContact CB-CD2 4.24Å
29V71.8Confident65.2Low17 Ų1761.5 Ų61.510%0.10335%0.354CS..Hα-helixtrans-68.7-43.4175.8176.20000111.3F4 T6 F8 C25 G27 A31 L32 I33F4-V29 HydrophobicContact CE2-CG2 3.46Å; F4-V29 VanDerWaalsContact CE2-CG2 3.46Å; F4-V29 HydrophobicContact CZ-CG2 3.53Å; T6-V29 HydrophobicContact CG2-CG1 4.47Å; T6-V29 HydrophobicContact CG2-CG2 4.05Å; F8-V29 HydrophobicContact CE1-CG1 3.93Å; F8-V29 HydrophobicContact CZ-CG1 4.27Å; C25-V29 WeakPolarHBondContact O-CB 3.23Å; C25-V29 VanDerWaalsContact O-CG2 3.29Å; C25-V29 WeakPolarHBondContact O-CG2 3.44Å; C25-V29 PolarHBondContact O-N 2.88Å; G27-V29 VanDerWaalsContact C-N 3.34Å; G27-V29 PolarHBondContact O-N 3.34Å; V29-A31 VanDerWaalsContact C-N 3.27Å; V29-A31 PolarHBondContact O-N 3.32Å; V29-L32 PolarHBondContact O-N 2.89Å; V29-I33 HydrophobicContact CG1-CD1 3.9Å; V29-I33 HydrophobicContact CG1-CG1 4.47Å; V29-I33 WeakPolarHBondContact O-CG1 3.44Å; V29-I33 PolarHBondContact O-N 3.25Å
30N72.3Confident64.1Low78 Ų7860.8 Ų60.842%0.41735%0.35SS..Hα-helixtrans-64.2-32.6174.8-77.5-40.1000112.5T26 G27 R34T26-N30 WeakPolarHBondContact O-CB 3.38Å; T26-N30 PolarHBondContact O-N 3.03Å; T26-N30 PolarHBondContact O-ND2 3.44Å; G27-N30 PolarHBondContact O-N 2.95Å; N30-R34 WeakPolarHBondContact O-CD 3.46Å; N30-R34 VanDerWaalsContact O-CG 3.25Å; N30-R34 WeakPolarHBondContact O-CG 3.45Å; N30-R34 PolarHBondContact O-N 3.21Å; N30-R34 VanDerWaalsContact O-N 3.15Å
31A65.9Low63.3Low20 Ų2064 Ų6417%0.16535%0.353CS..Hα-helixtrans-63.6-49.4172.500000111.4G27 P28 V29 I33 R34 S35 F47 H49G27-A31 PolarHBondContact O-N 2.7Å; P28-A31 PolarHBondContact O-N 2.8Å; V29-A31 VanDerWaalsContact C-N 3.27Å; V29-A31 PolarHBondContact O-N 3.32Å; A31-I33 PolarHBondContact O-N 3.33Å; A31-R34 PolarHBondContact O-N 3.03Å; A31-S35 WeakPolarHBondContact O-CB 3.25Å; A31-S35 PolarHBondContact O-N 3.37Å; A31-S35 PolarHBondContact O-OG 3.39Å; A31-F47 HydrophobicContact CB-CE1 4.13Å; A31-H49 VanDerWaalsContact CB-CD2 3.45Å; A31-H49 WeakPolarHBondContact CB-CD2 3.29Å
32L70.8Confident62.8Low6 Ų659.4 Ų59.43%0.03133%0.329CS..Hα-helixtrans-58.4-42.7176176.569.3000112.7P28 V29 R34 S35 V36 L37 F47 L54 Y56 V67P28-L32 PolarHBondContact O-N 2.99Å; V29-L32 PolarHBondContact O-N 2.89Å; L32-R34 VanDerWaalsContact C-N 3.32Å; L32-R34 PolarHBondContact O-N 3.5Å; L32-S35 PolarHBondContact O-N 2.65Å; L32-V36 HydrophobicContact CD1-CB 3.93Å; L32-V36 HydrophobicContact CD1-CG2 3.8Å; L32-V36 PolarHBondContact O-N 3.14Å; L32-L37 PolarHBondContact O-N 3.36Å; L32-F47 HydrophobicContact CB-CD1 4.01Å; L32-F47 HydrophobicContact CB-CE1 4.38Å; L32-F47 HydrophobicContact CD1-CB 3.67Å; L32-F47 HydrophobicContact CD1-CD1 3.83Å; L32-F47 HydrophobicContact CD1-CG 3.97Å; L32-L54 HydrophobicContact CB-CD1 4.43Å; L32-Y56 HydrophobicContact CD1-CD1 4.02Å; L32-Y56 HydrophobicContact CD1-CE1 4.42Å; L32-V67 HydrophobicContact CD2-CB 4.24Å; L32-V67 HydrophobicContact CD2-CG1 3.48Å; L32-V67 VanDerWaalsContact CD2-CG1 3.48Å; L32-V67 HydrophobicContact CD2-CG2 3.66Å
33I70.8Confident62.4Low38 Ų3859.9 Ų59.920%0.19534%0.341CS..Hα-helixtrans-60.4-44.2177.5-69.6166.3000110.2F8 V29 A31 L37 L38F8-I33 HydrophobicContact CE2-CD1 3.93Å; F8-I33 HydrophobicContact CE2-CG1 4.05Å; F8-I33 HydrophobicContact CZ-CD1 3.9Å; F8-I33 HydrophobicContact CZ-CG1 3.9Å; V29-I33 HydrophobicContact CG1-CD1 3.9Å; V29-I33 HydrophobicContact CG1-CG1 4.47Å; V29-I33 WeakPolarHBondContact O-CG1 3.44Å; V29-I33 PolarHBondContact O-N 3.25Å; A31-I33 PolarHBondContact O-N 3.33Å; I33-L37 HydrophobicContact CG1-CD2 4.33Å; I33-L37 HydrophobicContact CG2-CD2 4.5Å; I33-L37 PolarHBondContact O-N 3.29Å; I33-L38 HydrophobicContact CG2-CD1 4.38Å; I33-L38 HydrophobicContact CG2-CG 4.21Å; I33-L38 WeakPolarHBondContact O-CB 3.24Å; I33-L38 WeakPolarHBondContact O-CG 3.48Å; I33-L38 PolarHBondContact O-N 2.8Å
34R65.6Low62.3Low173 Ų17357.9 Ų57.965%0.65333%0.33SS*.Hα-helixtrans-72.6-34.4-179.6-69.2170.7-176.6-169.11.6114.2N30 A31 L32 Q39N30-R34 WeakPolarHBondContact O-CD 3.46Å; N30-R34 VanDerWaalsContact O-CG 3.25Å; N30-R34 WeakPolarHBondContact O-CG 3.45Å; N30-R34 PolarHBondContact O-N 3.21Å; N30-R34 VanDerWaalsContact O-N 3.15Å; A31-R34 PolarHBondContact O-N 3.03Å; L32-R34 VanDerWaalsContact C-N 3.32Å; L32-R34 PolarHBondContact O-N 3.5Å; R34-Q39 PolarHBondContact O-NE2 2.92Å; R34-Q39 VanDerWaalsContact O-NE2 3.13Å
35S59.8Low62.8Low31 Ų3158.8 Ų58.822%0.21733%0.328CS..Hα-helixtrans-90.2-34.5-174.6620000113.9A31 L32 Q39 F47A31-S35 WeakPolarHBondContact O-CB 3.25Å; A31-S35 PolarHBondContact O-N 3.37Å; A31-S35 PolarHBondContact O-OG 3.39Å; L32-S35 PolarHBondContact O-N 2.65Å; S35-Q39 VanDerWaalsContact O-CD 3.22Å; S35-Q39 WeakPolarHBondContact O-CG 3.35Å; S35-Q39 PolarHBondContact O-OE1 3.3Å; S35-F47 VanDerWaalsContact OG-CE2 3.26Å; S35-F47 WeakPolarHBondContact OG-CE2 3.44Å; S35-F47 WeakPolarHBondContact OG-CZ 3.05Å
36V64.4Low63.3Low25 Ų2560.7 Ų60.715%0.15234%0.342CS..THydrogen-bonded Turntrans-115.9-55.3-173.6-179.90000111.2L32 L38 Q39 E40 F47 Y56L32-V36 HydrophobicContact CD1-CB 3.93Å; L32-V36 HydrophobicContact CD1-CG2 3.8Å; L32-V36 PolarHBondContact O-N 3.14Å; V36-L38 PolarHBondContact O-N 3.27Å; V36-Q39 PolarHBondContact O-N 2.76Å; V36-E40 PolarHBondContact O-N 3.34Å; V36-F47 HydrophobicContact CG2-CB 4.34Å; V36-F47 HydrophobicContact CG2-CD2 4.27Å; V36-F47 HydrophobicContact CG2-CG 4.34Å; V36-Y56 HydrophobicContact CG1-CE1 3.84Å; V36-Y56 HydrophobicContact CG1-CE2 4.28Å; V36-Y56 WeakPolarHBondContact CG1-OH 3.38Å
37L64.6Low63.7Low43 Ų4358 Ų5823%0.22532%0.321CS..G310 helixtrans-68-42.3-168.7-15580.4000112.8F8 L32 I33 Q39 L58 V65F8-L37 HydrophobicContact CE2-CD2 3.98Å; L32-L37 PolarHBondContact O-N 3.36Å; I33-L37 HydrophobicContact CG1-CD2 4.33Å; I33-L37 HydrophobicContact CG2-CD2 4.5Å; I33-L37 PolarHBondContact O-N 3.29Å; L37-Q39 VanDerWaalsContact C-N 3.31Å; L37-L58 HydrophobicContact CD1-CD2 3.65Å; L37-V65 HydrophobicContact CD1-CG1 4.03Å; L37-V65 HydrophobicContact CD1-CG2 3.83Å; L37-V65 HydrophobicContact CD2-CG2 4.06Å
38L59.3Low63.9Low92 Ų9259.2 Ų59.248%0.48232%0.321SS..G310 helixtrans-78.1-11176.7-67.9179.5000114I33 V36 Q395I33-L38 HydrophobicContact CG2-CD1 4.38Å; I33-L38 HydrophobicContact CG2-CG 4.21Å; I33-L38 WeakPolarHBondContact O-CB 3.24Å; I33-L38 WeakPolarHBondContact O-CG 3.48Å; I33-L38 PolarHBondContact O-N 2.8Å; V36-L38 PolarHBondContact O-N 3.27Å; L38-Q395 PolarHBondContact O-NE2 2.97Å
39Q53.4Low64.1Low66 Ų6660.9 Ų60.931%0.30833%0.327SS..G310 helixtrans-103.1-4.5-177.3-56.7-166.116.300113.5R34 S35 V36 L37 R41R34-Q39 PolarHBondContact O-NE2 2.92Å; R34-Q39 VanDerWaalsContact O-NE2 3.13Å; S35-Q39 VanDerWaalsContact O-CD 3.22Å; S35-Q39 WeakPolarHBondContact O-CG 3.35Å; S35-Q39 PolarHBondContact O-OE1 3.3Å; V36-Q39 PolarHBondContact O-N 2.76Å; L37-Q39 VanDerWaalsContact C-N 3.31Å; Q39-R41 HydrophobicContact CB-CG 3.97Å; Q39-R41 PolarHBondContact O-N 2.88Å
40E58.6Low64.3Low65 Ų6567.9 Ų67.930%0.30436%0.358SS..THydrogen-bonded Turntrans47.526.3-175-70.9-158.5155.400114.9V36 G42 K369 S392 Q395V36-E40 PolarHBondContact O-N 3.34Å; E40-G42 VanDerWaalsContact C-N 3.29Å; E40-G42 PolarHBondContact O-N 3.41Å; E40-K369 VanDerWaalsContact OE1-CE 3.25Å; E40-K369 WeakPolarHBondContact OE1-CE 3.41Å; E40-K369 IonicContact OE1-NZ 3.61Å; E40-K369 PolarHBondContact OE1-NZ 2.88Å; E40-K369 IonicContact OE2-NZ 3.85Å; E40-K369 PolarHBondContact OE2-NZ 3.34Å; E40-S392 PolarHBondContact OE2-OG 3.36Å; E40-Q395 PolarHBondContact OE2-OE1 2.89Å
41R54.9Low64.4Low100 Ų10067.6 Ų67.638%0.37737%0.367SS..  trans-74.175.1-177.9-75177.3167.4-136.1-5.5111.7Q39 G43 Y605 I606 S608Q39-R41 HydrophobicContact CB-CG 3.97Å; Q39-R41 PolarHBondContact O-N 2.88Å; R41-G43 PolarHBondContact O-N 2.91Å; R41-Y605 PolarHBondContact NH2-O 2.7Å; R41-I606 PolarHBondContact NH2-O 3.15Å; R41-I606 VanDerWaalsContact NH2-O 3.09Å; R41-S608 PolarHBondContact NH2-OG 3.35Å
42G50.4Low64.9Low21 Ų2168.2 Ų68.222%0.21637%0.367CS..THydrogen-bonded Turntrans-70.188.9175.300000112.2E40 S365E40-G42 VanDerWaalsContact C-N 3.29Å; E40-G42 PolarHBondContact O-N 3.41Å; G42-S365 WeakPolarHBondContact CA-OG 3.24Å; G42-S365 PolarHBondContact O-OG 3.13Å
43G48.7Very low65.4Low52 Ų5269 Ų6954%0.53637%0.372SS..THydrogen-bonded Turntrans-150.1-26.1178.300000116.6R41R41-G43 PolarHBondContact O-N 2.91Å
44N56.5Low66Low122 Ų12267.1 Ų67.165%0.65236%0.363SS*.  trans-153.6127.7173.8-86.5-72.4000111.1S46 Y56N44-S46 PolarHBondContact O-N 3.18Å; N44-Y56 PolarHBondContact O-OH 3.42Å; N44-Y56 VanDerWaalsContact O-OH 3.12Å
45N68.8Low66.9Low104 Ų10461 Ų6156%0.55634%0.341SS*.SBendtrans-74.922.5178.5-68.1-11000113.9K55 Y56N45-K55 WeakPolarHBondContact O-CA 3.42Å; N45-Y56 PolarHBondContact O-N 2.88Å
46S71.1Confident68.1Low57 Ų5760.1 Ų60.140%0.39933%0.333SS..EExtended strand (participates in β ladder)trans-139.5133.8-178.258.10000111.6N44 L54N44-S46 PolarHBondContact O-N 3.18Å; S46-L54 CarbonylContact C-O 3.6Å; S46-L54 WeakPolarHBondContact CA-O 3.46Å
47F74.1Confident69.2Low47 Ų4761.6 Ų61.621%0.20634%0.337CS..EExtended strand (participates in β ladder)trans-130.7140.6177.6176.2-116.6000107.8A31 L32 S35 V36 H49 L54A31-F47 HydrophobicContact CB-CE1 4.13Å; L32-F47 HydrophobicContact CB-CD1 4.01Å; L32-F47 HydrophobicContact CB-CE1 4.38Å; L32-F47 HydrophobicContact CD1-CB 3.67Å; L32-F47 HydrophobicContact CD1-CD1 3.83Å; L32-F47 HydrophobicContact CD1-CG 3.97Å; S35-F47 VanDerWaalsContact OG-CE2 3.26Å; S35-F47 WeakPolarHBondContact OG-CE2 3.44Å; S35-F47 WeakPolarHBondContact OG-CZ 3.05Å; V36-F47 HydrophobicContact CG2-CB 4.34Å; V36-F47 HydrophobicContact CG2-CD2 4.27Å; V36-F47 HydrophobicContact CG2-CG 4.34Å; F47-H49 HydrophobicContact CE1-CB 4.18Å; F47-L54 HydrophobicContact CB-CB 4.48Å; F47-L54 HydrophobicContact CD1-CD1 3.73Å; F47-L54 HydrophobicContact CE1-CD1 4.23Å; F47-L54 PolarHBondContact N-O 3.39Å; F47-L54 WeakPolarHBondContact O-CA 3.37Å; F47-L54 WeakPolarHBondContact O-CB 3.41Å; F47-L54 PolarHBondContact O-N 2.82Å; F47-L54 VanDerWaalsContact O-O 3.14Å
48T73.7Confident70.1Confident68 Ų6862.4 Ų62.442%0.41734%0.341SS..EExtended strand (participates in β ladder)trans-115.6126.3179.6-53.50000109.3K72T48-K72 HydrophobicContact CG2-CD 3.84Å
49H69.9Low71.3Confident54 Ų5458.4 Ų58.425%0.2532%0.321CS..EExtended strand (participates in β ladder)trans-125.2116.9175.5-164.5-83.8000108.9A31 F47 A51 L52 L54A31-H49 VanDerWaalsContact CB-CD2 3.45Å; A31-H49 WeakPolarHBondContact CB-CD2 3.29Å; F47-H49 HydrophobicContact CE1-CB 4.18Å; H49-A51 PolarHBondContact O-N 3.46Å; H49-A51 VanDerWaalsContact O-N 3.09Å; H49-L52 PolarHBondContact N-O 3.33Å; H49-L52 PolarHBondContact O-N 3.07Å; H49-L54 HydrophobicContact CB-CD1 4.15Å
50E77.1Confident72.5Confident163 Ų16356 Ų5676%0.76231%0.31SS*.THydrogen-bonded Turntrans51.9-112.9-179-60.2153.4155.600112.1
51A74.3Confident73.5Confident72 Ų7254.9 Ų54.960%0.59531%0.305SS*.THydrogen-bonded Turntrans-92.4-5.2179.300000114.1H49 K72H49-A51 PolarHBondContact O-N 3.46Å; H49-A51 VanDerWaalsContact O-N 3.09Å; A51-K72 VanDerWaalsContact O-CB 3.23Å; A51-K72 WeakPolarHBondContact O-CB 3.49Å; A51-K72 PolarHBondContact O-N 2.97Å
52L76.8Confident74.8Confident33 Ų3350.8 Ų50.817%0.17329%0.289CS..EExtended strand (participates in β ladder)trans-105.9136.4-176-12575.7000112.4F4 H49 L54F4-L52 HydrophobicContact CD1-CD2 4.12Å; F4-L52 HydrophobicContact CE1-CD2 3.6Å; H49-L52 PolarHBondContact N-O 3.33Å; H49-L52 PolarHBondContact O-N 3.07Å; L52-L54 HydrophobicContact CD2-CD2 4.48Å
53T80.8Confident76.3Confident22 Ų2252.7 Ų52.714%0.13529%0.293CS..EExtended strand (participates in β ladder)trans-94.4127.5162.8-58.30000108.3F70T53-F70 HydrophobicContact CG2-CE1 4.08Å; T53-F70 HydrophobicContact CG2-CE2 4Å; T53-F70 HydrophobicContact CG2-CZ 3.57Å; T53-F70 PolarHBondContact N-O 2.81Å; T53-F70 PolarHBondContact O-N 2.86Å
54L82.6Confident78.2Confident0 Ų050.2 Ų50.20%027%0.267CS..EExtended strand (participates in β ladder)trans-107.8120.4176.5-65.6155.1000107.6F4 P28 L32 S46 F47 H49 L52 V67 V68F4-L54 HydrophobicContact CE1-CD2 3.93Å; F4-L54 HydrophobicContact CE2-CD2 4.44Å; F4-L54 HydrophobicContact CZ-CD2 3.44Å; F4-L54 VanDerWaalsContact CZ-CD2 3.44Å; P28-L54 HydrophobicContact CB-CD1 3.92Å; P28-L54 HydrophobicContact CB-CD2 4.24Å; L32-L54 HydrophobicContact CB-CD1 4.43Å; S46-L54 CarbonylContact C-O 3.6Å; S46-L54 WeakPolarHBondContact CA-O 3.46Å; F47-L54 HydrophobicContact CB-CB 4.48Å; F47-L54 HydrophobicContact CD1-CD1 3.73Å; F47-L54 HydrophobicContact CE1-CD1 4.23Å; F47-L54 PolarHBondContact N-O 3.39Å; F47-L54 WeakPolarHBondContact O-CA 3.37Å; F47-L54 WeakPolarHBondContact O-CB 3.41Å; F47-L54 PolarHBondContact O-N 2.82Å; F47-L54 VanDerWaalsContact O-O 3.14Å; H49-L54 HydrophobicContact CB-CD1 4.15Å; L52-L54 HydrophobicContact CD2-CD2 4.48Å; L54-V67 HydrophobicContact CD2-CG1 4.24Å; L54-V68 WeakPolarHBondContact CA-O 3.23Å
55K85.3Confident79.6Confident44 Ų4444.5 Ų44.519%0.19124%0.236CC..EExtended strand (participates in β ladder)trans-104.4149.5166.3-80.4-174.5166.8-169.90109.5N45 V67 V68 F70 V79 D80 I83N45-K55 WeakPolarHBondContact O-CA 3.42Å; K55-V67 WeakPolarHBondContact O-CA 3.2Å; K55-V68 HydrophobicContact CB-CG1 3.82Å; K55-V68 PolarHBondContact N-O 3.36Å; K55-V68 PolarHBondContact O-N 2.91Å; K55-F70 HydrophobicContact CB-CE1 4.32Å; K55-F70 HydrophobicContact CD-CE1 4.02Å; K55-F70 HydrophobicContact CD-CZ 4.19Å; K55-F70 HydrophobicContact CG-CE1 3.96Å; K55-F70 HydrophobicContact CG-CZ 4.31Å; K55-V79 HydrophobicContact CB-CG1 4.37Å; K55-V79 HydrophobicContact CD-CG1 3.9Å; K55-D80 WeakPolarHBondContact CD-OD1 3.18Å; K55-D80 WeakPolarHBondContact CE-OD1 3.33Å; K55-D80 IonicContact NZ-OD1 2.68Å; K55-D80 PolarHBondContact NZ-OD1 3.42Å; K55-D80 IonicContact NZ-OD2 2.82Å; K55-D80 PolarHBondContact NZ-OD2 3.1Å; K55-I83 HydrophobicContact CB-CD1 4.11Å
56Y85.8Confident80.6Confident12 Ų1239.5 Ų39.55%0.04721%0.21CC..EExtended strand (participates in β ladder)trans-142.7157178.571.7-85.4000112.6L32 V36 N44 N45 L58 F66L32-Y56 HydrophobicContact CD1-CD1 4.02Å; L32-Y56 HydrophobicContact CD1-CE1 4.42Å; V36-Y56 HydrophobicContact CG1-CE1 3.84Å; V36-Y56 HydrophobicContact CG1-CE2 4.28Å; V36-Y56 WeakPolarHBondContact CG1-OH 3.38Å; N44-Y56 PolarHBondContact O-OH 3.42Å; N44-Y56 VanDerWaalsContact O-OH 3.12Å; N45-Y56 PolarHBondContact O-N 2.88Å; Y56-L58 HydrophobicContact CD2-CD2 4.13Å; Y56-L58 HydrophobicContact CD2-CG 4.19Å; Y56-L58 HydrophobicContact CE2-CD1 4.41Å; Y56-L58 HydrophobicContact CE2-CD2 4.39Å; Y56-L58 HydrophobicContact CE2-CG 4.15Å; Y56-F66 CarbonylContact C-O 3.5Å; Y56-F66 WeakPolarHBondContact CA-O 3.32Å; Y56-F66 WeakPolarHBondContact CB-O 3.39Å
57K86Confident81.4Confident56 Ų5636.8 Ų36.824%0.24319%0.191CC..EExtended strand (participates in β ladder)trans-135.1141.7168.6-171.6177-174.3-175.20109.6F66 I83 D84 H87K57-F66 HydrophobicContact CB-CB 4.48Å; K57-F66 PolarHBondContact N-O 2.82Å; K57-F66 PolarHBondContact O-N 3Å; K57-I83 HydrophobicContact CB-CG2 3.51Å; K57-I83 HydrophobicContact CD-CG2 4.01Å; K57-I83 HydrophobicContact CG-CG2 4.39Å; K57-D84 IonicContact NZ-OD1 3.75Å; K57-D84 PolarHBondContact NZ-OD1 3.01Å; K57-H87 PolarHBondContact NZ-ND1 2.9Å; K57-H87 VanDerWaalsContact NZ-ND1 3.11Å
58L83.6Confident82.1Confident61 Ų6134.6 Ų34.632%0.31918%0.181SC..EExtended strand (participates in β ladder)trans-102.2130.5176.5-55.8178.6000109.3L37 Y56 V65L37-L58 HydrophobicContact CD1-CD2 3.65Å; Y56-L58 HydrophobicContact CD2-CD2 4.13Å; Y56-L58 HydrophobicContact CD2-CG 4.19Å; Y56-L58 HydrophobicContact CE2-CD1 4.41Å; Y56-L58 HydrophobicContact CE2-CD2 4.39Å; Y56-L58 HydrophobicContact CE2-CG 4.15Å; L58-V65 HydrophobicContact CD2-CB 4.44Å; L58-V65 HydrophobicContact CD2-CG1 3.96Å; L58-V65 HydrophobicContact CD2-CG2 4.04Å
59D85Confident82.7Confident8 Ų831.3 Ų31.34%0.04316%0.161CC..EExtended strand (participates in β ladder)trans-98108.6158.8-173.4-38.2000107.2Q61 F62 E63 L64 F66 H87D59-Q61 WeakPolarHBondContact OD1-CA 3.48Å; D59-Q61 WeakPolarHBondContact OD1-CB 3.29Å; D59-Q61 PolarHBondContact OD1-N 3.46Å; D59-F62 PolarHBondContact OD1-N 3.35Å; D59-E63 CarbonylContact O-C 3.59Å; D59-E63 WeakPolarHBondContact O-CA 3.23Å; D59-E63 PolarHBondContact O-N 3.08Å; D59-L64 HydrophobicContact CB-CB 4.09Å; D59-L64 PolarHBondContact N-O 3.08Å; D59-L64 PolarHBondContact O-N 2.95Å; D59-F66 HydrophobicContact CB-CE2 4.06Å; D59-H87 IonicContact OD2-CD2 3.73Å; D59-H87 IonicContact OD2-CE1 2.7Å; D59-H87 IonicContact OD2-NE2 3.81Å; D59-H87 PolarHBondContact OD2-NE2 3.09Å
60N79.3Confident83.3Confident15 Ų1529.3 Ų29.38%0.0815%0.152CC..THydrogen-bonded Turntrans-86.4-12179.8-64.6-55.9000112.8K10 N368 K373K10-N60 WeakPolarHBondContact CE-OD1 3.46Å; K10-N60 PolarHBondContact NZ-OD1 2.74Å; N60-N368 PolarHBondContact ND2-O 3.2Å; N60-K373 WeakPolarHBondContact O-CE 3.38Å; N60-K373 WeakPolarHBondContact O-CG 3.39Å
61Q79.6Confident83.5Confident42 Ų4226.1 Ų26.120%0.19614%0.137CC..THydrogen-bonded Turntrans-75.9-42.3175.8179.916964.300111.7D59 G372D59-Q61 WeakPolarHBondContact OD1-CA 3.48Å; D59-Q61 WeakPolarHBondContact OD1-CB 3.29Å; D59-Q61 PolarHBondContact OD1-N 3.46Å; Q61-G372 WeakPolarHBondContact CG-O 3.36Å; Q61-G372 PolarHBondContact NE2-O 2.74Å
62F82Confident83.2Confident13 Ų1328.8 Ų28.86%0.05714%0.135CC..THydrogen-bonded Turntrans-111.27.6179.6-59.7-70.4000113.7D59 L64 R91 I98 Q99D59-F62 PolarHBondContact OD1-N 3.35Å; F62-L64 VanDerWaalsContact C-N 3.34Å; F62-L64 HydrophobicContact CB-CD1 4.34Å; F62-L64 HydrophobicContact CB-CG 4.08Å; F62-L64 PolarHBondContact O-N 3.32Å; F62-R91 HydrophobicContact CD2-CG 4.09Å; F62-R91 HydrophobicContact CE2-CG 3.88Å; F62-I98 HydrophobicContact CB-CB 4.23Å; F62-I98 HydrophobicContact CB-CD1 3.98Å; F62-I98 HydrophobicContact CB-CG1 4.12Å; F62-I98 HydrophobicContact CD1-CB 4.28Å; F62-I98 HydrophobicContact CD1-CD1 4.06Å; F62-I98 HydrophobicContact CD1-CG1 3.66Å; F62-I98 HydrophobicContact CD2-CD1 3.91Å; F62-I98 HydrophobicContact CD2-CG1 4.43Å; F62-I98 HydrophobicContact CE1-CG1 4.18Å; F62-I98 HydrophobicContact CE2-CD1 4.44Å; F62-I98 HydrophobicContact CG-CB 4.4Å; F62-I98 HydrophobicContact CG-CD1 3.68Å; F62-I98 HydrophobicContact CG-CG1 3.79Å; F62-Q99 HydrophobicContact CD1-CB 4.4Å; F62-Q99 HydrophobicContact CE1-CB 3.75Å; F62-Q99 HydrophobicContact CE1-CG 4.08Å
63E82.6Confident82.5Confident62 Ų6234.1 Ų34.129%0.2916%0.162SC..THydrogen-bonded Turntrans54.946.9177.6-55.7-164.513300113S9 K10 D59 Q101 K373S9-E63 CarbonylContact C-O 3.52Å; S9-E63 WeakPolarHBondContact CA-O 3.26Å; K10-E63 HydrophobicContact CB-CB 4.26Å; K10-E63 HydrophobicContact CD-CB 4.06Å; K10-E63 HydrophobicContact CD-CG 4.47Å; K10-E63 HydrophobicContact CG-CB 4.17Å; K10-E63 PolarHBondContact N-O 2.73Å; D59-E63 CarbonylContact O-C 3.59Å; D59-E63 WeakPolarHBondContact O-CA 3.23Å; D59-E63 PolarHBondContact O-N 3.08Å; E63-Q101 PolarHBondContact OE2-NE2 3.15Å; E63-K373 IonicContact OE1-NZ 3.17Å; E63-K373 PolarHBondContact OE1-NZ 2.97Å
64L86.9Confident81.7Confident0 Ų036.2 Ų36.20%017%0.172CC..EExtended strand (participates in β ladder)trans-105.9154.4177.2-50.4-177.7000111.8F8 L15 D59 F62 F66 F90 I98F8-L64 CarbonylContact O-C 3.52Å; L15-L64 HydrophobicContact CD1-CD2 3.59Å; D59-L64 HydrophobicContact CB-CB 4.09Å; D59-L64 PolarHBondContact N-O 3.08Å; D59-L64 PolarHBondContact O-N 2.95Å; F62-L64 VanDerWaalsContact C-N 3.34Å; F62-L64 HydrophobicContact CB-CD1 4.34Å; F62-L64 HydrophobicContact CB-CG 4.08Å; F62-L64 PolarHBondContact O-N 3.32Å; L64-F66 HydrophobicContact CB-CE2 3.87Å; L64-F66 HydrophobicContact CB-CZ 4.4Å; L64-F66 HydrophobicContact CD1-CE2 4.38Å; L64-F66 HydrophobicContact CD1-CZ 4.17Å; L64-F90 HydrophobicContact CD1-CD1 4.21Å; L64-F90 HydrophobicContact CD1-CE1 4.14Å; L64-I98 HydrophobicContact CD1-CD1 4.27Å; L64-I98 HydrophobicContact CD1-CG2 4.38Å
65V87.4Confident80.9Confident1 Ų142.5 Ų42.51%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-127.8120.5176.4-169.50000107.9I7 F8 K10 L37 L58 V67I7-V65 WeakPolarHBondContact CA-O 3.43Å; F8-V65 HydrophobicContact CD1-CB 4.5Å; F8-V65 HydrophobicContact CD2-CB 3.97Å; F8-V65 HydrophobicContact CD2-CG2 4.17Å; F8-V65 HydrophobicContact CE1-CB 4.25Å; F8-V65 HydrophobicContact CE1-CG1 4.15Å; F8-V65 HydrophobicContact CE2-CB 3.68Å; F8-V65 HydrophobicContact CE2-CG1 3.94Å; F8-V65 HydrophobicContact CE2-CG2 3.86Å; F8-V65 HydrophobicContact CG-CB 4.37Å; F8-V65 HydrophobicContact CZ-CB 3.83Å; F8-V65 HydrophobicContact CZ-CG1 3.64Å; F8-V65 HydrophobicContact CZ-CG2 4.43Å; F8-V65 PolarHBondContact N-O 3.35Å; F8-V65 PolarHBondContact O-N 2.86Å; K10-V65 HydrophobicContact CG-CG2 4.06Å; L37-V65 HydrophobicContact CD1-CG1 4.03Å; L37-V65 HydrophobicContact CD1-CG2 3.83Å; L37-V65 HydrophobicContact CD2-CG2 4.06Å; L58-V65 HydrophobicContact CD2-CB 4.44Å; L58-V65 HydrophobicContact CD2-CG1 3.96Å; L58-V65 HydrophobicContact CD2-CG2 4.04Å; V65-V67 HydrophobicContact CG1-CG2 3.73Å
66F89.1Confident80.2Confident0 Ų041.5 Ų41.50%021%0.207CC..EExtended strand (participates in β ladder)trans-102.1121.7174.4-60.8-101000107.2F5 I7 Y56 K57 D59 L64 I83 V86 H87 F90F5-F66 HydrophobicContact CE1-CB 4.28Å; F5-F66 HydrophobicContact CE1-CD1 4.17Å; F5-F66 HydrophobicContact CZ-CB 4.3Å; F5-F66 HydrophobicContact CZ-CD1 4.42Å; I7-F66 HydrophobicContact CD1-CD1 3.83Å; I7-F66 HydrophobicContact CD1-CE1 3.7Å; I7-F66 HydrophobicContact CG1-CD1 3.7Å; I7-F66 HydrophobicContact CG1-CE1 3.97Å; I7-F66 HydrophobicContact CG2-CD1 4.24Å; I7-F66 HydrophobicContact CG2-CE1 3.98Å; I7-F66 HydrophobicContact CG2-CZ 4.3Å; Y56-F66 CarbonylContact C-O 3.5Å; Y56-F66 WeakPolarHBondContact CA-O 3.32Å; Y56-F66 WeakPolarHBondContact CB-O 3.39Å; K57-F66 HydrophobicContact CB-CB 4.48Å; K57-F66 PolarHBondContact N-O 2.82Å; K57-F66 PolarHBondContact O-N 3Å; D59-F66 HydrophobicContact CB-CE2 4.06Å; L64-F66 HydrophobicContact CB-CE2 3.87Å; L64-F66 HydrophobicContact CB-CZ 4.4Å; L64-F66 HydrophobicContact CD1-CE2 4.38Å; L64-F66 HydrophobicContact CD1-CZ 4.17Å; F66-I83 HydrophobicContact CB-CG2 4.04Å; F66-V86 HydrophobicContact CD1-CG1 4.16Å; F66-V86 HydrophobicContact CE1-CG1 4.31Å; F66-H87 HydrophobicContact CD1-CB 4.47Å; F66-H87 HydrophobicContact CE1-CB 4.24Å; F66-H87 HydrophobicContact CE2-CB 4.33Å; F66-H87 AromaticContact CE2-CD2 3.5Å; F66-H87 HydrophobicContact CZ-CB 4.18Å; F66-H87 AromaticContact CZ-CD2 3.62Å; F66-F90 HydrophobicContact CE1-CB 4.17Å; F66-F90 HydrophobicContact CE1-CD1 4.47Å; F66-F90 HydrophobicContact CE1-CG 4.38Å; F66-F90 HydrophobicContact CZ-CD1 4.42Å
67V88.4Confident79.8Confident0 Ų046.7 Ų46.70%024%0.24CC..EExtended strand (participates in β ladder)trans-128.7136.4-178.7-177.20000109.9F4 F5 T6 F8 L32 L54 K55 V65F4-V67 HydrophobicContact CE2-CG1 4.32Å; F5-V67 CarbonylContact C-O 3.58Å; F5-V67 WeakPolarHBondContact CA-O 3.5Å; T6-V67 HydrophobicContact CG2-CB 3.85Å; T6-V67 PolarHBondContact N-O 2.83Å; T6-V67 PolarHBondContact O-N 3.45Å; F8-V67 HydrophobicContact CE1-CB 4.35Å; F8-V67 HydrophobicContact CE1-CG2 3.56Å; F8-V67 HydrophobicContact CZ-CG2 3.92Å; L32-V67 HydrophobicContact CD2-CB 4.24Å; L32-V67 HydrophobicContact CD2-CG1 3.48Å; L32-V67 VanDerWaalsContact CD2-CG1 3.48Å; L32-V67 HydrophobicContact CD2-CG2 3.66Å; L54-V67 HydrophobicContact CD2-CG1 4.24Å; K55-V67 WeakPolarHBondContact O-CA 3.2Å; V65-V67 HydrophobicContact CG1-CG2 3.73Å
68V88Confident79.7Confident0 Ų045 Ų450%023%0.233CC..EExtended strand (participates in β ladder)trans-131.8132.2178.361.10000110.4L2 F4 F5 L54 K55 V79 I83L2-V68 HydrophobicContact CD1-CG2 3.89Å; L2-V68 HydrophobicContact CD2-CG2 3.68Å; L2-V68 HydrophobicContact CG-CG2 4.33Å; F4-V68 WeakPolarHBondContact O-CG2 3.49Å; F5-V68 HydrophobicContact CD2-CB 3.63Å; F5-V68 HydrophobicContact CD2-CG2 3.71Å; F5-V68 HydrophobicContact CE2-CB 3.96Å; F5-V68 HydrophobicContact CE2-CG2 4.34Å; F5-V68 HydrophobicContact CG-CB 4.32Å; L54-V68 WeakPolarHBondContact CA-O 3.23Å; K55-V68 HydrophobicContact CB-CG1 3.82Å; K55-V68 PolarHBondContact N-O 3.36Å; K55-V68 PolarHBondContact O-N 2.91Å; V68-V79 HydrophobicContact CG1-CG1 3.49Å; V68-V79 VanDerWaalsContact CG1-CG1 3.49Å; V68-V79 HydrophobicContact CG2-CG1 4.43Å; V68-I83 HydrophobicContact CG1-CD1 3.65Å; V68-I83 HydrophobicContact CG1-CG1 3.9Å
69G86.1Confident79.8Confident0 Ų042.1 Ų42.10%022%0.218CC..EExtended strand (participates in β ladder)trans-108.5131.717800000111.7D3 F4D3-G69 PolarHBondContact N-O 3.27Å; D3-G69 VanDerWaalsContact N-O 3.08Å; F4-G69 PolarHBondContact N-O 3.12Å; F4-G69 PolarHBondContact O-N 3.38Å
70F83.4Confident79.8Confident12 Ų1245.4 Ų45.45%0.05324%0.235CC..EExtended strand (participates in β ladder)trans-145.8146.1173.660.7-84.2000112.1L2 D3 T53 K55 K72 L74 L76 V79L2-F70 HydrophobicContact CD2-CB 4.03Å; D3-F70 VanDerWaalsContact OD2-C 3.3Å; D3-F70 WeakPolarHBondContact OD2-CA 3.34Å; T53-F70 HydrophobicContact CG2-CE1 4.08Å; T53-F70 HydrophobicContact CG2-CE2 4Å; T53-F70 HydrophobicContact CG2-CZ 3.57Å; T53-F70 PolarHBondContact N-O 2.81Å; T53-F70 PolarHBondContact O-N 2.86Å; K55-F70 HydrophobicContact CB-CE1 4.32Å; K55-F70 HydrophobicContact CD-CE1 4.02Å; K55-F70 HydrophobicContact CD-CZ 4.19Å; K55-F70 HydrophobicContact CG-CE1 3.96Å; K55-F70 HydrophobicContact CG-CZ 4.31Å; F70-K72 PolarHBondContact O-N 3.47Å; F70-L74 WeakPolarHBondContact CD2-O 3.48Å; F70-L74 WeakPolarHBondContact CE2-O 3.31Å; F70-L76 HydrophobicContact CB-CD1 3.65Å; F70-L76 HydrophobicContact CD2-CB 4.5Å; F70-L76 HydrophobicContact CD2-CD1 4.03Å; F70-L76 HydrophobicContact CD2-CG 4.16Å; F70-L76 HydrophobicContact CG-CD1 3.91Å; F70-V79 HydrophobicContact CD1-CG1 4.48Å; F70-V79 HydrophobicContact CD1-CG2 4.33Å; F70-V79 HydrophobicContact CE1-CG1 4.11Å; F70-V79 HydrophobicContact CE1-CG2 4.36Å
71Q79.8Confident80.2Confident96 Ų9648.9 Ų48.945%0.44925%0.25SC..EExtended strand (participates in β ladder)trans-55.2132.4179.9-46.7-1702.900112.4D3 I73 L74D3-Q71 WeakPolarHBondContact OD1-CG 3.27Å; D3-Q71 PolarHBondContact OD1-NE2 2.95Å; D3-Q71 WeakPolarHBondContact OD2-CG 3.43Å; D3-Q71 PolarHBondContact OD2-N 3.44Å; Q71-I73 HydrophobicContact CB-CG2 4.24Å; Q71-I73 PolarHBondContact O-N 2.77Å; Q71-L74 PolarHBondContact O-N 3.04Å
72K68.8Low80.7Confident128 Ų12847 Ų4756%0.55724%0.241SC*.THydrogen-bonded Turntrans-58.2-21.6-174.4-174178.5-176.6178.20114.7T48 A51 F70 L74T48-K72 HydrophobicContact CG2-CD 3.84Å; A51-K72 VanDerWaalsContact O-CB 3.23Å; A51-K72 WeakPolarHBondContact O-CB 3.49Å; A51-K72 PolarHBondContact O-N 2.97Å; F70-K72 PolarHBondContact O-N 3.47Å; K72-L74 VanDerWaalsContact C-N 3.29Å; K72-L74 PolarHBondContact O-N 2.97Å
73I61.8Low81.1Confident144 Ų14446.6 Ų46.674%0.73824%0.24SC*.THydrogen-bonded Turntrans-74.2-15.5177.1-164.659.6000113.3Q71Q71-I73 HydrophobicContact CB-CG2 4.24Å; Q71-I73 PolarHBondContact O-N 2.77Å
74L64.6Low81.4Confident66 Ų6646.5 Ų46.535%0.34624%0.241SC..  trans-105.8112.8-176-57.6-177.3000112.2F70 Q71 K72 L76F70-L74 WeakPolarHBondContact CD2-O 3.48Å; F70-L74 WeakPolarHBondContact CE2-O 3.31Å; Q71-L74 PolarHBondContact O-N 3.04Å; K72-L74 VanDerWaalsContact C-N 3.29Å; K72-L74 PolarHBondContact O-N 2.97Å; L74-L76 HydrophobicContact CB-CD2 3.8Å; L74-L76 HydrophobicContact CB-CG 3.85Å; L74-L76 HydrophobicContact CD1-CD2 4.23Å; L74-L76 PolarHBondContact O-N 3.09Å
75T65.1Low81.6Confident133 Ų13348.2 Ų48.282%0.81625%0.25SS*.  trans-79.767.9171.443.10000111.3T77T75-T77 PolarHBondContact O-N 3.21Å
76L71.8Confident81.8Confident22 Ų2248.2 Ų48.212%0.11525%0.25CC..  trans-7090.1-176.9-56.7-177.9000112L2 F70 L74 Y78 V79L2-L76 HydrophobicContact CD2-CD1 3.77Å; F70-L76 HydrophobicContact CB-CD1 3.65Å; F70-L76 HydrophobicContact CD2-CB 4.5Å; F70-L76 HydrophobicContact CD2-CD1 4.03Å; F70-L76 HydrophobicContact CD2-CG 4.16Å; F70-L76 HydrophobicContact CG-CD1 3.91Å; L74-L76 HydrophobicContact CB-CD2 3.8Å; L74-L76 HydrophobicContact CB-CG 3.85Å; L74-L76 HydrophobicContact CD1-CD2 4.23Å; L74-L76 PolarHBondContact O-N 3.09Å; L76-Y78 HydrophobicContact CB-CD1 4.38Å; L76-Y78 HydrophobicContact CB-CE1 4.03Å; L76-Y78 HydrophobicContact CD2-CE1 3.8Å; L76-Y78 HydrophobicContact CG-CE1 4.36Å; L76-Y78 PolarHBondContact O-N 3.12Å; L76-V79 HydrophobicContact CB-CG2 3.48Å; L76-V79 VanDerWaalsContact CB-CG2 3.48Å; L76-V79 HydrophobicContact CD1-CG2 4.14Å; L76-V79 HydrophobicContact CG-CG2 4.47Å; L76-V79 WeakPolarHBondContact O-CG2 3.39Å; L76-V79 PolarHBondContact O-N 3.39Å
77T77.4Confident81.9Confident121 Ų12149.4 Ų49.474%0.74226%0.256SS*.THydrogen-bonded Turntrans-65.5-15.9-177.252.70000115T75T75-T77 PolarHBondContact O-N 3.21Å
78Y83.9Confident82Confident20 Ų2056.9 Ų56.98%0.07828%0.284CS..THydrogen-bonded Turntrans-85.1-10.7178.560.5-91.1000114.1M1 L76 D80 K81 L82 L121 A124 E125M1-Y78 PolarHBondContact N-OH 3.27Å; L76-Y78 HydrophobicContact CB-CD1 4.38Å; L76-Y78 HydrophobicContact CB-CE1 4.03Å; L76-Y78 HydrophobicContact CD2-CE1 3.8Å; L76-Y78 HydrophobicContact CG-CE1 4.36Å; L76-Y78 PolarHBondContact O-N 3.12Å; Y78-D80 PolarHBondContact O-N 3.19Å; Y78-K81 PolarHBondContact O-N 2.67Å; Y78-L82 PolarHBondContact O-N 2.92Å; Y78-L121 HydrophobicContact CE2-CD1 4.3Å; Y78-A124 HydrophobicContact CD2-CB 4.03Å; Y78-E125 HydrophobicContact CD2-CG 4.49Å; Y78-E125 HydrophobicContact CE1-CG 4.38Å; Y78-E125 HydrophobicContact CE2-CG 3.77Å; Y78-E125 PolarHBondContact OH-OE1 3.16Å
79V85.7Confident82.2Confident1 Ų159.4 Ų59.41%0.00630%0.297CS..Hα-helixtrans-63.6-42.6-170.3171.60000112.6L2 K55 V68 F70 L76 K81 L82 I83L2-V79 HydrophobicContact CD2-CG2 3.99Å; K55-V79 HydrophobicContact CB-CG1 4.37Å; K55-V79 HydrophobicContact CD-CG1 3.9Å; V68-V79 HydrophobicContact CG1-CG1 3.49Å; V68-V79 VanDerWaalsContact CG1-CG1 3.49Å; V68-V79 HydrophobicContact CG2-CG1 4.43Å; F70-V79 HydrophobicContact CD1-CG1 4.48Å; F70-V79 HydrophobicContact CD1-CG2 4.33Å; F70-V79 HydrophobicContact CE1-CG1 4.11Å; F70-V79 HydrophobicContact CE1-CG2 4.36Å; L76-V79 HydrophobicContact CB-CG2 3.48Å; L76-V79 VanDerWaalsContact CB-CG2 3.48Å; L76-V79 HydrophobicContact CD1-CG2 4.14Å; L76-V79 HydrophobicContact CG-CG2 4.47Å; L76-V79 WeakPolarHBondContact O-CG2 3.39Å; L76-V79 PolarHBondContact O-N 3.39Å; V79-K81 PolarHBondContact O-N 3.42Å; V79-L82 PolarHBondContact O-N 2.87Å; V79-I83 HydrophobicContact CG1-CD1 3.99Å; V79-I83 HydrophobicContact CG1-CG1 4.39Å; V79-I83 WeakPolarHBondContact O-CG1 3.34Å; V79-I83 PolarHBondContact O-N 2.96Å
80D84.8Confident82.4Confident77 Ų7759.4 Ų59.441%0.41230%0.297SS..Hα-helixtrans-64.8-43-178.2-53.9-61.8000111.3K55 Y78 L82 I83 D84K55-D80 WeakPolarHBondContact CD-OD1 3.18Å; K55-D80 WeakPolarHBondContact CE-OD1 3.33Å; K55-D80 IonicContact NZ-OD1 2.68Å; K55-D80 PolarHBondContact NZ-OD1 3.42Å; K55-D80 IonicContact NZ-OD2 2.82Å; K55-D80 PolarHBondContact NZ-OD2 3.1Å; Y78-D80 PolarHBondContact O-N 3.19Å; D80-L82 PolarHBondContact O-N 3.32Å; D80-I83 PolarHBondContact O-N 3.06Å; D80-D84 PolarHBondContact O-N 2.79Å
81K87.6Confident82.6Confident89 Ų8962 Ų6239%0.38731%0.307SS..Hα-helixtrans-62.2-42.7173.1-173.9-173.4179.6-77.20111.5Y78 V79 I83 D84 D85Y78-K81 PolarHBondContact O-N 2.67Å; V79-K81 PolarHBondContact O-N 3.42Å; K81-I83 PolarHBondContact O-N 2.78Å; K81-D84 WeakPolarHBondContact O-CB 3.48Å; K81-D84 PolarHBondContact O-N 2.89Å; K81-D84 VanDerWaalsContact O-N 3.16Å; K81-D85 WeakPolarHBondContact CG-OD2 3.42Å; K81-D85 IonicContact NZ-OD1 3.97Å; K81-D85 IonicContact NZ-OD2 3.58Å; K81-D85 PolarHBondContact NZ-OD2 3.01Å; K81-D85 PolarHBondContact O-N 3.38Å
82L90.3Very high83Confident1 Ų162.1 Ų62.11%0.00531%0.31CS..Hα-helixtrans-62.9-41.2178.9179.765000111.7L2 Y78 V79 D80 D84 D85 V86 F117 L120 L121 A124L2-L82 HydrophobicContact CD1-CD2 3.6Å; Y78-L82 PolarHBondContact O-N 2.92Å; V79-L82 PolarHBondContact O-N 2.87Å; D80-L82 PolarHBondContact O-N 3.32Å; L82-D84 VanDerWaalsContact C-N 3.32Å; L82-D84 PolarHBondContact O-N 2.79Å; L82-D85 PolarHBondContact O-N 3.39Å; L82-V86 HydrophobicContact CD1-CG2 3.95Å; L82-V86 HydrophobicContact CG-CG2 4.29Å; L82-V86 VanDerWaalsContact O-CB 3.23Å; L82-V86 WeakPolarHBondContact O-CB 3.13Å; L82-V86 WeakPolarHBondContact O-CG2 3.18Å; L82-V86 PolarHBondContact O-N 3.19Å; L82-F117 HydrophobicContact CD2-CE2 4.45Å; L82-L120 HydrophobicContact CD1-CB 3.94Å; L82-L121 HydrophobicContact CD2-CD1 3.84Å; L82-A124 HydrophobicContact CB-CB 4.14Å; L82-A124 HydrophobicContact CD1-CB 4.01Å; L82-A124 HydrophobicContact CG-CB 4.49Å
83I89.8Confident84Confident6 Ų660.3 Ų60.33%0.03130%0.302CS..Hα-helixtrans-61.8-42.6173.8-59.3161.3000110.1F5 K55 K57 F66 V68 V79 D80 K81 H87F5-I83 HydrophobicContact CE2-CG1 4.04Å; F5-I83 HydrophobicContact CZ-CG1 4.34Å; K55-I83 HydrophobicContact CB-CD1 4.11Å; K57-I83 HydrophobicContact CB-CG2 3.51Å; K57-I83 HydrophobicContact CD-CG2 4.01Å; K57-I83 HydrophobicContact CG-CG2 4.39Å; F66-I83 HydrophobicContact CB-CG2 4.04Å; V68-I83 HydrophobicContact CG1-CD1 3.65Å; V68-I83 HydrophobicContact CG1-CG1 3.9Å; V79-I83 HydrophobicContact CG1-CD1 3.99Å; V79-I83 HydrophobicContact CG1-CG1 4.39Å; V79-I83 WeakPolarHBondContact O-CG1 3.34Å; V79-I83 PolarHBondContact O-N 2.96Å; D80-I83 PolarHBondContact O-N 3.06Å; K81-I83 PolarHBondContact O-N 2.78Å; I83-H87 WeakPolarHBondContact O-CB 3.29Å; I83-H87 PolarHBondContact O-N 2.9Å
84D88.9Confident85.2Confident60 Ų6053.9 Ų53.932%0.32127%0.269SS..Hα-helixtrans-63.4-44.2178.4-79.3-13.8000113.3K57 D80 K81 L82 R88K57-D84 IonicContact NZ-OD1 3.75Å; K57-D84 PolarHBondContact NZ-OD1 3.01Å; D80-D84 PolarHBondContact O-N 2.79Å; K81-D84 WeakPolarHBondContact O-CB 3.48Å; K81-D84 PolarHBondContact O-N 2.89Å; K81-D84 VanDerWaalsContact O-N 3.16Å; L82-D84 VanDerWaalsContact C-N 3.32Å; L82-D84 PolarHBondContact O-N 2.79Å; D84-R88 VanDerWaalsContact O-CG 3.27Å; D84-R88 WeakPolarHBondContact O-CG 3.45Å; D84-R88 PolarHBondContact O-N 3.48Å; D84-R88 VanDerWaalsContact O-N 3.09Å
85D90.9Very high86.2Confident36 Ų3655.1 Ų55.119%0.19327%0.269CS..Hα-helixtrans-70.3-41.4179.6-65.4-31.6000111.6K81 L82 R88 L89 L120K81-D85 WeakPolarHBondContact CG-OD2 3.42Å; K81-D85 IonicContact NZ-OD1 3.97Å; K81-D85 IonicContact NZ-OD2 3.58Å; K81-D85 PolarHBondContact NZ-OD2 3.01Å; K81-D85 PolarHBondContact O-N 3.38Å; L82-D85 PolarHBondContact O-N 3.39Å; D85-R88 PolarHBondContact O-N 2.83Å; D85-L89 WeakPolarHBondContact O-CB 3.48Å; D85-L89 PolarHBondContact O-N 2.98Å; D85-L120 HydrophobicContact CB-CD1 4.47Å; D85-L120 HydrophobicContact CB-CD2 4.22Å
86V92.5Very high87.1Confident0 Ų053.7 Ų53.70%026%0.26CS..Hα-helixtrans-63-44.9173.5165.40000110.9F5 I7 F66 L82 R88 L89 F90 F113 F117 L120F5-V86 HydrophobicContact CE1-CG1 3.85Å; F5-V86 HydrophobicContact CZ-CB 4.17Å; F5-V86 HydrophobicContact CZ-CG1 3.73Å; I7-V86 HydrophobicContact CD1-CG1 4.03Å; F66-V86 HydrophobicContact CD1-CG1 4.16Å; F66-V86 HydrophobicContact CE1-CG1 4.31Å; L82-V86 HydrophobicContact CD1-CG2 3.95Å; L82-V86 HydrophobicContact CG-CG2 4.29Å; L82-V86 VanDerWaalsContact O-CB 3.23Å; L82-V86 WeakPolarHBondContact O-CB 3.13Å; L82-V86 WeakPolarHBondContact O-CG2 3.18Å; L82-V86 PolarHBondContact O-N 3.19Å; V86-R88 PolarHBondContact O-N 3.36Å; V86-L89 PolarHBondContact O-N 2.92Å; V86-F90 WeakPolarHBondContact O-CB 3.09Å; V86-F90 PolarHBondContact O-N 2.94Å; V86-F113 HydrophobicContact CB-CE1 4.48Å; V86-F113 HydrophobicContact CG1-CE1 3.82Å; V86-F113 HydrophobicContact CG1-CZ 4.38Å; V86-F113 HydrophobicContact CG2-CE1 4.33Å; V86-F117 HydrophobicContact CG2-CD2 3.77Å; V86-F117 HydrophobicContact CG2-CE2 4.05Å; V86-L120 HydrophobicContact CB-CD1 4.41Å; V86-L120 HydrophobicContact CG2-CB 4.42Å; V86-L120 HydrophobicContact CG2-CD1 3.72Å
87H90.4Very high87.5Confident26 Ų2655 Ų5512%0.1227%0.265CS..Hα-helixtrans-56.7-49177.5170-146.7000111.3K57 D59 F66 I83 R91K57-H87 PolarHBondContact NZ-ND1 2.9Å; K57-H87 VanDerWaalsContact NZ-ND1 3.11Å; D59-H87 IonicContact OD2-CD2 3.73Å; D59-H87 IonicContact OD2-CE1 2.7Å; D59-H87 IonicContact OD2-NE2 3.81Å; D59-H87 PolarHBondContact OD2-NE2 3.09Å; F66-H87 HydrophobicContact CD1-CB 4.47Å; F66-H87 HydrophobicContact CE1-CB 4.24Å; F66-H87 HydrophobicContact CE2-CB 4.33Å; F66-H87 AromaticContact CE2-CD2 3.5Å; F66-H87 HydrophobicContact CZ-CB 4.18Å; F66-H87 AromaticContact CZ-CD2 3.62Å; I83-H87 WeakPolarHBondContact O-CB 3.29Å; I83-H87 PolarHBondContact O-N 2.9Å; H87-R91 WeakPolarHBondContact O-CB 3.27Å; H87-R91 PolarHBondContact O-N 3.47Å; H87-R91 VanDerWaalsContact O-N 3.07Å
88R89.9Confident87.7Confident157 Ų15749.4 Ų49.459%0.59223%0.231SC*.Hα-helixtrans-60.2-55.8176.9-69.8167.2-175.1-1491.2111.6D84 D85 V86 F90 R91 D92D84-R88 VanDerWaalsContact O-CG 3.27Å; D84-R88 WeakPolarHBondContact O-CG 3.45Å; D84-R88 PolarHBondContact O-N 3.48Å; D84-R88 VanDerWaalsContact O-N 3.09Å; D85-R88 PolarHBondContact O-N 2.83Å; V86-R88 PolarHBondContact O-N 3.36Å; R88-F90 PolarHBondContact O-N 3.36Å; R88-R91 PolarHBondContact O-N 3.49Å; R88-D92 WeakPolarHBondContact O-CB 3.4Å; R88-D92 PolarHBondContact O-N 3.5Å
89L92.4Very high87.5Confident52 Ų5253.7 Ų53.727%0.27225%0.252SS..Hα-helixtrans-65.4-37.4-174.2-173.364.5000112.4D85 V86 K93 F113 D116 L120D85-L89 WeakPolarHBondContact O-CB 3.48Å; D85-L89 PolarHBondContact O-N 2.98Å; V86-L89 PolarHBondContact O-N 2.92Å; L89-K93 WeakPolarHBondContact O-CB 3.47Å; L89-K93 PolarHBondContact O-N 3.16Å; L89-F113 HydrophobicContact CB-CE2 4.32Å; L89-F113 HydrophobicContact CB-CZ 4.13Å; L89-F113 HydrophobicContact CD2-CE2 4.12Å; L89-F113 HydrophobicContact CD2-CZ 4.06Å; L89-F113 HydrophobicContact CG-CE2 3.97Å; L89-F113 HydrophobicContact CG-CZ 4.14Å; L89-D116 HydrophobicContact CD2-CB 3.91Å; L89-L120 HydrophobicContact CB-CD1 4.22Å; L89-L120 HydrophobicContact CD2-CD1 3.75Å; L89-L120 HydrophobicContact CD2-CG 4.23Å
90F91.2Very high86.8Confident0 Ų059.6 Ų59.60%028%0.279CS..Hα-helixtrans-67.2-45.7176.8-168.8-83.2000111.7I7 L15 W16 L64 F66 V86 R88 D92 K93 Y94 F111 F113I7-F90 HydrophobicContact CD1-CB 4.41Å; I7-F90 HydrophobicContact CD1-CD2 3.43Å; I7-F90 VanDerWaalsContact CD1-CD2 3.43Å; I7-F90 HydrophobicContact CD1-CE2 3.71Å; I7-F90 HydrophobicContact CD1-CG 3.88Å; I7-F90 HydrophobicContact CD1-CZ 4.37Å; I7-F90 HydrophobicContact CG2-CD1 4.34Å; I7-F90 HydrophobicContact CG2-CE1 3.96Å; I7-F90 HydrophobicContact CG2-CE2 4.35Å; I7-F90 HydrophobicContact CG2-CZ 3.97Å; L15-F90 HydrophobicContact CB-CZ 4.09Å; L15-F90 HydrophobicContact CD1-CE1 4.05Å; L15-F90 HydrophobicContact CD1-CZ 4.13Å; W16-F90 HydrophobicContact CB-CE2 4.26Å; L64-F90 HydrophobicContact CD1-CD1 4.21Å; L64-F90 HydrophobicContact CD1-CE1 4.14Å; F66-F90 HydrophobicContact CE1-CB 4.17Å; F66-F90 HydrophobicContact CE1-CD1 4.47Å; F66-F90 HydrophobicContact CE1-CG 4.38Å; F66-F90 HydrophobicContact CZ-CD1 4.42Å; V86-F90 WeakPolarHBondContact O-CB 3.09Å; V86-F90 PolarHBondContact O-N 2.94Å; R88-F90 PolarHBondContact O-N 3.36Å; F90-D92 VanDerWaalsContact C-N 3.34Å; F90-D92 PolarHBondContact O-N 2.88Å; F90-K93 PolarHBondContact O-N 3.05Å; F90-Y94 HydrophobicContact CD1-CD2 4.02Å; F90-Y94 AromaticContact CD2-CD2 3.74Å; F90-Y94 HydrophobicContact CD2-CD2 3.74Å; F90-Y94 AromaticContact CD2-CE2 3.72Å; F90-Y94 HydrophobicContact CD2-CE2 3.72Å; F90-Y94 AromaticContact CE1-CD2 3.93Å; F90-Y94 HydrophobicContact CE1-CD2 3.93Å; F90-Y94 AromaticContact CE2-CD2 3.65Å; F90-Y94 HydrophobicContact CE2-CD2 3.65Å; F90-Y94 AromaticContact CE2-CE2 3.61Å; F90-Y94 HydrophobicContact CE2-CE2 3.61Å; F90-Y94 AromaticContact CG-CD2 3.92Å; F90-Y94 HydrophobicContact CG-CD2 3.92Å; F90-Y94 HydrophobicContact CG-CE2 4.33Å; F90-Y94 AromaticContact CZ-CD2 3.75Å; F90-Y94 HydrophobicContact CZ-CD2 3.75Å; F90-Y94 HydrophobicContact CZ-CE2 4.13Å; F90-Y94 WeakPolarHBondContact O-CD2 3.45Å; F90-Y94 PolarHBondContact O-N 3.48Å; F90-F111 HydrophobicContact CE1-CD1 4.19Å; F90-F111 HydrophobicContact CE1-CE1 4.41Å; F90-F111 HydrophobicContact CE2-CB 4.49Å; F90-F111 HydrophobicContact CE2-CD1 4.25Å; F90-F111 HydrophobicContact CZ-CB 4.41Å; F90-F111 AromaticContact CZ-CD1 3.54Å; F90-F111 HydrophobicContact CZ-CD1 3.54Å; F90-F111 HydrophobicContact CZ-CE1 4.15Å; F90-F111 HydrophobicContact CZ-CG 4.22Å; F90-F113 HydrophobicContact CB-CE2 4.06Å; F90-F113 HydrophobicContact CB-CZ 4.11Å; F90-F113 HydrophobicContact CD2-CB 4.15Å; F90-F113 HydrophobicContact CD2-CD1 4.07Å; F90-F113 AromaticContact CD2-CD2 3.78Å; F90-F113 HydrophobicContact CD2-CD2 3.78Å; F90-F113 HydrophobicContact CD2-CE1 4.45Å; F90-F113 HydrophobicContact CD2-CE2 4.15Å; F90-F113 AromaticContact CD2-CG 3.73Å; F90-F113 HydrophobicContact CD2-CG 3.73Å; F90-F113 HydrophobicContact CD2-CZ 4.47Å; F90-F113 HydrophobicContact CE2-CB 4.21Å; F90-F113 HydrophobicContact CE2-CG 4.29Å
91R87.4Confident85.7Confident68 Ų6860.8 Ų60.826%0.25728%0.282SS..Hα-helixtrans-60.5-40.8177.3174.1-178.7177.7-100.98.4112.6F62 H87 R88 R95F62-R91 HydrophobicContact CD2-CG 4.09Å; F62-R91 HydrophobicContact CE2-CG 3.88Å; H87-R91 WeakPolarHBondContact O-CB 3.27Å; H87-R91 PolarHBondContact O-N 3.47Å; H87-R91 VanDerWaalsContact O-N 3.07Å; R88-R91 PolarHBondContact O-N 3.49Å; R91-R95 WeakPolarHBondContact O-CA 3.33Å; R91-R95 WeakPolarHBondContact O-CB 3.47Å; R91-R95 PolarHBondContact O-N 3.42Å
92D88.6Confident84.8Confident97 Ų9759.1 Ų59.152%0.51928%0.282SS..Hα-helixtrans-82.4-31.2-177.1-64-20.7000111.8R88 F90R88-D92 WeakPolarHBondContact O-CB 3.4Å; R88-D92 PolarHBondContact O-N 3.5Å; F90-D92 VanDerWaalsContact C-N 3.34Å; F90-D92 PolarHBondContact O-N 2.88Å
93K88.5Confident83.7Confident90 Ų9062 Ų6239%0.39131%0.305SS..Hα-helixtrans-70.8-47.1175.1-174.9179.3179.9-176.50112.9L89 F90 D112 F113 D116L89-K93 WeakPolarHBondContact O-CB 3.47Å; L89-K93 PolarHBondContact O-N 3.16Å; F90-K93 PolarHBondContact O-N 3.05Å; K93-D112 PolarHBondContact NZ-O 2.87Å; K93-F113 HydrophobicContact CD-CD2 4.25Å; K93-D116 IonicContact NZ-OD2 2.74Å; K93-D116 PolarHBondContact NZ-OD2 2.98Å
94Y88.1Confident82.8Confident10 Ų1067.1 Ų67.14%0.03933%0.333CS..SBendtrans-104.827.8-174-56.9-63.6000113.7F90 T96 E97 I98 F111 D112 F113F90-Y94 HydrophobicContact CD1-CD2 4.02Å; F90-Y94 AromaticContact CD2-CD2 3.74Å; F90-Y94 HydrophobicContact CD2-CD2 3.74Å; F90-Y94 AromaticContact CD2-CE2 3.72Å; F90-Y94 HydrophobicContact CD2-CE2 3.72Å; F90-Y94 AromaticContact CE1-CD2 3.93Å; F90-Y94 HydrophobicContact CE1-CD2 3.93Å; F90-Y94 AromaticContact CE2-CD2 3.65Å; F90-Y94 HydrophobicContact CE2-CD2 3.65Å; F90-Y94 AromaticContact CE2-CE2 3.61Å; F90-Y94 HydrophobicContact CE2-CE2 3.61Å; F90-Y94 AromaticContact CG-CD2 3.92Å; F90-Y94 HydrophobicContact CG-CD2 3.92Å; F90-Y94 HydrophobicContact CG-CE2 4.33Å; F90-Y94 AromaticContact CZ-CD2 3.75Å; F90-Y94 HydrophobicContact CZ-CD2 3.75Å; F90-Y94 HydrophobicContact CZ-CE2 4.13Å; F90-Y94 WeakPolarHBondContact O-CD2 3.45Å; F90-Y94 PolarHBondContact O-N 3.48Å; Y94-T96 PolarHBondContact O-N 3.38Å; Y94-E97 VanDerWaalsContact CA-OE2 3.31Å; Y94-E97 WeakPolarHBondContact CA-OE2 3.16Å; Y94-E97 PolarHBondContact O-N 2.96Å; Y94-E97 VanDerWaalsContact O-OE2 3.12Å; Y94-I98 WeakPolarHBondContact O-CG1 3.39Å; Y94-I98 PolarHBondContact O-N 2.84Å; Y94-I98 VanDerWaalsContact O-N 3.15Å; Y94-F111 AromaticContact CD1-CD1 3.89Å; Y94-F111 HydrophobicContact CD1-CD1 3.89Å; Y94-F111 HydrophobicContact CD1-CE1 4.31Å; Y94-F111 AromaticContact CD2-CD1 3.7Å; Y94-F111 HydrophobicContact CD2-CD1 3.7Å; Y94-F111 HydrophobicContact CD2-CE1 4.34Å; Y94-F111 HydrophobicContact CE1-CD1 4.29Å; Y94-F111 HydrophobicContact CE2-CB 4.42Å; Y94-F111 HydrophobicContact CE2-CD1 4.09Å; Y94-F111 AromaticContact CG-CD1 3.58Å; Y94-F111 HydrophobicContact CG-CD1 3.58Å; Y94-F111 AromaticContact CG-CE1 3.91Å; Y94-F111 HydrophobicContact CG-CE1 3.91Å; Y94-D112 PolarHBondContact OH-N 3.25Å; Y94-D112 PolarHBondContact OH-O 3.21Å; Y94-F113 HydrophobicContact CE2-CB 4.23Å; Y94-F113 AromaticContact CE2-CD2 3.82Å; Y94-F113 HydrophobicContact CE2-CD2 3.82Å; Y94-F113 HydrophobicContact CE2-CG 4.4Å; Y94-F113 PolarHBondContact OH-N 3.26Å
95R84.9Confident82.1Confident92 Ų9265 Ų6535%0.34732%0.323SS..Hα-helixtrans-57.6-38.5-172.4-165.6-175174.889.712112.4R91 E97 Q99R91-R95 WeakPolarHBondContact O-CA 3.33Å; R91-R95 WeakPolarHBondContact O-CB 3.47Å; R91-R95 PolarHBondContact O-N 3.42Å; R95-E97 VanDerWaalsContact C-N 3.34Å; R95-E97 PolarHBondContact O-N 2.64Å; R95-Q99 VanDerWaalsContact NH2-OE1 3.12Å; R95-Q99 WeakPolarHBondContact O-CB 3.45Å; R95-Q99 PolarHBondContact O-N 3.24Å
96T83.3Confident81.3Confident102 Ų10264.6 Ų64.663%0.62632%0.32SS*.Hα-helixtrans-67.3-37.7-175.2-530000111.7Y94 Q100Y94-T96 PolarHBondContact O-N 3.38Å; T96-Q100 WeakPolarHBondContact O-CG 3.07Å; T96-Q100 PolarHBondContact O-NE2 3.19Å
97E82.1Confident80.4Confident49 Ų4970 Ų7023%0.22935%0.348CS..Hα-helixtrans-76.5-42.6-177.3-58.991.2138.700111.1Y94 R95 S105 F111Y94-E97 VanDerWaalsContact CA-OE2 3.31Å; Y94-E97 WeakPolarHBondContact CA-OE2 3.16Å; Y94-E97 PolarHBondContact O-N 2.96Å; Y94-E97 VanDerWaalsContact O-OE2 3.12Å; R95-E97 VanDerWaalsContact C-N 3.34Å; R95-E97 PolarHBondContact O-N 2.64Å; E97-S105 WeakPolarHBondContact CA-OG 3.41Å; E97-S105 WeakPolarHBondContact O-CB 3.35Å; E97-S105 PolarHBondContact O-OG 2.94Å; E97-F111 HydrophobicContact CB-CE1 4.24Å; E97-F111 HydrophobicContact CB-CZ 4.07Å
98I81.2Confident79.6Confident4 Ų475 Ų752%0.02138%0.376CS..Hα-helixtrans-80.7-31.9-178.470-174.1000113F62 L64 Y94 Q100 L106 F111F62-I98 HydrophobicContact CB-CB 4.23Å; F62-I98 HydrophobicContact CB-CD1 3.98Å; F62-I98 HydrophobicContact CB-CG1 4.12Å; F62-I98 HydrophobicContact CD1-CB 4.28Å; F62-I98 HydrophobicContact CD1-CD1 4.06Å; F62-I98 HydrophobicContact CD1-CG1 3.66Å; F62-I98 HydrophobicContact CD2-CD1 3.91Å; F62-I98 HydrophobicContact CD2-CG1 4.43Å; F62-I98 HydrophobicContact CE1-CG1 4.18Å; F62-I98 HydrophobicContact CE2-CD1 4.44Å; F62-I98 HydrophobicContact CG-CB 4.4Å; F62-I98 HydrophobicContact CG-CD1 3.68Å; F62-I98 HydrophobicContact CG-CG1 3.79Å; L64-I98 HydrophobicContact CD1-CD1 4.27Å; L64-I98 HydrophobicContact CD1-CG2 4.38Å; Y94-I98 WeakPolarHBondContact O-CG1 3.39Å; Y94-I98 PolarHBondContact O-N 2.84Å; Y94-I98 VanDerWaalsContact O-N 3.15Å; I98-Q100 VanDerWaalsContact C-N 3.25Å; I98-Q100 PolarHBondContact O-N 3.49Å; I98-L106 HydrophobicContact CG2-CD2 4.06Å; I98-F111 HydrophobicContact CG2-CE1 4.23Å
99Q78.7Confident78.8Confident110 Ų11068.3 Ų68.351%0.51436%0.356SS..THydrogen-bonded Turntrans-70.4-17.9-176.5-176.3170.5-38.400113.7F62 R95 Q101F62-Q99 HydrophobicContact CD1-CB 4.4Å; F62-Q99 HydrophobicContact CE1-CB 3.75Å; F62-Q99 HydrophobicContact CE1-CG 4.08Å; R95-Q99 VanDerWaalsContact NH2-OE1 3.12Å; R95-Q99 WeakPolarHBondContact O-CB 3.45Å; R95-Q99 PolarHBondContact O-N 3.24Å; Q99-Q101 VanDerWaalsContact C-N 3.28Å; Q99-Q101 PolarHBondContact O-N 3.18Å
100Q71.4Confident78.1Confident125 Ų12571.9 Ų71.958%0.58438%0.38SS*.THydrogen-bonded Turntrans-77-9.6-177.7-73.1177.76400114.2T96 I98 S102T96-Q100 WeakPolarHBondContact O-CG 3.07Å; T96-Q100 PolarHBondContact O-NE2 3.19Å; I98-Q100 VanDerWaalsContact C-N 3.25Å; I98-Q100 PolarHBondContact O-N 3.49Å; Q100-S102 PolarHBondContact O-N 3.1Å
101Q60.7Low77.7Confident103 Ų10372.7 Ų72.748%0.48138%0.384SS..  trans52.4-2.1-177.6-140.771.514.800116.8E63 Q99E63-Q101 PolarHBondContact OE2-NE2 3.15Å; Q99-Q101 VanDerWaalsContact C-N 3.28Å; Q99-Q101 PolarHBondContact O-N 3.18Å
102S69.4Low77.7Confident53 Ų5373.7 Ų73.737%0.37139%0.394SS..  trans-81.1128.7178.4177.50000110.6Q100 L104 S105 L106Q100-S102 PolarHBondContact O-N 3.1Å; S102-L104 PolarHBondContact O-N 2.72Å; S102-L104 VanDerWaalsContact O-N 3.14Å; S102-L104 PolarHBondContact OG-N 3.16Å; S102-S105 VanDerWaalsContact O-CB 3.25Å; S102-S105 WeakPolarHBondContact O-CB 3.44Å; S102-S105 PolarHBondContact O-N 3.05Å; S102-L106 PolarHBondContact O-N 2.78Å
103A68Low77.8Confident61 Ų6169 Ų6950%0.50437%0.369SS..Hα-helixtrans-56.7-29.5174.600000112.6S105 L106 L107A103-S105 VanDerWaalsContact C-N 3.34Å; A103-L106 PolarHBondContact O-N 2.83Å; A103-L107 WeakPolarHBondContact O-CB 3.19Å; A103-L107 VanDerWaalsContact O-CG 3.28Å; A103-L107 WeakPolarHBondContact O-CG 3.33Å; A103-L107 PolarHBondContact O-N 2.88Å
104L70.5Confident77.8Confident115 Ų11568 Ų6860%0.60237%0.366SS*.Hα-helixtrans-69.4-30.7175.2-61.4177.4000112.6S102 L107 N108S102-L104 PolarHBondContact O-N 2.72Å; S102-L104 VanDerWaalsContact O-N 3.14Å; S102-L104 PolarHBondContact OG-N 3.16Å; L104-L107 HydrophobicContact CD2-CD1 4.36Å; L104-L107 PolarHBondContact O-N 2.98Å; L104-N108 VanDerWaalsContact O-CB 3.27Å; L104-N108 WeakPolarHBondContact O-CB 3.42Å; L104-N108 PolarHBondContact O-N 3.4Å; L104-N108 PolarHBondContact O-ND2 3.38Å
105S74.6Confident77.8Confident16 Ų1672.9 Ų72.911%0.11239%0.393CS..Hα-helixtrans-64.9-43.3173-170.90000110.6E97 S102 A103 G109E97-S105 WeakPolarHBondContact CA-OG 3.41Å; E97-S105 WeakPolarHBondContact O-CB 3.35Å; E97-S105 PolarHBondContact O-OG 2.94Å; S102-S105 VanDerWaalsContact O-CB 3.25Å; S102-S105 WeakPolarHBondContact O-CB 3.44Å; S102-S105 PolarHBondContact O-N 3.05Å; A103-S105 VanDerWaalsContact C-N 3.34Å; S105-G109 PolarHBondContact O-N 3.25Å; S105-G109 VanDerWaalsContact O-N 3.09Å
106L74.1Confident78.1Confident26 Ų2669.7 Ų69.714%0.13638%0.383CS..Hα-helixtrans-73.1-27.6177.8-60.4-179.7000113.6L13 L15 I98 S102 A103 F111L13-L106 HydrophobicContact CD1-CB 3.9Å; L15-L106 HydrophobicContact CD2-CB 4.09Å; L15-L106 HydrophobicContact CD2-CD2 4.04Å; L15-L106 HydrophobicContact CD2-CG 4.45Å; I98-L106 HydrophobicContact CG2-CD2 4.06Å; S102-L106 PolarHBondContact O-N 2.78Å; A103-L106 PolarHBondContact O-N 2.83Å; L106-F111 HydrophobicContact CD2-CZ 4.11Å
107L72.8Confident78.5Confident113 Ų11364.9 Ų64.959%0.59235%0.353SS*.Hα-helixtrans-78.1-31174.6-74.7167.4000112.9L13 A103 L104L13-L107 HydrophobicContact CD1-CD2 3.81Å; L13-L107 HydrophobicContact CD1-CG 3.87Å; L13-L107 HydrophobicContact CG-CD2 4.41Å; A103-L107 WeakPolarHBondContact O-CB 3.19Å; A103-L107 VanDerWaalsContact O-CG 3.28Å; A103-L107 WeakPolarHBondContact O-CG 3.33Å; A103-L107 PolarHBondContact O-N 2.88Å; L104-L107 HydrophobicContact CD2-CD1 4.36Å; L104-L107 PolarHBondContact O-N 2.98Å
108N74.1Confident78.9Confident131 Ų13165.8 Ų65.870%0.70136%0.359SS*.Hα-helixtrans-90.4-14.8-178.8-64.7-13.3000113.2L104L104-N108 VanDerWaalsContact O-CB 3.27Å; L104-N108 WeakPolarHBondContact O-CB 3.42Å; L104-N108 PolarHBondContact O-N 3.4Å; L104-N108 PolarHBondContact O-ND2 3.38Å
109G72.6Confident79.4Confident18 Ų1872.4 Ų72.419%0.18638%0.384CS..  trans-76.4129.617900000113.2S105 F111S105-G109 PolarHBondContact O-N 3.25Å; S105-G109 VanDerWaalsContact O-N 3.09Å; G109-F111 WeakPolarHBondContact O-CD2 3.39Å; G109-F111 VanDerWaalsContact O-CE2 3.32Å; G109-F111 WeakPolarHBondContact O-CE2 3.33Å; G109-F111 PolarHBondContact O-N 2.95Å
110T77.3Confident80Confident127 Ų12767.9 Ų67.978%0.77936%0.363SS*.  trans-95.489177.854.40000111.3D112T110-D112 VanDerWaalsContact C-N 3.32Å; T110-D112 PolarHBondContact O-N 3.05Å
111F83Confident80.9Confident17 Ų1762.9 Ų62.98%0.07534%0.34CS..  trans-78.561.4-173.8-58.8-88.9000114.2L15 W16 F90 Y94 E97 I98 L106 G109 F113L15-F111 HydrophobicContact CB-CD1 4.47Å; L15-F111 HydrophobicContact CB-CD2 4.12Å; L15-F111 HydrophobicContact CB-CE2 4.41Å; L15-F111 HydrophobicContact CB-CG 4.18Å; L15-F111 HydrophobicContact CD1-CE1 4.45Å; L15-F111 HydrophobicContact CD1-CZ 4.5Å; L15-F111 HydrophobicContact CD2-CD2 4.2Å; L15-F111 HydrophobicContact CD2-CE2 3.67Å; L15-F111 HydrophobicContact CD2-CZ 3.87Å; L15-F111 WeakPolarHBondContact O-CB 3.35Å; W16-F111 HydrophobicContact CB-CB 4.4Å; F90-F111 HydrophobicContact CE1-CD1 4.19Å; F90-F111 HydrophobicContact CE1-CE1 4.41Å; F90-F111 HydrophobicContact CE2-CB 4.49Å; F90-F111 HydrophobicContact CE2-CD1 4.25Å; F90-F111 HydrophobicContact CZ-CB 4.41Å; F90-F111 AromaticContact CZ-CD1 3.54Å; F90-F111 HydrophobicContact CZ-CD1 3.54Å; F90-F111 HydrophobicContact CZ-CE1 4.15Å; F90-F111 HydrophobicContact CZ-CG 4.22Å; Y94-F111 AromaticContact CD1-CD1 3.89Å; Y94-F111 HydrophobicContact CD1-CD1 3.89Å; Y94-F111 HydrophobicContact CD1-CE1 4.31Å; Y94-F111 AromaticContact CD2-CD1 3.7Å; Y94-F111 HydrophobicContact CD2-CD1 3.7Å; Y94-F111 HydrophobicContact CD2-CE1 4.34Å; Y94-F111 HydrophobicContact CE1-CD1 4.29Å; Y94-F111 HydrophobicContact CE2-CB 4.42Å; Y94-F111 HydrophobicContact CE2-CD1 4.09Å; Y94-F111 AromaticContact CG-CD1 3.58Å; Y94-F111 HydrophobicContact CG-CD1 3.58Å; Y94-F111 AromaticContact CG-CE1 3.91Å; Y94-F111 HydrophobicContact CG-CE1 3.91Å; E97-F111 HydrophobicContact CB-CE1 4.24Å; E97-F111 HydrophobicContact CB-CZ 4.07Å; I98-F111 HydrophobicContact CG2-CE1 4.23Å; L106-F111 HydrophobicContact CD2-CZ 4.11Å; G109-F111 WeakPolarHBondContact O-CD2 3.39Å; G109-F111 VanDerWaalsContact O-CE2 3.32Å; G109-F111 WeakPolarHBondContact O-CE2 3.33Å; G109-F111 PolarHBondContact O-N 2.95Å; F111-F113 VanDerWaalsContact C-N 3.33Å; F111-F113 PolarHBondContact O-N 3.43Å
112D87.3Confident82.2Confident88 Ų8866.2 Ų66.247%0.47135%0.349SS..  trans-70.886.9170.7177.426.9000111.9K93 Y94 T110 Q114K93-D112 PolarHBondContact NZ-O 2.87Å; Y94-D112 PolarHBondContact OH-N 3.25Å; Y94-D112 PolarHBondContact OH-O 3.21Å; T110-D112 VanDerWaalsContact C-N 3.32Å; T110-D112 PolarHBondContact O-N 3.05Å; D112-Q114 WeakPolarHBondContact OD1-CB 3.45Å; D112-Q114 PolarHBondContact OD1-N 3.11Å; D112-Q114 VanDerWaalsContact OD1-N 3.12Å
113F91.1Very high83.2Confident0 Ų068.8 Ų68.80%036%0.355CS..  trans-100.45.3174.6-158.8-108.5000113.2W16 V86 L89 F90 K93 Y94 F111 N115 D116 F117 L120W16-F113 HydrophobicContact CD2-CB 4.01Å; W16-F113 HydrophobicContact CD2-CD1 4.45Å; W16-F113 HydrophobicContact CE3-CD1 4.42Å; W16-F113 HydrophobicContact CG-CB 3.98Å; W16-F113 HydrophobicContact CH2-CD1 4.42Å; W16-F113 HydrophobicContact CZ2-CD1 4.44Å; W16-F113 HydrophobicContact CZ3-CD1 4.4Å; V86-F113 HydrophobicContact CB-CE1 4.48Å; V86-F113 HydrophobicContact CG1-CE1 3.82Å; V86-F113 HydrophobicContact CG1-CZ 4.38Å; V86-F113 HydrophobicContact CG2-CE1 4.33Å; L89-F113 HydrophobicContact CB-CE2 4.32Å; L89-F113 HydrophobicContact CB-CZ 4.13Å; L89-F113 HydrophobicContact CD2-CE2 4.12Å; L89-F113 HydrophobicContact CD2-CZ 4.06Å; L89-F113 HydrophobicContact CG-CE2 3.97Å; L89-F113 HydrophobicContact CG-CZ 4.14Å; F90-F113 HydrophobicContact CB-CE2 4.06Å; F90-F113 HydrophobicContact CB-CZ 4.11Å; F90-F113 HydrophobicContact CD2-CB 4.15Å; F90-F113 HydrophobicContact CD2-CD1 4.07Å; F90-F113 AromaticContact CD2-CD2 3.78Å; F90-F113 HydrophobicContact CD2-CD2 3.78Å; F90-F113 HydrophobicContact CD2-CE1 4.45Å; F90-F113 HydrophobicContact CD2-CE2 4.15Å; F90-F113 AromaticContact CD2-CG 3.73Å; F90-F113 HydrophobicContact CD2-CG 3.73Å; F90-F113 HydrophobicContact CD2-CZ 4.47Å; F90-F113 HydrophobicContact CE2-CB 4.21Å; F90-F113 HydrophobicContact CE2-CG 4.29Å; K93-F113 HydrophobicContact CD-CD2 4.25Å; Y94-F113 HydrophobicContact CE2-CB 4.23Å; Y94-F113 AromaticContact CE2-CD2 3.82Å; Y94-F113 HydrophobicContact CE2-CD2 3.82Å; Y94-F113 HydrophobicContact CE2-CG 4.4Å; Y94-F113 PolarHBondContact OH-N 3.26Å; F111-F113 VanDerWaalsContact C-N 3.33Å; F111-F113 PolarHBondContact O-N 3.43Å; F113-N115 PolarHBondContact O-N 2.67Å; F113-D116 HydrophobicContact CD2-CB 3.86Å; F113-D116 HydrophobicContact CE1-CB 4.43Å; F113-D116 HydrophobicContact CE2-CB 3.72Å; F113-D116 HydrophobicContact CG-CB 4.31Å; F113-D116 HydrophobicContact CZ-CB 4.03Å; F113-D116 PolarHBondContact O-N 2.96Å; F113-F117 HydrophobicContact CD1-CB 3.91Å; F113-F117 HydrophobicContact CE1-CB 4.08Å; F113-F117 WeakPolarHBondContact O-CB 3.46Å; F113-F117 PolarHBondContact O-N 3.18Å; F113-L120 HydrophobicContact CZ-CD1 4.33Å
114Q88.4Confident84.1Confident67 Ų6766 Ų6631%0.31333%0.332SS..Hα-helixtrans-64.4-46-169.7-174.968.1-8.100112.2D112 L118D112-Q114 WeakPolarHBondContact OD1-CB 3.45Å; D112-Q114 PolarHBondContact OD1-N 3.11Å; D112-Q114 VanDerWaalsContact OD1-N 3.12Å; Q114-L118 HydrophobicContact CG-CD1 4.24Å; Q114-L118 WeakPolarHBondContact O-CB 3.14Å; Q114-L118 VanDerWaalsContact O-CG 3.3Å; Q114-L118 WeakPolarHBondContact O-CG 3.41Å; Q114-L118 PolarHBondContact O-N 3.5Å
115N88.8Confident84.8Confident113 Ų11362.9 Ų62.960%0.60431%0.314SS*.Hα-helixtrans-67.5-37.6179.9-66.9-64.7000112.5F113 R119F113-N115 PolarHBondContact O-N 2.67Å; N115-R119 WeakPolarHBondContact O-CB 3.46Å; N115-R119 PolarHBondContact O-N 2.93Å
116D90.9Very high85.4Confident26 Ų2666.1 Ų66.114%0.13933%0.327CS..Hα-helixtrans-69.4-43.3177-75.7-52.6000112L89 K93 F113 R119 L120L89-D116 HydrophobicContact CD2-CB 3.91Å; K93-D116 IonicContact NZ-OD2 2.74Å; K93-D116 PolarHBondContact NZ-OD2 2.98Å; F113-D116 HydrophobicContact CD2-CB 3.86Å; F113-D116 HydrophobicContact CE1-CB 4.43Å; F113-D116 HydrophobicContact CE2-CB 3.72Å; F113-D116 HydrophobicContact CG-CB 4.31Å; F113-D116 HydrophobicContact CZ-CB 4.03Å; F113-D116 PolarHBondContact O-N 2.96Å; D116-R119 WeakPolarHBondContact O-CB 3.49Å; D116-R119 PolarHBondContact O-N 2.89Å; D116-R119 IonicContact OD1-CZ 2.68Å; D116-R119 IonicContact OD1-NE 2.72Å; D116-R119 IonicContact OD1-NH2 3.32Å; D116-R119 PolarHBondContact OD1-NH2 2.79Å; D116-L120 WeakPolarHBondContact O-CG 3.4Å; D116-L120 PolarHBondContact O-N 3.09Å
117F91.7Very high85.8Confident0 Ų067 Ų670%034%0.335CS..Hα-helixtrans-63.2-45.6175.6-178.3-98.8000112.3L2 F5 W16 F18 L82 V86 F113 R119 L120 L121L2-F117 HydrophobicContact CD1-CZ 4.33Å; F5-F117 HydrophobicContact CB-CE1 4.49Å; F5-F117 HydrophobicContact CB-CE2 3.84Å; F5-F117 HydrophobicContact CB-CZ 3.66Å; F5-F117 HydrophobicContact CD1-CE2 4.27Å; F5-F117 AromaticContact CD2-CE2 3.54Å; F5-F117 HydrophobicContact CD2-CE2 3.54Å; F5-F117 AromaticContact CD2-CZ 3.91Å; F5-F117 HydrophobicContact CD2-CZ 3.91Å; F5-F117 HydrophobicContact CE2-CE2 4.1Å; F5-F117 AromaticContact CG-CE2 3.64Å; F5-F117 HydrophobicContact CG-CE2 3.64Å; F5-F117 AromaticContact CG-CZ 3.96Å; F5-F117 HydrophobicContact CG-CZ 3.96Å; W16-F117 HydrophobicContact CH2-CB 3.55Å; W16-F117 AromaticContact CH2-CD1 3.72Å; W16-F117 HydrophobicContact CH2-CD1 3.72Å; W16-F117 AromaticContact CH2-CD2 3.5Å; W16-F117 HydrophobicContact CH2-CD2 3.5Å; W16-F117 HydrophobicContact CH2-CE1 4.28Å; W16-F117 HydrophobicContact CH2-CE2 4.1Å; W16-F117 AromaticContact CH2-CG 3.29Å; W16-F117 HydrophobicContact CH2-CG 3.29Å; W16-F117 HydrophobicContact CH2-CZ 4.45Å; W16-F117 HydrophobicContact CZ2-CB 3.63Å; W16-F117 HydrophobicContact CZ2-CD1 4.16Å; W16-F117 HydrophobicContact CZ2-CD2 4.44Å; W16-F117 AromaticContact CZ2-CG 3.84Å; W16-F117 HydrophobicContact CZ2-CG 3.84Å; W16-F117 HydrophobicContact CZ3-CD2 4.07Å; W16-F117 HydrophobicContact CZ3-CG 4.28Å; F18-F117 HydrophobicContact CB-CD1 3.99Å; F18-F117 HydrophobicContact CB-CE1 3.85Å; F18-F117 HydrophobicContact CB-CZ 4.47Å; F18-F117 HydrophobicContact CD1-CD1 4.33Å; F18-F117 AromaticContact CD1-CE1 3.51Å; F18-F117 HydrophobicContact CD1-CE1 3.51Å; F18-F117 HydrophobicContact CD1-CZ 4.16Å; F18-F117 AromaticContact CD2-CD1 3.78Å; F18-F117 HydrophobicContact CD2-CD1 3.78Å; F18-F117 AromaticContact CD2-CE1 3.77Å; F18-F117 HydrophobicContact CD2-CE1 3.77Å; F18-F117 AromaticContact CE1-CE1 3.96Å; F18-F117 HydrophobicContact CE1-CE1 3.96Å; F18-F117 HydrophobicContact CE2-CD1 4.36Å; F18-F117 HydrophobicContact CE2-CE1 4.19Å; F18-F117 AromaticContact CG-CD1 3.77Å; F18-F117 HydrophobicContact CG-CD1 3.77Å; F18-F117 AromaticContact CG-CE1 3.41Å; F18-F117 HydrophobicContact CG-CE1 3.41Å; F18-F117 VanDerWaalsContact CG-CE1 3.41Å; F18-F117 HydrophobicContact CG-CZ 4.3Å; F18-F117 HydrophobicContact CZ-CE1 4.28Å; L82-F117 HydrophobicContact CD2-CE2 4.45Å; V86-F117 HydrophobicContact CG2-CD2 3.77Å; V86-F117 HydrophobicContact CG2-CE2 4.05Å; F113-F117 HydrophobicContact CD1-CB 3.91Å; F113-F117 HydrophobicContact CE1-CB 4.08Å; F113-F117 WeakPolarHBondContact O-CB 3.46Å; F113-F117 PolarHBondContact O-N 3.18Å; F117-R119 PolarHBondContact O-N 2.72Å; F117-L120 PolarHBondContact O-N 2.83Å; F117-L121 HydrophobicContact CE1-CB 4.29Å; F117-L121 HydrophobicContact CE1-CD2 3.9Å; F117-L121 HydrophobicContact CZ-CD2 4.46Å; F117-L121 VanDerWaalsContact O-CB 3.29Å; F117-L121 WeakPolarHBondContact O-CB 3.37Å; F117-L121 PolarHBondContact O-N 2.7Å
118L89.4Confident86Confident69 Ų6963.3 Ų63.336%0.36132%0.319SS..Hα-helixtrans-61.4-32.2177.9-74.8171.8000112.6F18 Q114 R122F18-L118 HydrophobicContact CE2-CD2 3.85Å; Q114-L118 HydrophobicContact CG-CD1 4.24Å; Q114-L118 WeakPolarHBondContact O-CB 3.14Å; Q114-L118 VanDerWaalsContact O-CG 3.3Å; Q114-L118 WeakPolarHBondContact O-CG 3.41Å; Q114-L118 PolarHBondContact O-N 3.5Å; L118-R122 WeakPolarHBondContact O-CB 3.46Å; L118-R122 PolarHBondContact O-N 2.97Å
119R92.9Very high86Confident142 Ų14262.5 Ų62.554%0.53631%0.31SS..Hα-helixtrans-67.7-52.2172.1173.8169.962.4123.2-7.2111.5N115 D116 F117 L121 R122 E123N115-R119 WeakPolarHBondContact O-CB 3.46Å; N115-R119 PolarHBondContact O-N 2.93Å; D116-R119 WeakPolarHBondContact O-CB 3.49Å; D116-R119 PolarHBondContact O-N 2.89Å; D116-R119 IonicContact OD1-CZ 2.68Å; D116-R119 IonicContact OD1-NE 2.72Å; D116-R119 IonicContact OD1-NH2 3.32Å; D116-R119 PolarHBondContact OD1-NH2 2.79Å; F117-R119 PolarHBondContact O-N 2.72Å; R119-L121 PolarHBondContact O-N 2.89Å; R119-R122 PolarHBondContact O-N 3.19Å; R119-E123 PolarHBondContact O-N 3.49Å
120L91.9Very high85.5Confident16 Ų1668.6 Ų68.68%0.08434%0.336CS..Hα-helixtrans-63.4-40.1179.3-70.8178.1000112.8L82 D85 V86 L89 F113 D116 F117 E123 A124L82-L120 HydrophobicContact CD1-CB 3.94Å; D85-L120 HydrophobicContact CB-CD1 4.47Å; D85-L120 HydrophobicContact CB-CD2 4.22Å; V86-L120 HydrophobicContact CB-CD1 4.41Å; V86-L120 HydrophobicContact CG2-CB 4.42Å; V86-L120 HydrophobicContact CG2-CD1 3.72Å; L89-L120 HydrophobicContact CB-CD1 4.22Å; L89-L120 HydrophobicContact CD2-CD1 3.75Å; L89-L120 HydrophobicContact CD2-CG 4.23Å; F113-L120 HydrophobicContact CZ-CD1 4.33Å; D116-L120 WeakPolarHBondContact O-CG 3.4Å; D116-L120 PolarHBondContact O-N 3.09Å; F117-L120 PolarHBondContact O-N 2.83Å; L120-E123 PolarHBondContact O-N 3.42Å; L120-A124 WeakPolarHBondContact O-CB 3.42Å; L120-A124 PolarHBondContact O-N 2.96Å
121L89.4Confident84.5Confident19 Ų1973 Ų7310%0.09934%0.339CS..Hα-helixtrans-60.9-46176175.457.4000111.1L2 F18 Y78 L82 F117 R119 A124 E125L2-L121 HydrophobicContact CD1-CD1 3.82Å; L2-L121 HydrophobicContact CG-CD1 4.33Å; F18-L121 HydrophobicContact CZ-CD2 4.36Å; Y78-L121 HydrophobicContact CE2-CD1 4.3Å; L82-L121 HydrophobicContact CD2-CD1 3.84Å; F117-L121 HydrophobicContact CE1-CB 4.29Å; F117-L121 HydrophobicContact CE1-CD2 3.9Å; F117-L121 HydrophobicContact CZ-CD2 4.46Å; F117-L121 VanDerWaalsContact O-CB 3.29Å; F117-L121 WeakPolarHBondContact O-CB 3.37Å; F117-L121 PolarHBondContact O-N 2.7Å; R119-L121 PolarHBondContact O-N 2.89Å; L121-A124 PolarHBondContact O-N 3.01Å; L121-E125 HydrophobicContact CD1-CG 4.13Å; L121-E125 WeakPolarHBondContact O-CB 3.36Å; L121-E125 WeakPolarHBondContact O-CG 3.5Å; L121-E125 PolarHBondContact O-N 3.31Å
122R88.6Confident82.9Confident174 Ų17475.2 Ų75.266%0.65736%0.36SS*.Hα-helixtrans-62.6-44.4176.8-169.3-176.4-58.9167.53.3111.5L118 R119 E125 E126L118-R122 WeakPolarHBondContact O-CB 3.46Å; L118-R122 PolarHBondContact O-N 2.97Å; R119-R122 PolarHBondContact O-N 3.19Å; R122-E125 PolarHBondContact O-N 2.91Å; R122-E126 WeakPolarHBondContact O-CG 3.23Å; R122-E126 PolarHBondContact O-N 2.99Å
123E90.1Very high81Confident107 Ų10776.8 Ų76.850%0.538%0.375SS..Hα-helixtrans-61.7-44.4176.6-169-172136.600111.9R119 L120 E126 S127R119-E123 PolarHBondContact O-N 3.49Å; L120-E123 PolarHBondContact O-N 3.42Å; E123-E126 PolarHBondContact O-N 3.4Å; E123-S127 VanDerWaalsContact O-CB 3.31Å; E123-S127 WeakPolarHBondContact O-CB 3.17Å; E123-S127 PolarHBondContact O-N 2.76Å; E123-S127 PolarHBondContact O-OG 3.13Å
124A86.8Confident78.9Confident2 Ų283.3 Ų83.32%0.01742%0.415CS..Hα-helixtrans-61.6-44.7176.300000111.7Y78 L82 L120 L121 S127 S128Y78-A124 HydrophobicContact CD2-CB 4.03Å; L82-A124 HydrophobicContact CB-CB 4.14Å; L82-A124 HydrophobicContact CD1-CB 4.01Å; L82-A124 HydrophobicContact CG-CB 4.49Å; L120-A124 WeakPolarHBondContact O-CB 3.42Å; L120-A124 PolarHBondContact O-N 2.96Å; L121-A124 PolarHBondContact O-N 3.01Å; A124-S127 PolarHBondContact O-N 2.96Å; A124-S127 PolarHBondContact O-OG 3.43Å; A124-S128 PolarHBondContact O-N 3.12Å
125E85.7Confident77Confident50 Ų5086.4 Ų86.423%0.23444%0.438CS..Hα-helixtrans-65-44.4176.8-72.8-168.6161.400112.5Y78 L121 R122 S128 K129Y78-E125 HydrophobicContact CD2-CG 4.49Å; Y78-E125 HydrophobicContact CE1-CG 4.38Å; Y78-E125 HydrophobicContact CE2-CG 3.77Å; Y78-E125 PolarHBondContact OH-OE1 3.16Å; L121-E125 HydrophobicContact CD1-CG 4.13Å; L121-E125 WeakPolarHBondContact O-CB 3.36Å; L121-E125 WeakPolarHBondContact O-CG 3.5Å; L121-E125 PolarHBondContact O-N 3.31Å; R122-E125 PolarHBondContact O-N 2.91Å; E125-S128 WeakPolarHBondContact O-CB 3.42Å; E125-S128 PolarHBondContact O-N 2.99Å; E125-S128 PolarHBondContact O-OG 3.4Å; E125-K129 WeakPolarHBondContact O-CG 3.39Å; E125-K129 PolarHBondContact O-N 3.11Å; E125-K129 VanDerWaalsContact O-N 3.12Å
126E86.6Confident75.5Confident83 Ų8389.7 Ų89.739%0.38845%0.452SS..Hα-helixtrans-62.4-42.2173.4-66.8-47.1134.400112.1R122 E123 S128 K129 I130R122-E126 WeakPolarHBondContact O-CG 3.23Å; R122-E126 PolarHBondContact O-N 2.99Å; E123-E126 PolarHBondContact O-N 3.4Å; E126-S128 PolarHBondContact O-N 3.22Å; E126-K129 PolarHBondContact O-N 2.95Å; E126-K129 VanDerWaalsContact O-N 3.09Å; E126-K129 IonicContact OE1-NZ 2.7Å; E126-K129 PolarHBondContact OE1-NZ 2.7Å; E126-K129 WeakPolarHBondContact OE2-CD 2.9Å; E126-K129 IonicContact OE2-NZ 3.66Å; E126-I130 WeakPolarHBondContact O-CG1 3.41Å; E126-I130 PolarHBondContact O-N 3.25Å
127S81.7Confident74.2Confident44 Ų4497 Ų9731%0.30848%0.483SS..Hα-helixtrans-61.3-28.1176.381.60000112.7E123 A124 R131E123-S127 VanDerWaalsContact O-CB 3.31Å; E123-S127 WeakPolarHBondContact O-CB 3.17Å; E123-S127 PolarHBondContact O-N 2.76Å; E123-S127 PolarHBondContact O-OG 3.13Å; A124-S127 PolarHBondContact O-N 2.96Å; A124-S127 PolarHBondContact O-OG 3.43Å; S127-R131 WeakPolarHBondContact O-CB 3.38Å; S127-R131 PolarHBondContact O-N 2.98Å
128S77.3Confident73Confident37 Ų37103.7 Ų103.726%0.25951%0.512SS..Hα-helixtrans-75.4-39174.182.20000112.6A124 E125 E126 R131A124-S128 PolarHBondContact O-N 3.12Å; E125-S128 WeakPolarHBondContact O-CB 3.42Å; E125-S128 PolarHBondContact O-N 2.99Å; E125-S128 PolarHBondContact O-OG 3.4Å; E126-S128 PolarHBondContact O-N 3.22Å; S128-R131 PolarHBondContact O-N 3.32Å
129K75.1Confident71.4Confident114 Ų114108.1 Ų108.150%0.49653%0.529SS..Hα-helixtrans-66.8-44177.5-64.7166.5-161.8172.80111.5E125 E126 R131 A132E125-K129 WeakPolarHBondContact O-CG 3.39Å; E125-K129 PolarHBondContact O-N 3.11Å; E125-K129 VanDerWaalsContact O-N 3.12Å; E126-K129 PolarHBondContact O-N 2.95Å; E126-K129 VanDerWaalsContact O-N 3.09Å; E126-K129 IonicContact OE1-NZ 2.7Å; E126-K129 PolarHBondContact OE1-NZ 2.7Å; E126-K129 WeakPolarHBondContact OE2-CD 2.9Å; E126-K129 IonicContact OE2-NZ 3.66Å; K129-R131 PolarHBondContact O-N 2.89Å; K129-A132 WeakPolarHBondContact O-CB 3.37Å; K129-A132 PolarHBondContact O-N 2.91Å; K129-A132 VanDerWaalsContact O-N 3.15Å
130I62.7Low69.8Low145 Ų145107.9 Ų107.974%0.74453%0.534SS*.Hα-helixtrans-61.3-25176.3-65.9164.3000111.5E126E126-I130 WeakPolarHBondContact O-CG1 3.41Å; E126-I130 PolarHBondContact O-N 3.25Å
131R56Low68.4Low221 Ų221112.3 Ų112.383%0.83456%0.558SS**THydrogen-bonded Turntrans-95.316.1-179.8-141.8174.6-167.2-177.33.4114.1S127 S128 K129S127-R131 WeakPolarHBondContact O-CB 3.38Å; S127-R131 PolarHBondContact O-N 2.98Å; S128-R131 PolarHBondContact O-N 3.32Å; K129-R131 PolarHBondContact O-N 2.89Å
132A47.7Very low67.5Low62 Ų62113.6 Ų113.651%0.51257%0.568SS.*SBendtrans-53.6146.7166.800000110.9K129 T134K129-A132 WeakPolarHBondContact O-CB 3.37Å; K129-A132 PolarHBondContact O-N 2.91Å; K129-A132 VanDerWaalsContact O-N 3.15Å; A132-T134 PolarHBondContact O-N 3.48Å
133P47.8Very low66.2Low122 Ų122112.7 Ų112.779%0.79257%0.571SS**  trans-62.9122.6-173.925.2-34.2000110.6T135P133-T135 PolarHBondContact O-N 3.33Å
134T48Very low64.6Low137 Ų137115.7 Ų115.784%0.8458%0.583SS**  trans-57.9110.8172.8520000109A132 M136A132-T134 PolarHBondContact O-N 3.48Å; T134-M136 PolarHBondContact O-N 3.13Å; T134-M136 VanDerWaalsContact O-N 3.13Å
135T48Very low63.1Low131 Ų131116.7 Ų116.780%0.80459%0.591SS**PPolyproline II helixtrans-53.2121.4173.149.10000108.7P133 K137P133-T135 PolarHBondContact O-N 3.33Å; T135-K137 PolarHBondContact O-N 3.45Å; T135-K137 VanDerWaalsContact O-N 3.12Å
136M57.7Low61.6Low182 Ų182121.2 Ų121.290%0.89761%0.61SS**PPolyproline II helixtrans-54.4122.3179.9-75.3-175.6-84.300109.2T134 K138T134-M136 PolarHBondContact O-N 3.13Å; T134-M136 VanDerWaalsContact O-N 3.13Å; M136-K138 PolarHBondContact O-N 3.2Å
137K62.6Low60.3Low180 Ų180124.6 Ų124.678%0.78362%0.623SS**PPolyproline II helixtrans-53.2137.7175.9-68.1-171.9175.8-172.40109T135 D141T135-K137 PolarHBondContact O-N 3.45Å; T135-K137 VanDerWaalsContact O-N 3.12Å; K137-D141 HydrophobicContact CB-CB 4.41Å
138K67.3Low58.8Low141 Ų141126.1 Ų126.161%0.61363%0.632SS**PPolyproline II helixtrans-62.3151175.7-71.7-174175.5-175.60108.9M136 E140 D141M136-K138 PolarHBondContact O-N 3.2Å; K138-E140 HydrophobicContact CB-CB 4.5Å; K138-E140 WeakPolarHBondContact CD-OE2 3.21Å; K138-E140 PolarHBondContact O-N 3.15Å; K138-E140 VanDerWaalsContact O-N 3.11Å; K138-D141 PolarHBondContact N-OD2 3.49Å; K138-D141 WeakPolarHBondContact O-CB 3.25Å; K138-D141 PolarHBondContact O-N 2.91Å
139F55Low57.4Low161 Ų161129.6 Ų129.671%0.70665%0.652SS**G310 helixtrans-55.7-31.7178.7-177.7-99.5000112.2D141 S142 A145F139-D141 VanDerWaalsContact C-N 3.3Å; F139-D141 PolarHBondContact O-N 3.34Å; F139-S142 VanDerWaalsContact O-CB 3.25Å; F139-S142 WeakPolarHBondContact O-CB 3.48Å; F139-S142 PolarHBondContact O-N 3.28Å; F139-S142 VanDerWaalsContact O-N 3.16Å; F139-A145 HydrophobicContact CD1-CB 4.04Å; F139-A145 HydrophobicContact CE1-CB 3.81Å; F139-A145 HydrophobicContact CZ-CB 4.39Å; F139-A145 WeakPolarHBondContact O-CB 3.49Å
140E60.4Low56.1Low138 Ų138135 Ų13565%0.64567%0.669SS**G310 helixtrans-60.4-32.7176.5-60.4163.3141.300113.3K138 S142K138-E140 HydrophobicContact CB-CB 4.5Å; K138-E140 WeakPolarHBondContact CD-OE2 3.21Å; K138-E140 PolarHBondContact O-N 3.15Å; K138-E140 VanDerWaalsContact O-N 3.11Å; E140-S142 VanDerWaalsContact C-N 3.25Å; E140-S142 PolarHBondContact O-N 3.27Å
141D62.3Low55.6Low109 Ų109132.2 Ų132.258%0.58366%0.663SS**G310 helixtrans-80-4.6178.8-58.7-51.7000113.1K137 K138 F139K137-D141 HydrophobicContact CB-CB 4.41Å; K138-D141 PolarHBondContact N-OD2 3.49Å; K138-D141 WeakPolarHBondContact O-CB 3.25Å; K138-D141 PolarHBondContact O-N 2.91Å; F139-D141 VanDerWaalsContact C-N 3.3Å; F139-D141 PolarHBondContact O-N 3.34Å
142S70.3Confident55.2Low46 Ų46130 Ų13032%0.32266%0.664SS.*SBendtrans-86.8129.1179.5-173.80000111.1F139 E140 K144 A145F139-S142 VanDerWaalsContact O-CB 3.25Å; F139-S142 WeakPolarHBondContact O-CB 3.48Å; F139-S142 PolarHBondContact O-N 3.28Å; F139-S142 VanDerWaalsContact O-N 3.16Å; E140-S142 VanDerWaalsContact C-N 3.25Å; E140-S142 PolarHBondContact O-N 3.27Å; S142-K144 PolarHBondContact O-N 3.2Å; S142-A145 WeakPolarHBondContact O-CB 3.48Å; S142-A145 PolarHBondContact O-N 2.93Å
143E60.6Low55.4Low154 Ų154133.7 Ų133.772%0.7267%0.674SS**THydrogen-bonded Turntrans-59.1-18.5175.4-65-148.3125.500113.9A145 K146E143-A145 VanDerWaalsContact C-N 3.3Å; E143-A145 PolarHBondContact O-N 2.98Å; E143-K146 PolarHBondContact O-N 2.71Å
144K57.7Low55.1Low170 Ų170136.8 Ų136.874%0.73968%0.677SS**THydrogen-bonded Turntrans-66.5-31172.5-64-175.9179.7-179.90112.2S142 K146 K147S142-K144 PolarHBondContact O-N 3.2Å; K144-K146 VanDerWaalsContact C-N 3.31Å; K144-K146 PolarHBondContact O-N 3.46Å; K144-K147 PolarHBondContact O-N 2.92Å
145A55.8Low54.6Low24 Ų24136.8 Ų136.820%0.19868%0.677CS.*THydrogen-bonded Turntrans-73.7-18.717800000113.6F139 S142 E143 K147 P148F139-A145 HydrophobicContact CD1-CB 4.04Å; F139-A145 HydrophobicContact CE1-CB 3.81Å; F139-A145 HydrophobicContact CZ-CB 4.39Å; F139-A145 WeakPolarHBondContact O-CB 3.49Å; S142-A145 WeakPolarHBondContact O-CB 3.48Å; S142-A145 PolarHBondContact O-N 2.93Å; E143-A145 VanDerWaalsContact C-N 3.3Å; E143-A145 PolarHBondContact O-N 2.98Å; A145-K147 VanDerWaalsContact C-N 3.35Å; A145-P148 WeakPolarHBondContact O-CD 3.18Å
146K54.3Low53.9Low145 Ų145142.9 Ų142.963%0.6369%0.686SS**THydrogen-bonded Turntrans-82.6-7.4177.5-65.6-179.3-179.2173.60114.1E143 K144E143-K146 PolarHBondContact O-N 2.71Å; K144-K146 VanDerWaalsContact C-N 3.31Å; K144-K146 PolarHBondContact O-N 3.46Å
147K58.1Low52.6Low154 Ų154137.5 Ų137.567%0.6768%0.677SS**Hα-helixtrans-81.8-41.7-176.4-65-167.9176.2-172.10116.4K144 A145 V149 R150 S151K144-K147 PolarHBondContact O-N 2.92Å; A145-K147 VanDerWaalsContact C-N 3.35Å; K147-V149 PolarHBondContact O-N 3.12Å; K147-R150 PolarHBondContact O-N 2.85Å; K147-S151 PolarHBondContact O-OG 2.93Å
148P50.6Low51.1Low75 Ų75138.7 Ų138.749%0.48769%0.685SS.*Hα-helixtrans-68.1-31.5-173.825.9-34.7000114A145 R150 S151A145-P148 WeakPolarHBondContact O-CD 3.18Å; P148-R150 VanDerWaalsContact C-N 3.31Å; P148-R150 PolarHBondContact O-N 3.38Å; P148-S151 WeakPolarHBondContact CA-OG 3.26Å; P148-S151 PolarHBondContact O-N 3.38Å; P148-S151 PolarHBondContact O-OG 2.88Å
149V47.3Very low49.6Very low111 Ų111141.4 Ų141.467%0.67370%0.697SS**Hα-helixtrans-66.3-35178.1-175.80000111.3K147 S151 M152K147-V149 PolarHBondContact O-N 3.12Å; V149-S151 VanDerWaalsContact C-N 3.33Å; V149-S151 PolarHBondContact O-N 3.49Å; V149-M152 PolarHBondContact O-N 2.98Å
150R48.9Very low48.9Very low226 Ų226139.4 Ų139.485%0.85370%0.7SS**Hα-helixtrans-80.2-13.3-177.2-139.9175.1-170.3176.22.5113.6K147 P148K147-R150 PolarHBondContact O-N 2.85Å; P148-R150 VanDerWaalsContact C-N 3.31Å; P148-R150 PolarHBondContact O-N 3.38Å
151S50.8Low47.4Very low88 Ų88141.5 Ų141.562%0.61571%0.707SS**THydrogen-bonded Turntrans-95.62.1174.449.30000114.3K147 P148 V149K147-S151 PolarHBondContact O-OG 2.93Å; P148-S151 WeakPolarHBondContact CA-OG 3.26Å; P148-S151 PolarHBondContact O-N 3.38Å; P148-S151 PolarHBondContact O-OG 2.88Å; V149-S151 VanDerWaalsContact C-N 3.33Å; V149-S151 PolarHBondContact O-N 3.49Å
152M47.2Very low46Very low173 Ų173142.7 Ų142.785%0.85271%0.709SS**SBendtrans-91.80.8175.8-97.6-177.7161.900114V149V149-M152 PolarHBondContact O-N 2.98Å
153I53.1Low44Very low141 Ų141148.8 Ų148.872%0.72373%0.73SS**  trans-123.978.2-178.9-49.3179.1000109.5
154E40.4Very low42.4Very low187 Ų187146 Ų14687%0.87473%0.733SS**  trans-108108.2162.1-77.4-165159.600110
155T38.8Very low41.1Very low137 Ų137146.9 Ų146.984%0.8474%0.737SS**  trans-78.1133.7164.23.70000109.5G157T155-G157 PolarHBondContact O-N 3.44Å
156R33.5Very low39.8Very low259 Ų259153 Ų15398%0.97777%0.766SS**  trans-57.9130.5-179.9-72.1172.9163.2176-6.3112.2
157G30.5Very low38.5Very low69 Ų69150.4 Ų150.471%0.71177%0.766SS**  trans-174.579.4174.800000117.7T155T155-G157 PolarHBondContact O-N 3.44Å
158E30.9Very low37.2Very low205 Ų205151.9 Ų151.996%0.95877%0.773SS**  trans61.6-179.6150.1-52.1-155.9119.100121.7
159K34.8Very low36.1Very low198 Ų198157.1 Ų157.186%0.86179%0.788SS**  trans-147.7148.7-169.2-64.5178.1179.6174.20112.1
160P40.6Very low35.2Very low119 Ų119161.2 Ų161.277%0.77380%0.797SS**  -134.2160.9112.213.69.1000111.9
161K29.9Very low34.2Very low181 Ų181153.7 Ų153.779%0.78779%0.789SS**  66.5138.551.7-69.6-173.1170.7-1710113.5
162E31Very low33.3Very low135 Ų135154.3 Ų154.363%0.63180%0.8SS**  cis-154.7-174.65.2-130.2177.8128.200116.5
163K28.5Very low32.4Very low174 Ų174155.5 Ų155.576%0.75780%0.8SS**  trans-73.3159.6-162.6-43.1125.6179.2167.30118.4
164A28.1Very low31.2Very low95 Ų95156.7 Ų156.779%0.78580%0.8SS**  -165.6115.6127.300000111
165K29Very low30.5Very low188 Ų188155.3 Ų155.382%0.81779%0.794SS**  59.710283.5-82.7-172.7175.8179.90115.2
166N28.5Very low30Very low153 Ų153151.9 Ų151.982%0.81879%0.785SS**  82.3135.792.7-95.4-10.4000114.4
167S28.8Very low29.7Very low90 Ų90145.1 Ų145.163%0.62978%0.778SS**  cis-159-156.46.450.70000109.1
168K29.6Very low29.6Very low185 Ų185149.9 Ų149.980%0.80479%0.787SS**  cis-168.5145.421.5-138.3167.1-167.6175.10110.9
169K28.1Very low29.4Very low186 Ų186143.3 Ų143.381%0.80977%0.774SS**  trans14.1149.5145.8-67.9179.1178.7176.50120.6
170K29.2Very low29.9Very low197 Ų197139.5 Ų139.586%0.85777%0.77SS**  cis-170.2158.516.1-124.7174.6175.5-168.50108.2
171G27.9Very low29.3Very low67 Ų67142.7 Ų142.769%0.69178%0.779SS**  cis154.3159.7-11.900000114.5
172A31.5Very low29.2Very low102 Ų102137.9 Ų137.984%0.84377%0.773SS**  trans69.4148.6170.900000116.9
173K28.7Very low28.9Very low197 Ų197137.7 Ų137.786%0.85778%0.781SS**  cis-161.8166.6-1.7-124.7179.5-177.4-178.60105.4
174K26.9Very low28.7Very low167 Ų167134.6 Ų134.673%0.72678%0.782SS**  cis-154.9154.9-5.5-156.9-156.8164.2-153.50102.2
175E26.3Very low28.6Very low158 Ų158140.1 Ų140.174%0.73879%0.788SS**  cis-151.9164.635.7-73.9-179.1156.200110.8
176G27.9Very low28.5Very low64 Ų64135.4 Ų135.466%0.6678%0.784SS**  trans-153.2148.4162.300000109
177S27.8Very low28.6Very low117 Ų117134 Ų13482%0.81878%0.78SS**  cis77.277.83286.60000114.1
178D28Very low28.5Very low170 Ų170135.9 Ų135.991%0.90979%0.79SS**  trans-135.1142.5158.2-98.1-44.7000108.8
179G26.7Very low28.3Very low66 Ų66131.3 Ų131.368%0.6879%0.788SS**  trans-110.5-141.5163.200000108.9
180P45.1Very low28.3Very low119 Ų119131.9 Ų131.977%0.77379%0.793SS**  cis-130.1167.3-18.239.9-27000112.2
181L28.2Very low28.1Very low186 Ų186131.8 Ų131.897%0.97479%0.793SS**  trans-160.4169.9144-135.468.9000111.6
182A26.7Very low28.1Very low79 Ų79134.3 Ų134.365%0.65380%0.799SS**  trans-115.2150.7-163.800000114.7
183T24.8Very low27.9Very low131 Ų131133 Ų13380%0.80480%0.797SS**  trans65.9132.3149.548.10000121.7
184S25.3Very low27.9Very low110 Ų110131.8 Ų131.877%0.76980%0.798SS**  trans73.4116.3151.674.20000119.1
185K26.3Very low28Very low211 Ų211129.6 Ų129.692%0.91780%0.801SS**  -157.7154.1102.6-105.6170.4-177.3177.60111.2
186A25.6Very low28.2Very low88 Ų88129 Ų12973%0.72781%0.808SS**  trans-101.9158.6172.300000110.5
187V30.5Very low28.3Very low123 Ų123129.2 Ų129.275%0.74581%0.81SS**  trans32.1111.5155.2-175.50000118
188P27.1Very low28.8Very low130 Ų130128.9 Ų128.984%0.84481%0.805SS**PPolyproline II helixtrans-79.6123.9150.832.4-27.6000109.9
189A26.1Very low29Very low90 Ų90128.8 Ų128.874%0.74480%0.799SS**PPolyproline II helixtrans-94.2136.3163.300000109K191A189-K191 PolarHBondContact O-N 3.28Å
190E26.9Very low29.3Very low197 Ų197133.2 Ų133.292%0.92181%0.807SS**PPolyproline II helixtrans-73126.3179.4-63.8-172.3131.800111.7
191K26.4Very low28.6Very low196 Ų196131 Ų13185%0.85281%0.805SS**  trans-148.6122.7160.1-99.4-167.3178.9-178.10112.7A189A189-K191 PolarHBondContact O-N 3.28Å
192S28.2Very low29Very low119 Ų119128.4 Ų128.483%0.83280%0.797SS**  trans42.4111.2144.959.90000119.7
193G25.7Very low29.6Very low76 Ų76134 Ų13478%0.78481%0.81SS**  trans-155.8104.9160.400000111.9
194L28.7Very low30.9Very low171 Ų171132.2 Ų132.290%0.89580%0.795SS**  trans-100.8136.6169.9-85.1162.2000109.6
195P30.7Very low32.6Very low120 Ų120129.9 Ų129.978%0.77978%0.778SS**  trans-98.7147157.734.4-27.5000111
196V29.6Very low34Very low146 Ų146128.4 Ų128.489%0.88577%0.772SS**  trans-118.8132.6178.6171.90000110.8
197G29.1Very low35.4Very low68 Ų68131.8 Ų131.870%0.70177%0.773SS**  trans107.1163.1138.900000117.5
198P40.2Very low36.9Very low111 Ų111130.7 Ų130.772%0.72176%0.76SS**  cis-120.7165.53.640-27.5000115.7
199E30.6Very low38.7Very low167 Ų167129.4 Ų129.478%0.7875%0.745SS**  trans38.8117.3143.6-63.9164.2-148.500119.4
200N33.3Very low40.6Very low160 Ų160130.7 Ų130.786%0.85674%0.738SS**  cis-146.9152.939.9-81.7-88.2000111.9
201G30.5Very low42.5Very low71 Ų71129.1 Ų129.173%0.73272%0.724SS**  trans-105149.3-162.900000117.2
202V37.2Very low44.5Very low132 Ų132127.3 Ų127.380%0.871%0.712SS**  -138.7118.9118.4-1800000107L204V202-L204 PolarHBondContact O-N 3.49Å
203E38.8Very low46.5Very low198 Ų198128.3 Ų128.393%0.92570%0.701SS**  trans-79.1108.6173.3-73-162.4125.100110.5
204L51.4Low48.3Very low93 Ų93133.7 Ų133.749%0.48770%0.698SS.*  trans-79.6139.8168.5-69.2170.9000110.2V202V202-L204 PolarHBondContact O-N 3.49Å
205S62.4Low49.7Very low60 Ų60130.1 Ų130.142%0.4268%0.677SS.*  trans-63.8154.3-175.874.70000112.9E207 E208 L209S205-E207 PolarHBondContact O-N 3.46Å; S205-E208 PolarHBondContact O-N 3.48Å; S205-E208 VanDerWaalsContact O-N 3.13Å; S205-E208 WeakPolarHBondContact OG-CB 3.45Å; S205-E208 PolarHBondContact OG-N 3.41Å; S205-L209 PolarHBondContact O-N 3.45Å; S205-L209 VanDerWaalsContact O-N 3.16Å
206K54.5Low51.1Low181 Ų181129.6 Ų129.679%0.78766%0.664SS**Hα-helixtrans-58.5-31.9176.6-74.5-179.8177.8173.30112.7I210K206-I210 WeakPolarHBondContact O-CD1 3.25Å; K206-I210 VanDerWaalsContact O-CG1 3.3Å; K206-I210 WeakPolarHBondContact O-CG1 3.38Å; K206-I210 PolarHBondContact O-N 3.43Å; K206-I210 VanDerWaalsContact O-N 3.16Å
207E55.5Low52.2Low158 Ų158129.1 Ų129.174%0.73865%0.65SS**Hα-helixtrans-69.4-38.5178.5-57.5-170.4147.700111.7S205 I210 R211S205-E207 PolarHBondContact O-N 3.46Å; E207-I210 WeakPolarHBondContact O-CB 3.36Å; E207-I210 PolarHBondContact O-N 3.49Å; E207-R211 WeakPolarHBondContact O-CB 3.37Å; E207-R211 PolarHBondContact O-N 2.7Å
208E62.2Low53.6Low100 Ų100131.2 Ų131.247%0.46764%0.644SS.*Hα-helixtrans-70.4-34.3178.2-165.9151.4-148.200112.2S205 R211 R212S205-E208 PolarHBondContact O-N 3.48Å; S205-E208 VanDerWaalsContact O-N 3.13Å; S205-E208 WeakPolarHBondContact OG-CB 3.45Å; S205-E208 PolarHBondContact OG-N 3.41Å; E208-R211 PolarHBondContact O-N 3.39Å; E208-R212 PolarHBondContact O-N 2.92Å
209L64.1Low54.1Low103 Ų103133.2 Ų133.254%0.53964%0.644SS.*Hα-helixtrans-65.4-37.9170.6-157.683.9000112.4S205 K213S205-L209 PolarHBondContact O-N 3.45Å; S205-L209 VanDerWaalsContact O-N 3.16Å; L209-K213 PolarHBondContact O-N 3.22Å
210I67.4Low55Low117 Ų117133.2 Ų133.260%0.664%0.641SS**Hα-helixtrans-67.9-42.4174.5-70.3164000110.2K206 E207 K213 R214K206-I210 WeakPolarHBondContact O-CD1 3.25Å; K206-I210 VanDerWaalsContact O-CG1 3.3Å; K206-I210 WeakPolarHBondContact O-CG1 3.38Å; K206-I210 PolarHBondContact O-N 3.43Å; K206-I210 VanDerWaalsContact O-N 3.16Å; E207-I210 WeakPolarHBondContact O-CB 3.36Å; E207-I210 PolarHBondContact O-N 3.49Å; I210-K213 PolarHBondContact O-N 2.91Å; I210-R214 PolarHBondContact O-N 2.78Å; I210-R214 VanDerWaalsContact O-N 3.07Å
211R66.9Low55.5Low164 Ų164132.5 Ų132.562%0.61963%0.632SS**Hα-helixtrans-60.8-49.6178.5-175.3173.1179.8163.92.4112.1E207 E208 K213 R214 E215E207-R211 WeakPolarHBondContact O-CB 3.37Å; E207-R211 PolarHBondContact O-N 2.7Å; E208-R211 PolarHBondContact O-N 3.39Å; R211-K213 PolarHBondContact O-N 2.98Å; R211-R214 WeakPolarHBondContact O-CA 3.34Å; R211-R214 WeakPolarHBondContact O-CB 3.43Å; R211-R214 PolarHBondContact O-N 2.97Å; R211-E215 VanDerWaalsContact CG-OE1 3.26Å; R211-E215 WeakPolarHBondContact CG-OE1 3.44Å; R211-E215 IonicContact CZ-OE1 3.9Å; R211-E215 IonicContact NE-OE1 2.96Å; R211-E215 PolarHBondContact NE-OE1 2.61Å; R211-E215 IonicContact NH2-OE1 3.94Å; R211-E215 WeakPolarHBondContact O-CG 3.35Å; R211-E215 PolarHBondContact O-N 3.34Å
212R68Low56Low158 Ų158132 Ų13260%0.59663%0.627SS**Hα-helixtrans-54.8-46.3174.4-91.3-176.1167.1170-2.3112.7E208 R214 E215 E216E208-R212 PolarHBondContact O-N 2.92Å; R212-R214 VanDerWaalsContact C-N 3.26Å; R212-R214 PolarHBondContact O-N 3.01Å; R212-E215 PolarHBondContact O-N 2.88Å; R212-E216 WeakPolarHBondContact O-CG 3.41Å; R212-E216 PolarHBondContact O-N 2.71Å
213K70.2Confident55.9Low140 Ų140136.6 Ų136.661%0.60963%0.63SS**Hα-helixtrans-63.3-30.4177.4-74.2-177.8176.4-176.70113.1L209 I210 R211 F217L209-K213 PolarHBondContact O-N 3.22Å; I210-K213 PolarHBondContact O-N 2.91Å; R211-K213 PolarHBondContact O-N 2.98Å; K213-F217 WeakPolarHBondContact O-CB 3.25Å; K213-F217 PolarHBondContact O-N 2.78Å
214R62.3Low55.4Low190 Ų190130.9 Ų130.972%0.71763%0.625SS**Hα-helixtrans-72.9-40174.6-143.3178.3-157-162.15.9111.7I210 R211 R212 F217 I218I210-R214 PolarHBondContact O-N 2.78Å; I210-R214 VanDerWaalsContact O-N 3.07Å; R211-R214 WeakPolarHBondContact O-CA 3.34Å; R211-R214 WeakPolarHBondContact O-CB 3.43Å; R211-R214 PolarHBondContact O-N 2.97Å; R212-R214 VanDerWaalsContact C-N 3.26Å; R212-R214 PolarHBondContact O-N 3.01Å; R214-F217 PolarHBondContact O-N 3.17Å; R214-I218 WeakPolarHBondContact O-CG1 3.42Å; R214-I218 PolarHBondContact O-N 3.45Å; R214-I218 VanDerWaalsContact O-N 3.11Å
215E58.2Low54.1Low96 Ų96135.6 Ų135.645%0.44965%0.646SS.*Hα-helixtrans-68.8-41.6177.3-71.1164.7-178.400111.4R211 R212 F217 I218 Q219R211-E215 VanDerWaalsContact CG-OE1 3.26Å; R211-E215 WeakPolarHBondContact CG-OE1 3.44Å; R211-E215 IonicContact CZ-OE1 3.9Å; R211-E215 IonicContact NE-OE1 2.96Å; R211-E215 PolarHBondContact NE-OE1 2.61Å; R211-E215 IonicContact NH2-OE1 3.94Å; R211-E215 WeakPolarHBondContact O-CG 3.35Å; R211-E215 PolarHBondContact O-N 3.34Å; R212-E215 PolarHBondContact O-N 2.88Å; E215-F217 VanDerWaalsContact C-N 3.34Å; E215-F217 PolarHBondContact O-N 2.79Å; E215-I218 PolarHBondContact O-N 3.34Å; E215-Q219 WeakPolarHBondContact O-CB 3.48Å; E215-Q219 PolarHBondContact O-N 3.26Å
216E60.3Low52.5Low109 Ų109142.1 Ų142.151%0.50967%0.67SS.*Hα-helixtrans-60-39.4171.2-74.5-172.414700113.1R212 Q219 K220R212-E216 WeakPolarHBondContact O-CG 3.41Å; R212-E216 PolarHBondContact O-N 2.71Å; E216-Q219 PolarHBondContact O-N 3.49Å; E216-K220 WeakPolarHBondContact O-CB 3.46Å; E216-K220 PolarHBondContact O-N 3.45Å
217F52.9Low51.2Low135 Ų135142.8 Ų142.859%0.59267%0.673SS**Hα-helixtrans-65.5-43.9178-174.9-94.6000111.6K213 R214 E215 Q219 K220 H221K213-F217 WeakPolarHBondContact O-CB 3.25Å; K213-F217 PolarHBondContact O-N 2.78Å; R214-F217 PolarHBondContact O-N 3.17Å; E215-F217 VanDerWaalsContact C-N 3.34Å; E215-F217 PolarHBondContact O-N 2.79Å; F217-Q219 VanDerWaalsContact C-N 3.35Å; F217-K220 PolarHBondContact O-N 3.02Å; F217-H221 AromaticContact CZ-CD2 3.98Å; F217-H221 PolarHBondContact O-N 3.39Å
218I58.7Low49.7Very low113 Ų113141.1 Ų141.158%0.57968%0.679SS**Hα-helixtrans-63.7-41.2173.8-67.4165000110.4R214 E215 K220 H221 G222R214-I218 WeakPolarHBondContact O-CG1 3.42Å; R214-I218 PolarHBondContact O-N 3.45Å; R214-I218 VanDerWaalsContact O-N 3.11Å; E215-I218 PolarHBondContact O-N 3.34Å; I218-K220 VanDerWaalsContact C-N 3.33Å; I218-K220 PolarHBondContact O-N 3.26Å; I218-H221 PolarHBondContact O-N 3.26Å; I218-G222 WeakPolarHBondContact O-CA 3.18Å; I218-G222 PolarHBondContact O-N 2.68Å
219Q51Low48Very low153 Ų153144.2 Ų144.272%0.71570%0.699SS**Hα-helixtrans-67.4-30.6179.9-162.9175.551.800113.1E215 E216 F217E215-Q219 WeakPolarHBondContact O-CB 3.48Å; E215-Q219 PolarHBondContact O-N 3.26Å; E216-Q219 PolarHBondContact O-N 3.49Å; F217-Q219 VanDerWaalsContact C-N 3.35Å
220K48.6Very low46Very low166 Ų166149.5 Ų149.572%0.72272%0.717SS**Hα-helixtrans-78.7-26.3175.6-80176.7176.51680114.7E216 F217 I218E216-K220 WeakPolarHBondContact O-CB 3.46Å; E216-K220 PolarHBondContact O-N 3.45Å; F217-K220 PolarHBondContact O-N 3.02Å; I218-K220 VanDerWaalsContact C-N 3.33Å; I218-K220 PolarHBondContact O-N 3.26Å
221H44.6Very low44.1Very low146 Ų146149 Ų14968%0.67672%0.724SS**Hα-helixtrans-106.3-7.2177.7-78.6-65.8000114.7F217 I218 R223F217-H221 AromaticContact CZ-CD2 3.98Å; F217-H221 PolarHBondContact O-N 3.39Å; I218-H221 PolarHBondContact O-N 3.26Å; H221-R223 PolarHBondContact O-N 2.7Å
222G41.5Very low42.1Very low61 Ų61148.5 Ų148.563%0.62974%0.739SS**SBendtrans-86.111.1-178.400000116.4I218I218-G222 WeakPolarHBondContact O-CA 3.18Å; I218-G222 PolarHBondContact O-N 2.68Å
223R34.1Very low40Very low228 Ų228150.2 Ų150.286%0.8675%0.751SS**  trans-142.4130.1175.2-71.1178.1169.1-178.4-4.3109H221H221-R223 PolarHBondContact O-N 2.7Å
224G28.9Very low37.9Very low78 Ų78148.1 Ų148.180%0.80475%0.754SS**  cis158.9137.8-5.800000109.8
225M23.8Very low36.3Very low191 Ų191146.3 Ų146.394%0.94176%0.759SS**  trans-148.374.8176.4-166.1167.9179.800111.1
226E28.6Very low34.8Very low198 Ų198146 Ų14693%0.92577%0.773SS**PPolyproline II helixtrans-77.4165.1169.8-73.8-164.1107.300112.4
227K27Very low33.5Very low195 Ų195146.7 Ų146.785%0.84879%0.787SS**PPolyproline II helixtrans-88.2145.9-171.5-60.2166.9-175.8168.40111.4
228S25.1Very low32.2Very low122 Ų122150 Ų15085%0.85380%0.801SS**PPolyproline II helixtrans-77.9138.4160.548.50000110.7
229N25.1Very low31.2Very low166 Ų166153.9 Ų153.989%0.88882%0.817SS**PPolyproline II helixtrans-86.6143.1-178.5-87.8-36.2000112.5
230K23.3Very low30.1Very low213 Ų213156.2 Ų156.293%0.92682%0.824SS**  trans-150.9140.1145.6-154.3170.2-173.5177.50110.2
231S26.2Very low29.3Very low106 Ų106152 Ų15274%0.74183%0.828SS**  trans-121.9142.7-170.449.10000112.6
232T25Very low28.7Very low154 Ų154154.9 Ų154.995%0.94584%0.839SS**  trans-166.3175.6146.118.30000110.2
233K23.9Very low28.3Very low195 Ų195161.9 Ų161.985%0.84885%0.852SS**  trans-95.6159.5-165-66178.3175.1178.70115.1
234S27.4Very low28.3Very low96 Ų96155.4 Ų155.467%0.67185%0.847SS**  trans68.9156.1140.568.20000122.6
235D28.1Very low28.8Very low151 Ų151157.1 Ų157.181%0.80784%0.844SS**  trans87160.6161.5-50-52000119
236A27Very low29.4Very low90 Ų90159.2 Ų159.274%0.74484%0.842SS**  trans-103.1-169.4-133.100000114.7
237P33.9Very low29.9Very low124 Ų124155.6 Ų155.681%0.80583%0.833SS**  trans-75.7151-136.633.6-39.9000115.2
238K24.7Very low30.3Very low203 Ų203156.7 Ų156.788%0.88383%0.832SS**  trans-135.7139.3158.1-73.9-169.3174.3-179.80111.2
239E37.3Very low30.7Very low196 Ų196160.5 Ų160.592%0.91684%0.836SS**  trans-63.1150.5-179.1-61.1172.698.200112.6
240K29.1Very low31.4Very low201 Ų201161.2 Ų161.287%0.87484%0.839SS**  trans-134.4114.1158.4-72.8-172.3176.3177.90108.6K242K240-K242 PolarHBondContact O-N 3.16Å
241G31.1Very low31.8Very low78 Ų78153.6 Ų153.680%0.80482%0.821SS**PPolyproline II helixtrans-58.1130.1-177.200000112.2
242K31.3Very low32.2Very low207 Ų207152.1 Ų152.190%0.982%0.823SS**PPolyproline II helixtrans-69.1128.9169.7-66.9175.9-179.2172.90108.3K240 A244K240-K242 PolarHBondContact O-N 3.16Å; K242-A244 PolarHBondContact O-N 3.4Å
243K32.8Very low32.4Very low207 Ų207151.2 Ų151.290%0.982%0.821SS**PPolyproline II helixtrans-62.5123.2166.7-71.7-173.8175.9-175.60108.3
244A34Very low33Very low92 Ų92146.4 Ų146.476%0.7682%0.817SS**PPolyproline II helixtrans-67.4139.7176.900000110.7K242K242-A244 PolarHBondContact O-N 3.4Å
245P39.9Very low33.2Very low115 Ų115148.3 Ų148.375%0.74782%0.82SS**PPolyproline II helixtrans-68.1150.7165.931.1-33.9000109.9V247P245-V247 PolarHBondContact O-N 3.45Å
246R37.4Very low33.6Very low235 Ų235150.2 Ų150.289%0.88782%0.821SS**  trans-69.2115.1-179.6-169.2178.9-170.8177.42.7110.4
247V38.4Very low34.1Very low122 Ų122155 Ų15574%0.73983%0.828SS**  trans-74.8146.2171.2-179.20000109.3P245P245-V247 PolarHBondContact O-N 3.45Å
248W34.8Very low34.4Very low218 Ų218153.7 Ų153.783%0.82682%0.818SS**  trans-100.9129.5169.5-69.763.8000108.1L250 G251W248-L250 PolarHBondContact O-N 2.99Å; W248-G251 PolarHBondContact O-N 2.82Å; W248-G251 VanDerWaalsContact O-N 3.08Å
249E34.3Very low35.3Very low201 Ų201150.5 Ų150.594%0.93981%0.809SS**THydrogen-bonded Turntrans-72.12.7-167.8-63.7178.513700115
250L40.5Very low35.2Very low181 Ų181146.3 Ų146.395%0.94879%0.794SS**THydrogen-bonded Turntrans-118.915.4174.4-69169.5000113W248W248-L250 PolarHBondContact O-N 2.99Å
251G30.3Very low36.1Very low53 Ų53146 Ų14655%0.54679%0.788SS.*  trans-88.4109.6173.300000112.3W248W248-G251 PolarHBondContact O-N 2.82Å; W248-G251 VanDerWaalsContact O-N 3.08Å
252G34.5Very low36.6Very low76 Ų76146.7 Ų146.778%0.78478%0.781SS**  trans-60.6139.4175.400000113.3A254G252-A254 PolarHBondContact O-N 2.98Å
253C29.3Very low36.8Very low135 Ų135140.9 Ų140.991%0.91276%0.763SS**  trans-76.588.1-172.4-63.80000113.4
254A36Very low37.2Very low93 Ų93137 Ų13777%0.76976%0.759SS**  trans-90128.1165.400000111.2G252 K256G252-A254 PolarHBondContact O-N 2.98Å; A254-K256 PolarHBondContact O-N 3.42Å
255N33.5Very low37.4Very low137 Ų137138.3 Ų138.373%0.73376%0.757SS**  trans-69.1128.8-179.3-80.7-30.4000111.9E257N255-E257 PolarHBondContact O-N 2.93Å; N255-E257 VanDerWaalsContact O-N 3.11Å
256K35.7Very low37.1Very low190 Ų190138.4 Ų138.483%0.82676%0.756SS**THydrogen-bonded Turntrans-72.1-7.7-167.1-160.8171-178.5177.30115.1A254A254-K256 PolarHBondContact O-N 3.42Å
257E36.3Very low37.2Very low190 Ų190136 Ų13689%0.88876%0.761SS**THydrogen-bonded Turntrans-89-8.9-174.5-61.1-178.4155.900113.2N255 L259N255-E257 PolarHBondContact O-N 2.93Å; N255-E257 VanDerWaalsContact O-N 3.11Å; E257-L259 VanDerWaalsContact C-N 3.33Å; E257-L259 PolarHBondContact O-N 3.26Å
258V42.1Very low36.8Very low98 Ų98133 Ų13359%0.59476%0.755SS**SBendtrans-96.735.1-177.7-1570000112.4Y261V258-Y261 PolarHBondContact O-OH 3.09Å
259L42.1Very low36.6Very low135 Ų135127.2 Ų127.271%0.70775%0.747SS**  trans-130.615.7-171.5-82169.8000115E257E257-L259 VanDerWaalsContact C-N 3.33Å; E257-L259 PolarHBondContact O-N 3.26Å
260D35.2Very low36.8Very low109 Ų109122.1 Ų122.158%0.58373%0.732SS**  trans-111.3117.5164.9-170.1-8.4000110.1S262D260-S262 WeakPolarHBondContact OD1-CB 3.46Å; D260-S262 PolarHBondContact OD1-N 3.39Å; D260-S262 PolarHBondContact OD1-OG 2.86Å; D260-S262 PolarHBondContact OD2-OG 3.39Å
261Y48Very low36.5Very low193 Ų193120.9 Ų120.976%0.75772%0.721SS**  trans-113.418.2178.8-68-87.4000112.1V258V258-Y261 PolarHBondContact O-OH 3.09Å
262S42.7Very low36.5Very low94 Ų94121.4 Ų121.466%0.65772%0.721SS**  trans-86.4-5.7-175.369.20000115D260D260-S262 WeakPolarHBondContact OD1-CB 3.46Å; D260-S262 PolarHBondContact OD1-N 3.39Å; D260-S262 PolarHBondContact OD1-OG 2.86Å; D260-S262 PolarHBondContact OD2-OG 3.39Å
263T35.3Very low36.7Very low84 Ų84121.1 Ų121.152%0.51571%0.711SS.*  trans-113.6140.1-178.563.40000112.5
264P41.2Very low37.2Very low127 Ų127117.8 Ų117.883%0.82568%0.684SS**SBendtrans-90.94.4-173.334.5-35.1000115.1
265T38.5Very low37.5Very low118 Ų118116 Ų11672%0.72467%0.665SS**  trans-143.971.4-165.253.10000114.4
266T31.9Very low37.8Very low118 Ų118116.7 Ų116.772%0.72466%0.664SS**  trans-140.8114.9160.834.20000110.2G268T266-G268 PolarHBondContact O-N 3Å; T266-G268 VanDerWaalsContact O-N 3.14Å
267N39.7Very low38.2Very low185 Ų185110.8 Ų110.899%0.98964%0.641SS**  trans-8094178.5-79.2-12.4000110.9
268G30.4Very low39Very low59 Ų59103 Ų10361%0.60861%0.606SS**  trans-120.1127.7157.700000109T266 P270T266-G268 PolarHBondContact O-N 3Å; T266-G268 VanDerWaalsContact O-N 3.14Å; G268-P270 WeakPolarHBondContact O-CD 3.44Å
269S31.3Very low38.9Very low95 Ų95103.2 Ų103.266%0.66460%0.603SS**  trans-59.5114.1-168.1-58.50000113.1E271S269-E271 PolarHBondContact O-N 3.45Å
270P39Very low38.9Very low95 Ų95103.8 Ų103.862%0.61761%0.606SS**THydrogen-bonded Turntrans-67.5-18.2-177.7-22.635.2000114.4G268 A272 L274G268-P270 WeakPolarHBondContact O-CD 3.44Å; P270-A272 VanDerWaalsContact C-N 3.33Å; P270-A272 PolarHBondContact O-N 2.96Å; P270-L274 HydrophobicContact CB-CD1 4.45Å; P270-L274 WeakPolarHBondContact O-CG 3.47Å; P270-L274 PolarHBondContact O-N 2.91Å
271E33.6Very low39.6Very low154 Ų154100.4 Ų100.472%0.7259%0.588SS**Hα-helixtrans-63.4-34.1-173-61.9179.5125.300113.2S269 L274 S275S269-E271 PolarHBondContact O-N 3.45Å; E271-L274 PolarHBondContact O-N 3.45Å; E271-S275 WeakPolarHBondContact O-CB 3.49Å; E271-S275 PolarHBondContact O-N 3.47Å; E271-S275 PolarHBondContact O-OG 2.88Å
272A31.3Very low39.6Very low65 Ų6599.1 Ų99.154%0.53758%0.582SS.*Hα-helixtrans-61.8-56.3-176.800000111.5P270 L274 S275 E276P270-A272 VanDerWaalsContact C-N 3.33Å; P270-A272 PolarHBondContact O-N 2.96Å; A272-L274 VanDerWaalsContact C-N 3.31Å; A272-L274 PolarHBondContact O-N 2.93Å; A272-S275 PolarHBondContact O-N 3.17Å; A272-S275 VanDerWaalsContact O-N 3.09Å; A272-S275 PolarHBondContact O-OG 3.42Å; A272-E276 PolarHBondContact O-N 2.99Å
273A37.1Very low39.4Very low70 Ų7097.9 Ų97.958%0.57958%0.584SS**Hα-helixtrans-64.9-33179.400000112.9
274L39.8Very low39.7Very low65 Ų6597.9 Ų97.934%0.3458%0.584SS.*Hα-helixtrans-67.7-34.5173.2-74.9168.5000112.3P270 E271 A272 I278P270-L274 HydrophobicContact CB-CD1 4.45Å; P270-L274 WeakPolarHBondContact O-CG 3.47Å; P270-L274 PolarHBondContact O-N 2.91Å; E271-L274 PolarHBondContact O-N 3.45Å; A272-L274 VanDerWaalsContact C-N 3.31Å; A272-L274 PolarHBondContact O-N 2.93Å; L274-I278 HydrophobicContact CB-CD1 4.45Å; L274-I278 VanDerWaalsContact O-CB 3.29Å; L274-I278 WeakPolarHBondContact O-CB 3.43Å; L274-I278 WeakPolarHBondContact O-CD1 3.31Å; L274-I278 WeakPolarHBondContact O-CG1 3.5Å; L274-I278 PolarHBondContact O-N 3.31Å
275S42.6Very low39.5Very low54 Ų5494.8 Ų94.838%0.37858%0.575SS.*Hα-helixtrans-70-35.3-176.871.90000113.6E271 A272 N279E271-S275 WeakPolarHBondContact O-CB 3.49Å; E271-S275 PolarHBondContact O-N 3.47Å; E271-S275 PolarHBondContact O-OG 2.88Å; A272-S275 PolarHBondContact O-N 3.17Å; A272-S275 VanDerWaalsContact O-N 3.09Å; A272-S275 PolarHBondContact O-OG 3.42Å; S275-N279 WeakPolarHBondContact O-CB 3.38Å; S275-N279 PolarHBondContact O-N 3.03Å; S275-N279 PolarHBondContact O-ND2 2.82Å; S275-N279 VanDerWaalsContact O-ND2 3.12Å
276E39.5Very low39.4Very low153 Ų15396.1 Ų96.172%0.71559%0.586SS**Hα-helixtrans-68.8-48.9175.5-64.7-170.7143.600111.5A272 I278 N279 L280A272-E276 PolarHBondContact O-N 2.99Å; E276-I278 VanDerWaalsContact C-N 3.29Å; E276-I278 PolarHBondContact O-N 3.36Å; E276-N279 PolarHBondContact O-N 3.42Å; E276-L280 PolarHBondContact O-N 2.93Å; E276-L280 VanDerWaalsContact O-N 3.17Å
277D45.5Very low40Very low65 Ų6593 Ų9335%0.34858%0.576SS.*Hα-helixtrans-51.6-47.1172.6-99-1.3000111.7L280 I281 R471D277-L280 PolarHBondContact O-N 3.34Å; D277-I281 WeakPolarHBondContact O-CG1 3.47Å; D277-I281 PolarHBondContact O-N 3.3Å; D277-R471 IonicContact OD2-CZ 2.68Å; D277-R471 IonicContact OD2-NE 2.7Å; D277-R471 PolarHBondContact OD2-NE 3.38Å; D277-R471 IonicContact OD2-NH2 2.96Å; D277-R471 PolarHBondContact OD2-NH2 3Å
278I52.1Low40.7Very low28 Ų2884.8 Ų84.814%0.14454%0.536CS..Hα-helixtrans-68.3-36.5-177.2-75.5167.7000112L274 E276 R282 A474 L475L274-I278 HydrophobicContact CB-CD1 4.45Å; L274-I278 VanDerWaalsContact O-CB 3.29Å; L274-I278 WeakPolarHBondContact O-CB 3.43Å; L274-I278 WeakPolarHBondContact O-CD1 3.31Å; L274-I278 WeakPolarHBondContact O-CG1 3.5Å; L274-I278 PolarHBondContact O-N 3.31Å; E276-I278 VanDerWaalsContact C-N 3.29Å; E276-I278 PolarHBondContact O-N 3.36Å; I278-R282 WeakPolarHBondContact O-CB 3.35Å; I278-R282 PolarHBondContact O-N 2.95Å; I278-R282 VanDerWaalsContact O-N 3.13Å; I278-A474 HydrophobicContact CD1-CB 4.02Å; I278-L475 HydrophobicContact CB-CD2 4.48Å; I278-L475 HydrophobicContact CG1-CD2 4.04Å; I278-L475 HydrophobicContact CG2-CD2 4.23Å
279N39.8Very low42.3Very low101 Ų10190.4 Ų90.454%0.5455%0.546SS..Hα-helixtrans-71.1-34.9180-74.3-25.5000112S275 E276 R282S275-N279 WeakPolarHBondContact O-CB 3.38Å; S275-N279 PolarHBondContact O-N 3.03Å; S275-N279 PolarHBondContact O-ND2 2.82Å; S275-N279 VanDerWaalsContact O-ND2 3.12Å; E276-N279 PolarHBondContact O-N 3.42Å; N279-R282 PolarHBondContact O-N 2.89Å
280L43.4Very low44.2Very low147 Ų14787.9 Ų87.977%0.7753%0.525SS*.Hα-helixtrans-65.6-43175.2-168.469.6000111.8E276 D277 R282 G283E276-L280 PolarHBondContact O-N 2.93Å; E276-L280 VanDerWaalsContact O-N 3.17Å; D277-L280 PolarHBondContact O-N 3.34Å; L280-R282 VanDerWaalsContact C-N 3.35Å; L280-R282 PolarHBondContact O-N 3.43Å; L280-G283 PolarHBondContact O-N 2.92Å
281I49.8Very low45.8Very low38 Ų3889.1 Ų89.120%0.19552%0.523CS..Hα-helixtrans-66.5-35.7178.3-66.4168.5000111.5D277 G283 T284 F440 L475D277-I281 WeakPolarHBondContact O-CG1 3.47Å; D277-I281 PolarHBondContact O-N 3.3Å; I281-G283 PolarHBondContact O-N 3.39Å; I281-G283 VanDerWaalsContact O-N 3.09Å; I281-T284 PolarHBondContact O-OG1 3.07Å; I281-F440 HydrophobicContact CG2-CZ 4.24Å; I281-L475 HydrophobicContact CD1-CD1 4.34Å; I281-L475 HydrophobicContact CG2-CD1 4.34Å; I281-L475 HydrophobicContact CG2-CD2 4.24Å
282R48.2Very low47.8Very low166 Ų16686 Ų8663%0.62651%0.511SS*.THydrogen-bonded Turntrans-70.8-1.5-179.1-152-175.8-60.1178.83.2114.2I278 N279 L280I278-R282 WeakPolarHBondContact O-CB 3.35Å; I278-R282 PolarHBondContact O-N 2.95Å; I278-R282 VanDerWaalsContact O-N 3.13Å; N279-R282 PolarHBondContact O-N 2.89Å; L280-R282 VanDerWaalsContact C-N 3.35Å; L280-R282 PolarHBondContact O-N 3.43Å
283G37Very low49.8Very low69 Ų6983.4 Ų83.471%0.71149%0.488SS*.THydrogen-bonded Turntrans-77.7-14.8177.100000115.1L280 I281L280-G283 PolarHBondContact O-N 2.92Å; I281-G283 PolarHBondContact O-N 3.39Å; I281-G283 VanDerWaalsContact O-N 3.09Å
284T42.8Very low51.2Low84 Ų8485.9 Ų85.952%0.51549%0.492SS..SBendtrans-80.4142.1174.850.90000111.7I281 C621I281-T284 PolarHBondContact O-OG1 3.07Å; T284-C621 HydrophobicContact CG2-CB 4.29Å
285G36.5Very low52Low61 Ų6184.3 Ų84.363%0.62949%0.486SS*.  trans-64.3163.1-168.700000116G287G285-G287 PolarHBondContact O-N 3.39Å
286P36.5Very low51.9Low147 Ų14786.5 Ų86.596%0.95550%0.501SS*.SBendtrans-73.1114.4-170.328.9-35.1000113.2
287G43.8Very low51.8Low51 Ų5181.9 Ų81.953%0.52649%0.486SS..SBendtrans132.5131.3167.800000113G285 Q289G285-G287 PolarHBondContact O-N 3.39Å; G287-Q289 PolarHBondContact O-N 3.04Å
288G54.4Low51.3Low14 Ų1484.6 Ų84.614%0.14451%0.51CS..  trans-68.729.6179.300000116W441 N445G288-W441 VanDerWaalsContact O-CD1 3.3Å; G288-W441 PolarHBondContact O-NE1 3.3Å; G288-N445 PolarHBondContact O-ND2 3.08Å
289Q63.8Low50.4Low176 Ų17689.8 Ų89.882%0.82254%0.538SS*.PPolyproline II helixtrans-78.9121.1175.3-172.5169.51400109.7G287 Q291G287-Q289 PolarHBondContact O-N 3.04Å; Q289-Q291 PolarHBondContact O-N 3.25Å
290L71.1Confident50Low43 Ų4391.6 Ų91.623%0.22555%0.548CS..PPolyproline II helixtrans-63.2131.7173.5-74.7142.7000109.8W441 F613 L623L290-W441 HydrophobicContact CD1-CD2 4.31Å; L290-W441 HydrophobicContact CD1-CZ2 3.66Å; L290-F613 HydrophobicContact CD1-CD1 4.17Å; L290-F613 HydrophobicContact CD1-CE1 3.74Å; L290-F613 HydrophobicContact CD2-CD1 4.35Å; L290-L623 HydrophobicContact CD2-CB 4.4Å; L290-L623 HydrophobicContact CD2-CD2 4.24Å; L290-L623 HydrophobicContact CD2-CG 4.12Å
291Q73Confident49.4Very low120 Ų12094 Ų9456%0.56156%0.555SS**PPolyproline II helixtrans-76.7138.9164.2-67.3173.6-1100108.3Q289 R624 S625Q289-Q291 PolarHBondContact O-N 3.25Å; Q291-R624 WeakPolarHBondContact O-CA 3.31Å; Q291-R624 WeakPolarHBondContact O-CD 3.46Å; Q291-R624 VanDerWaalsContact OE1-CZ 3.24Å; Q291-S625 PolarHBondContact O-N 3.38Å; Q291-S625 PolarHBondContact O-OG 3.31Å
292D76.6Confident48.6Very low89 Ų8995.3 Ų95.348%0.47658%0.578SS.*BIsolated β-bridgetrans-67.2151.5172.5-89.1-24.5000110.9D294 S625 N627D292-D294 PolarHBondContact O-N 3.25Å; D292-D294 VanDerWaalsContact O-N 3.15Å; D292-S625 WeakPolarHBondContact CA-OG 3.44Å; D292-S625 VanDerWaalsContact OD1-CB 3.3Å; D292-S625 WeakPolarHBondContact OD1-CB 3.45Å; D292-S625 PolarHBondContact OD1-OG 3.11Å; D292-N627 HydrophobicContact CB-CB 4.19Å
293L72.4Confident47.5Very low11 Ų1191.1 Ų91.16%0.05858%0.579CS.*  trans-76.295.1178.7-177.282.2000111.4C295 F590 V614 T616 R624 S625 L626 N627 V631L293-C295 PolarHBondContact O-N 3.09Å; L293-F590 HydrophobicContact CD1-CD1 4.03Å; L293-F590 HydrophobicContact CD1-CE1 4.19Å; L293-F590 HydrophobicContact CD2-CD1 4.19Å; L293-F590 HydrophobicContact CD2-CD2 4.45Å; L293-F590 HydrophobicContact CD2-CE1 3.73Å; L293-F590 HydrophobicContact CD2-CE2 3.99Å; L293-F590 HydrophobicContact CD2-CZ 3.6Å; L293-F590 HydrophobicContact CG-CE1 4.33Å; L293-V614 HydrophobicContact CD1-CB 4.49Å; L293-V614 HydrophobicContact CD1-CG1 4.05Å; L293-V614 HydrophobicContact CD2-CG1 4.15Å; L293-V614 HydrophobicContact CD2-CG2 4.3Å; L293-T616 HydrophobicContact CD1-CG2 3.53Å; L293-R624 HydrophobicContact CB-CB 4.21Å; L293-R624 HydrophobicContact CD1-CB 4.24Å; L293-R624 HydrophobicContact CD1-CG 4.28Å; L293-S625 VanDerWaalsContact CB-O 3.24Å; L293-S625 WeakPolarHBondContact CB-O 3.35Å; L293-S625 PolarHBondContact N-O 3.23Å; L293-L626 HydrophobicContact CD2-CD1 4.49Å; L293-N627 WeakPolarHBondContact O-CB 3.47Å; L293-V631 HydrophobicContact CD2-CG2 3.84Å
294D67.3Low47Very low121 Ų12192.2 Ų92.265%0.64758%0.581SS**  trans-79.9107.9173.7-72.1-36.7000111.9D292 S296D292-D294 PolarHBondContact O-N 3.25Å; D292-D294 VanDerWaalsContact O-N 3.15Å; D294-S296 PolarHBondContact O-N 3.47Å; D294-S296 VanDerWaalsContact O-N 3.07Å
295C55.8Low46.2Very low33 Ų3397.1 Ų97.122%0.22360%0.598CS.*  trans-83.949.1178.5-54.20000112.8L293 S297 A630 A634L293-C295 PolarHBondContact O-N 3.09Å; C295-S297 PolarHBondContact O-N 2.91Å; C295-A630 HydrophobicContact CB-CB 4.15Å; C295-A634 HydrophobicContact CB-CB 3.68Å
296S40.9Very low45.7Very low100 Ų100101.2 Ų101.270%0.69961%0.606SS**  trans-86.5101.5173.4560000110.8D294 S298D294-S296 PolarHBondContact O-N 3.47Å; D294-S296 VanDerWaalsContact O-N 3.07Å; S296-S298 PolarHBondContact O-N 3.47Å
297S37.9Very low45.3Very low56 Ų5699.4 Ų99.439%0.39260%0.597SS.*  trans-56.9123.4171.1580000110.4C295 D299 K637C295-S297 PolarHBondContact O-N 2.91Å; S297-D299 PolarHBondContact O-N 3.08Å; S297-K637 PolarHBondContact OG-NZ 3.43Å
298S33.6Very low44.5Very low122 Ų122103 Ų10385%0.85361%0.609SS**SBendtrans-78.151.3178.858.40000112.9S296S296-S298 PolarHBondContact O-N 3.47Å
299D33.5Very low43.2Very low136 Ų136111.6 Ų111.673%0.72764%0.642SS**  trans-130.182.6174-74-58.3000107.9S297S297-D299 PolarHBondContact O-N 3.08Å
300D32.3Very low41.5Very low139 Ų139109.6 Ų109.674%0.74364%0.644SS**  trans-141.349.3169.9-161.517.1000110.9
301E30.5Very low39.4Very low197 Ų197112.9 Ų112.992%0.92167%0.671SS**  trans-92112.4163-91-72.9172.900108.6
302G32Very low37.4Very low66 Ų66112.3 Ų112.368%0.6869%0.686SS**  trans1234.9164.800000118.9A304G302-A304 PolarHBondContact O-N 3.43Å
303A25.7Very low35.1Very low79 Ų79114.5 Ų114.565%0.65370%0.703SS**  trans-73.471.2173.300000112.6Q305A303-Q305 PolarHBondContact O-N 3.48Å
304A25.8Very low33Very low92 Ų92124 Ų12476%0.7674%0.744SS**  trans-59.8120.1-17200000114G302 N306G302-A304 PolarHBondContact O-N 3.43Å; A304-N306 PolarHBondContact O-N 2.87Å
305Q27.4Very low31.3Very low186 Ų186121.7 Ų121.787%0.86975%0.749SS**  trans-70.289.1177.4-66.1-176.44.800112.2A303 S307A303-Q305 PolarHBondContact O-N 3.48Å; Q305-S307 PolarHBondContact O-N 3.12Å
306N26.2Very low30Very low148 Ų148127.2 Ų127.279%0.79178%0.782SS**  trans-81.680.6177.4-151.6-3000111.5A304 T308A304-N306 PolarHBondContact O-N 2.87Å; N306-T308 PolarHBondContact O-N 3Å
307S27.8Very low29.9Very low108 Ų108131.4 Ų131.476%0.75580%0.796SS**  trans-83.193-175.152.60000113Q305Q305-S307 PolarHBondContact O-N 3.12Å
308T27.2Very low29.9Very low127 Ų127132.3 Ų132.378%0.77981%0.813SS**PPolyproline II helixtrans-88116.3175.940.20000112.6N306N306-T308 PolarHBondContact O-N 3Å
309K26.8Very low30.1Very low195 Ų195130.4 Ų130.485%0.84881%0.813SS**PPolyproline II helixtrans-68151.3167.8-78.3-177.6177.81770110.9
310P28.2Very low30.3Very low134 Ų134131.9 Ų131.987%0.8782%0.818SS**PPolyproline II helixtrans-72135.9-17829.6-35.3000112.1
311S26.4Very low30.7Very low112 Ų112134.6 Ų134.678%0.78382%0.823SS**  trans-107.2139.5159.357.30000109.3
312A31.2Very low31.1Very low107 Ų107128.6 Ų128.688%0.88481%0.814SS**  trans-105.1119.9-177.100000110.8
313T28.2Very low31.4Very low135 Ų135133.8 Ų133.883%0.82882%0.823SS**  trans-130.4136.7172.6-44.10000109.7G315T313-G315 PolarHBondContact O-N 3.45Å
314K28.9Very low32.3Very low210 Ų210136.6 Ų136.691%0.91383%0.826SS**  trans-76.8120.3-173.3-72.7177.9176.2176.10112.6
315G31.4Very low32.8Very low74 Ų74142.1 Ų142.176%0.76383%0.833SS**  trans46.7113130.100000120.8T313T313-G315 PolarHBondContact O-N 3.45Å
316T27.2Very low33.5Very low148 Ų148136.6 Ų136.691%0.90883%0.826SS**  trans-125.2113142.2-49.20000107.9
317L38.6Very low34.4Very low189 Ų189137.5 Ų137.599%0.9983%0.83SS**  trans-98.8107.4-179.3-153.297000110
318G37.9Very low35.2Very low74 Ų74138.6 Ų138.676%0.76383%0.832SS**  trans158.9131.9171.500000114.6
319G39.2Very low36.1Very low82 Ų82135.4 Ų135.485%0.84582%0.824SS**SBendtrans113.34.6154.800000120.3
320M38.2Very low37.6Very low168 Ų168130.8 Ų130.883%0.82882%0.816SS**  trans-1243.4179.6-70.7-163.375.300117.5G322M320-G322 PolarHBondContact O-N 3.33Å
321F39.5Very low39.5Very low196 Ų196130 Ų13086%0.8680%0.799SS**THydrogen-bonded Turntrans-75-0.6176-92.2-84.6000115.1
322G38.9Very low42Very low70 Ų70127.2 Ų127.272%0.72278%0.78SS**THydrogen-bonded Turntrans-78.6-23.6-177.900000115.6M320M320-G322 PolarHBondContact O-N 3.33Å
323M39.5Very low44.5Very low175 Ų175122.2 Ų122.286%0.86274%0.738SS**THydrogen-bonded Turntrans-93.95.1-165.1-137.8168.386.100115.4
324L42.7Very low47.2Very low139 Ų139117.5 Ų117.573%0.72871%0.711SS**THydrogen-bonded Turntrans-93.5-0.4179.3-72.6169.6000114.1
325K38.1Very low50.1Low208 Ų208111.6 Ų111.690%0.90468%0.683SS**SBendtrans-10528.7-170.7-147.9179.4-177.3-1790114.8
326G42Very low52.8Low70 Ų70116.5 Ų116.572%0.72269%0.686SS**SBendtrans-138.7-7.6-175.900000117.3
327L44.1Very low55.7Low166 Ų166111.7 Ų111.787%0.86965%0.654SS**  trans-130.812.2-173.3-95.6169000115.8G329L327-G329 PolarHBondContact O-N 2.98Å; L327-G329 VanDerWaalsContact O-N 3.1Å
328V46Very low58.1Low132 Ų132102.7 Ų102.780%0.861%0.607SS**  trans-85.649.9163.2-165.40000109.7
329G44.8Very low60.7Low60 Ų60103.6 Ų103.662%0.61959%0.591SS**  trans-90.6116.8162.400000107.4L327 K331L327-G329 PolarHBondContact O-N 2.98Å; L327-G329 VanDerWaalsContact O-N 3.1Å; G329-K331 PolarHBondContact O-N 3.44Å
330S58.1Low63.2Low97 Ų97103 Ų10368%0.67858%0.575SS**  trans-72.270.6178.252.90000110.9S332S330-S332 PolarHBondContact O-N 2.96Å; S330-S332 VanDerWaalsContact O-N 3.16Å
331K68.1Low65.8Low118 Ų11895.6 Ų95.651%0.51354%0.539SS..  trans-61.7115.9179.1-162.8-168-175.3-163.10108.7G329 D337G329-K331 PolarHBondContact O-N 3.44Å; K331-D337 WeakPolarHBondContact CE-OD2 3.47Å; K331-D337 IonicContact NZ-OD1 2.64Å; K331-D337 PolarHBondContact NZ-OD1 2.98Å; K331-D337 IonicContact NZ-OD2 2.92Å; K331-D337 PolarHBondContact NZ-OD2 2.99Å
332S79.2Confident68.4Low54 Ų5486.8 Ų86.838%0.37850%0.5SS..BIsolated β-bridgetrans-67.2135.1168.251.20000109.6S330 S334 G372 K373S330-S332 PolarHBondContact O-N 2.96Å; S330-S332 VanDerWaalsContact O-N 3.16Å; S332-S334 PolarHBondContact O-N 2.91Å; S332-G372 WeakPolarHBondContact CB-O 3.49Å; S332-K373 WeakPolarHBondContact CA-O 3.46Å
333L83.4Confident71Confident2 Ų286.2 Ų86.21%0.0148%0.481CS..PPolyproline II helixtrans-62.2124.1175.4-72.3167.8000110.7M338 L370 G372 K373 M375 V381 T384L333-M338 HydrophobicContact CB-CE 4.24Å; L333-M338 HydrophobicContact CB-SD 4.09Å; L333-M338 HydrophobicContact CD1-SD 4.13Å; L333-M338 HydrophobicContact CD2-CG 4.15Å; L333-M338 HydrophobicContact CD2-SD 4.42Å; L333-M338 HydrophobicContact CG-SD 4.45Å; L333-L370 HydrophobicContact CD1-CB 4.03Å; L333-L370 HydrophobicContact CD1-CD1 4.41Å; L333-L370 HydrophobicContact CD1-CD2 4.47Å; L333-G372 PolarHBondContact O-N 2.82Å; L333-K373 PolarHBondContact N-O 3.11Å; L333-M375 HydrophobicContact CD1-CG 4.07Å; L333-M375 HydrophobicContact CD2-CE 4.02Å; L333-M375 HydrophobicContact CD2-CG 4.04Å; L333-M375 HydrophobicContact CD2-SD 3.71Å; L333-M375 HydrophobicContact CG-CG 3.95Å; L333-M375 HydrophobicContact CG-SD 4.3Å; L333-V381 HydrophobicContact CD2-CB 4.33Å; L333-V381 HydrophobicContact CD2-CG1 3.95Å; L333-V381 HydrophobicContact CD2-CG2 3.89Å; L333-T384 HydrophobicContact CD1-CG2 3.99Å
334S86.4Confident73.6Confident36 Ų3684.6 Ų84.625%0.25247%0.469SS..PPolyproline II helixtrans-93.8159.5164.667.50000110.3S332 E336 D337 M338S332-S334 PolarHBondContact O-N 2.91Å; S334-E336 PolarHBondContact O-N 3.35Å; S334-D337 PolarHBondContact O-N 3.31Å; S334-D337 PolarHBondContact OG-N 3.29Å; S334-D337 VanDerWaalsContact OG-N 3.16Å; S334-M338 WeakPolarHBondContact O-CE 3.44Å; S334-M338 PolarHBondContact O-N 2.86Å
335R87.8Confident76Confident86 Ų8679.3 Ų79.333%0.32544%0.441SS..Hα-helixtrans-59.2-38.4172.1-165.9162.8176.3150.5-6.6112D337 M338 E339 E364 N368R335-D337 PolarHBondContact O-N 3.02Å; R335-M338 PolarHBondContact O-N 2.93Å; R335-E339 PolarHBondContact O-N 3.02Å; R335-E364 IonicContact CZ-OE1 2.81Å; R335-E364 VanDerWaalsContact CZ-OE1 3.32Å; R335-E364 IonicContact NH1-OE1 3.91Å; R335-E364 PolarHBondContact NH1-OE1 2.95Å; R335-E364 IonicContact NH2-OE1 2.8Å; R335-E364 PolarHBondContact NH2-OE1 2.7Å; R335-N368 PolarHBondContact NH1-OD1 2.88Å
336E88.7Confident78.8Confident177 Ų17772.4 Ų72.483%0.82741%0.409SS*.Hα-helixtrans-57.4-40.8175.2-61.1170.3-174.500113.5S334 M338S334-E336 PolarHBondContact O-N 3.35Å; E336-M338 VanDerWaalsContact C-N 3.27Å; E336-M338 PolarHBondContact O-N 3.23Å
337D87.6Confident81.3Confident46 Ų4672.9 Ų72.925%0.24640%0.395CS..Hα-helixtrans-65-32.2175.8-78.4-24.6000112.1K331 S334 R335K331-D337 WeakPolarHBondContact CE-OD2 3.47Å; K331-D337 IonicContact NZ-OD1 2.64Å; K331-D337 PolarHBondContact NZ-OD1 2.98Å; K331-D337 IonicContact NZ-OD2 2.92Å; K331-D337 PolarHBondContact NZ-OD2 2.99Å; S334-D337 PolarHBondContact O-N 3.31Å; S334-D337 PolarHBondContact OG-N 3.29Å; S334-D337 VanDerWaalsContact OG-N 3.16Å; R335-D337 PolarHBondContact O-N 3.02Å
338M90.8Very high83.7Confident0 Ų066.8 Ų66.80%036%0.362CS..Hα-helixtrans-91.9-26.9-170.9-65.3-172-72.800113.9L333 S334 R335 E336 S340 V341 L342 A367 L370 E371 V381 V385L333-M338 HydrophobicContact CB-CE 4.24Å; L333-M338 HydrophobicContact CB-SD 4.09Å; L333-M338 HydrophobicContact CD1-SD 4.13Å; L333-M338 HydrophobicContact CD2-CG 4.15Å; L333-M338 HydrophobicContact CD2-SD 4.42Å; L333-M338 HydrophobicContact CG-SD 4.45Å; S334-M338 WeakPolarHBondContact O-CE 3.44Å; S334-M338 PolarHBondContact O-N 2.86Å; R335-M338 PolarHBondContact O-N 2.93Å; E336-M338 VanDerWaalsContact C-N 3.27Å; E336-M338 PolarHBondContact O-N 3.23Å; M338-S340 PolarHBondContact O-N 2.95Å; M338-V341 WeakPolarHBondContact O-CA 3.39Å; M338-V341 WeakPolarHBondContact O-CB 3.39Å; M338-V341 PolarHBondContact O-N 3.05Å; M338-L342 HydrophobicContact CB-CD1 3.68Å; M338-L342 HydrophobicContact CB-CG 4.2Å; M338-L342 WeakPolarHBondContact O-CG 3.4Å; M338-L342 PolarHBondContact O-N 3.42Å; M338-A367 WeakPolarHBondContact CE-O 3.44Å; M338-L370 HydrophobicContact CE-CB 4.13Å; M338-L370 HydrophobicContact SD-CB 3.62Å; M338-L370 HydrophobicContact SD-CD1 4.04Å; M338-E371 HydrophobicContact CE-CB 4.41Å; M338-V381 HydrophobicContact CG-CG1 3.91Å; M338-V385 HydrophobicContact CB-CG2 4.29Å; M338-V385 HydrophobicContact CG-CG2 3.99Å; M338-V385 HydrophobicContact SD-CG2 4Å
339E91.7Very high85.9Confident93 Ų9360.5 Ų60.544%0.43532%0.324SS..Hα-helixtrans-48.1-53.1-171-160.872.3-176.200112.8R335 V341 L342 D343R335-E339 PolarHBondContact O-N 3.02Å; E339-V341 PolarHBondContact O-N 2.68Å; E339-V341 VanDerWaalsContact O-N 3.09Å; E339-L342 PolarHBondContact O-N 3.37Å; E339-D343 PolarHBondContact O-N 3.4Å
340S92.6Very high88.2Confident70 Ų7060.8 Ų60.849%0.4931%0.311SS..Hα-helixtrans-67.6-11.5-178.273.20000115.6M338 K344M338-S340 PolarHBondContact O-N 2.95Å; S340-K344 WeakPolarHBondContact O-CD 3.34Å; S340-K344 WeakPolarHBondContact O-CE 3.18Å; S340-K344 WeakPolarHBondContact O-CG 3.3Å
341V92.6Very high89.9Confident13 Ų1359.4 Ų59.48%0.07931%0.305CS..Hα-helixtrans-92.6-43.8170.1179.50000109.8M338 E339 D343 K344 M345 V381 T382 V385M338-V341 WeakPolarHBondContact O-CA 3.39Å; M338-V341 WeakPolarHBondContact O-CB 3.39Å; M338-V341 PolarHBondContact O-N 3.05Å; E339-V341 PolarHBondContact O-N 2.68Å; E339-V341 VanDerWaalsContact O-N 3.09Å; V341-D343 VanDerWaalsContact C-N 3.34Å; V341-D343 PolarHBondContact O-N 2.94Å; V341-K344 PolarHBondContact O-N 2.83Å; V341-K344 VanDerWaalsContact O-N 3.15Å; V341-M345 HydrophobicContact CG1-CG 4.28Å; V341-M345 WeakPolarHBondContact O-CG 3.43Å; V341-M345 PolarHBondContact O-N 3.47Å; V341-V381 HydrophobicContact CG2-CG1 4.32Å; V341-T382 HydrophobicContact CG1-CG2 4.26Å; V341-V385 HydrophobicContact CG1-CB 3.88Å; V341-V385 HydrophobicContact CG1-CG1 3.81Å; V341-V385 HydrophobicContact CG1-CG2 4.32Å
342L93.4Very high91Very high10 Ų1054.3 Ų54.35%0.05228%0.283CS..Hα-helixtrans-62.3-38.8179.3-68.4165.6000112.1M338 E339 M345 R346 C363 V366 A367 V385M338-L342 HydrophobicContact CB-CD1 3.68Å; M338-L342 HydrophobicContact CB-CG 4.2Å; M338-L342 WeakPolarHBondContact O-CG 3.4Å; M338-L342 PolarHBondContact O-N 3.42Å; E339-L342 PolarHBondContact O-N 3.37Å; L342-M345 PolarHBondContact O-N 2.94Å; L342-R346 WeakPolarHBondContact O-CB 3.29Å; L342-R346 PolarHBondContact O-N 2.78Å; L342-C363 HydrophobicContact CB-CB 4.36Å; L342-C363 HydrophobicContact CD2-CB 4.1Å; L342-C363 WeakPolarHBondContact CD2-O 3.38Å; L342-C363 PolarHBondContact O-SG 3.21Å; L342-C363 VanDerWaalsContact O-SG 3.38Å; L342-V366 HydrophobicContact CD2-CG1 4.33Å; L342-A367 HydrophobicContact CD1-CB 3.55Å; L342-V385 HydrophobicContact CD2-CG1 3.62Å; L342-V385 HydrophobicContact CG-CG1 4.25Å
343D94.6Very high91.6Very high58 Ų5853.6 Ų53.631%0.3128%0.275SS..Hα-helixtrans-52.1-54.7168.6-86.2-43.6000111.3E339 V341 M345 R346 D347E339-D343 PolarHBondContact O-N 3.4Å; V341-D343 VanDerWaalsContact C-N 3.34Å; V341-D343 PolarHBondContact O-N 2.94Å; D343-M345 VanDerWaalsContact C-N 3.32Å; D343-M345 PolarHBondContact O-N 3.09Å; D343-R346 WeakPolarHBondContact O-CB 3.39Å; D343-R346 PolarHBondContact O-N 3.21Å; D343-R346 IonicContact OD1-CZ 2.83Å; D343-R346 IonicContact OD1-NH1 3.37Å; D343-R346 PolarHBondContact OD1-NH1 3.28Å; D343-R346 IonicContact OD1-NH2 2.78Å; D343-R346 PolarHBondContact OD1-NH2 2.89Å; D343-D347 PolarHBondContact O-N 3Å
344K94.1Very high92Very high141 Ų14153.7 Ų53.761%0.61328%0.276SS*.Hα-helixtrans-66.1-34.9-177.1-65.9172.3-173.4165.70112.3S340 V341 H348S340-K344 WeakPolarHBondContact O-CD 3.34Å; S340-K344 WeakPolarHBondContact O-CE 3.18Å; S340-K344 WeakPolarHBondContact O-CG 3.3Å; V341-K344 PolarHBondContact O-N 2.83Å; V341-K344 VanDerWaalsContact O-N 3.15Å; K344-H348 WeakPolarHBondContact O-CB 3.3Å; K344-H348 PolarHBondContact O-N 3.15Å
345M93.3Very high92.3Very high28 Ų2852 Ų5214%0.13827%0.265CS..Hα-helixtrans-68.9-43.7173.9-66.3-64.895.800111.3V341 L342 D343 D347 H348 L349 V385 K386 L389 M636V341-M345 HydrophobicContact CG1-CG 4.28Å; V341-M345 WeakPolarHBondContact O-CG 3.43Å; V341-M345 PolarHBondContact O-N 3.47Å; L342-M345 PolarHBondContact O-N 2.94Å; D343-M345 VanDerWaalsContact C-N 3.32Å; D343-M345 PolarHBondContact O-N 3.09Å; M345-D347 PolarHBondContact O-N 2.87Å; M345-H348 PolarHBondContact O-N 2.72Å; M345-L349 VanDerWaalsContact O-CG 3.27Å; M345-L349 WeakPolarHBondContact O-CG 3.49Å; M345-L349 PolarHBondContact O-N 3.17Å; M345-V385 HydrophobicContact CG-CG1 4.3Å; M345-K386 HydrophobicContact SD-CG 4.4Å; M345-L389 HydrophobicContact CB-CD2 3.73Å; M345-L389 HydrophobicContact CG-CD2 4.04Å; M345-L389 HydrophobicContact SD-CD2 4.24Å; M345-M636 HydrophobicContact SD-CE 4.13Å
346R94.9Very high92.5Very high63 Ų6349.4 Ų49.424%0.23826%0.261CS..Hα-helixtrans-56.7-51.1174.3175.3-160.663-127.2-12.2110.5L342 D343 H348 L349 I350 A359 V360L342-R346 WeakPolarHBondContact O-CB 3.29Å; L342-R346 PolarHBondContact O-N 2.78Å; D343-R346 WeakPolarHBondContact O-CB 3.39Å; D343-R346 PolarHBondContact O-N 3.21Å; D343-R346 IonicContact OD1-CZ 2.83Å; D343-R346 IonicContact OD1-NH1 3.37Å; D343-R346 PolarHBondContact OD1-NH1 3.28Å; D343-R346 IonicContact OD1-NH2 2.78Å; D343-R346 PolarHBondContact OD1-NH2 2.89Å; R346-H348 VanDerWaalsContact C-N 3.31Å; R346-H348 PolarHBondContact O-N 3.47Å; R346-L349 PolarHBondContact O-N 3.09Å; R346-I350 HydrophobicContact CG-CD1 3.86Å; R346-I350 WeakPolarHBondContact O-CG1 3.46Å; R346-I350 PolarHBondContact O-N 3.08Å; R346-A359 HydrophobicContact CG-CB 4.13Å; R346-V360 HydrophobicContact CG-CG2 4.26Å
347D94.9Very high92.6Very high81 Ų8146.7 Ų46.743%0.43325%0.252SS..Hα-helixtrans-67.4-34.3-175.2-60.8-16.5000111.4D343 M345 A351D343-D347 PolarHBondContact O-N 3Å; M345-D347 PolarHBondContact O-N 2.87Å; D347-A351 WeakPolarHBondContact O-CB 3.31Å; D347-A351 PolarHBondContact O-N 2.74Å
348H94.1Very high92.7Very high37 Ų3744.8 Ų44.817%0.17124%0.242CC..Hα-helixtrans-66.2-45.6171.7-179.8-117.7000112.7K344 M345 R346 I350 A351 K352 L635 K637K344-H348 WeakPolarHBondContact O-CB 3.3Å; K344-H348 PolarHBondContact O-N 3.15Å; M345-H348 PolarHBondContact O-N 2.72Å; R346-H348 VanDerWaalsContact C-N 3.31Å; R346-H348 PolarHBondContact O-N 3.47Å; H348-I350 VanDerWaalsContact C-N 3.33Å; H348-I350 PolarHBondContact O-N 3.18Å; H348-A351 PolarHBondContact O-N 2.73Å; H348-K352 VanDerWaalsContact NE2-CE 3.28Å; H348-K352 WeakPolarHBondContact NE2-CE 3.3Å; H348-K352 VanDerWaalsContact O-CG 3.28Å; H348-K352 WeakPolarHBondContact O-CG 3.48Å; H348-K352 PolarHBondContact O-N 3.09Å; H348-L635 PolarHBondContact CE1-O 3.39Å; H348-K637 PolarHBondContact CE1-O 3.34Å; H348-K637 PolarHBondContact NE2-O 2.96Å; H348-K637 VanDerWaalsContact NE2-O 3.09Å
349L93.6Very high92.9Very high0 Ų044.8 Ų44.80%024%0.242CC..Hα-helixtrans-59.7-42.9174.7-70.7175.2000111.6M345 R346 K352 N353 V354 A359 L362 L389 L393 L635 M636M345-L349 VanDerWaalsContact O-CG 3.27Å; M345-L349 WeakPolarHBondContact O-CG 3.49Å; M345-L349 PolarHBondContact O-N 3.17Å; R346-L349 PolarHBondContact O-N 3.09Å; L349-K352 CarbonylContact O-C 3.4Å; L349-K352 PolarHBondContact O-N 2.91Å; L349-N353 PolarHBondContact O-N 3.04Å; L349-V354 HydrophobicContact CB-CB 4.04Å; L349-V354 HydrophobicContact CB-CG2 3.97Å; L349-V354 HydrophobicContact CD2-CG2 4.12Å; L349-V354 VanDerWaalsContact O-CB 3.28Å; L349-V354 WeakPolarHBondContact O-CB 3.41Å; L349-V354 WeakPolarHBondContact O-CG2 3.4Å; L349-V354 PolarHBondContact O-N 3.34Å; L349-A359 HydrophobicContact CB-CB 4.01Å; L349-A359 HydrophobicContact CD1-CB 4.32Å; L349-L362 HydrophobicContact CD1-CD1 4.32Å; L349-L389 HydrophobicContact CD1-CD1 4.25Å; L349-L389 HydrophobicContact CD1-CD2 4.14Å; L349-L393 HydrophobicContact CD2-CD1 4.21Å; L349-L635 HydrophobicContact CD2-CD1 4.14Å; L349-L635 HydrophobicContact CD2-CD2 3.92Å; L349-L635 HydrophobicContact CD2-CG 3.94Å; L349-M636 HydrophobicContact CD2-SD 4.38Å
350I93.3Very high92.9Very high67 Ų6743.8 Ų43.834%0.34424%0.242SC..Hα-helixtrans-63.6-44.2176.6-68.6171.6000110.9R346 H348 K352 N353 A356 A359R346-I350 HydrophobicContact CG-CD1 3.86Å; R346-I350 WeakPolarHBondContact O-CG1 3.46Å; R346-I350 PolarHBondContact O-N 3.08Å; H348-I350 VanDerWaalsContact C-N 3.33Å; H348-I350 PolarHBondContact O-N 3.18Å; I350-K352 PolarHBondContact O-N 2.82Å; I350-N353 PolarHBondContact O-N 3.41Å; I350-A356 HydrophobicContact CD1-CB 4.01Å; I350-A356 HydrophobicContact CG1-CB 4.37Å; I350-A359 HydrophobicContact CD1-CB 4.25Å; I350-A359 HydrophobicContact CG1-CB 3.75Å
351A92.3Very high92.8Very high68 Ų6843.6 Ų43.656%0.56223%0.233SC*.Hα-helixtrans-61.1-31.7175.700000113D347 H348 N353D347-A351 WeakPolarHBondContact O-CB 3.31Å; D347-A351 PolarHBondContact O-N 2.74Å; H348-A351 PolarHBondContact O-N 2.73Å; A351-N353 PolarHBondContact O-N 2.97Å
352K92Very high92.8Very high10 Ų1043.1 Ų43.14%0.04323%0.23CC..THydrogen-bonded Turntrans-8620.4173.6-58.5-86.2-174.6171.80113.5H348 L349 I350 V354 D595 K596 G598 L635 K637H348-K352 VanDerWaalsContact NE2-CE 3.28Å; H348-K352 WeakPolarHBondContact NE2-CE 3.3Å; H348-K352 VanDerWaalsContact O-CG 3.28Å; H348-K352 WeakPolarHBondContact O-CG 3.48Å; H348-K352 PolarHBondContact O-N 3.09Å; L349-K352 CarbonylContact O-C 3.4Å; L349-K352 PolarHBondContact O-N 2.91Å; I350-K352 PolarHBondContact O-N 2.82Å; K352-V354 PolarHBondContact O-N 3.36Å; K352-D595 HydrophobicContact CD-CB 4.43Å; K352-D595 IonicContact NZ-OD2 3.36Å; K352-D595 PolarHBondContact NZ-OD2 2.92Å; K352-K596 CarbonylContact O-C 3.12Å; K352-K596 WeakPolarHBondContact O-CA 3.45Å; K352-G598 WeakPolarHBondContact O-CA 3.39Å; K352-G598 PolarHBondContact O-N 2.82Å; K352-L635 HydrophobicContact CB-CD1 3.4Å; K352-L635 HydrophobicContact CG-CD1 4.04Å; K352-K637 WeakPolarHBondContact CE-O 3.26Å; K352-K637 PolarHBondContact NZ-O 3.4Å
353N91.6Very high92.7Very high39 Ų3943.2 Ų43.221%0.20923%0.231CC..THydrogen-bonded Turntrans67.226.6175.1-157.734.3000115.7L349 I350 A351 A553 L554 G556 K596 G598 A599L349-N353 PolarHBondContact O-N 3.04Å; I350-N353 PolarHBondContact O-N 3.41Å; A351-N353 PolarHBondContact O-N 2.97Å; N353-A553 PolarHBondContact ND2-O 2.9Å; N353-L554 PolarHBondContact ND2-O 3.14Å; N353-G556 WeakPolarHBondContact OD1-CA 3.21Å; N353-G556 PolarHBondContact OD1-N 2.76Å; N353-K596 HydrophobicContact CB-CB 3.99Å; N353-G598 CarbonylContact O-C 3.59Å; N353-A599 PolarHBondContact O-N 3.47Å; N353-A599 VanDerWaalsContact O-N 3.17Å
354V93Very high92.6Very high4 Ų444.1 Ų44.12%0.02423%0.234CC..  trans-76.3136.2163-177.60000108.8L349 K352 A356 I358 A359 L362 G598 I601 L635L349-V354 HydrophobicContact CB-CB 4.04Å; L349-V354 HydrophobicContact CB-CG2 3.97Å; L349-V354 HydrophobicContact CD2-CG2 4.12Å; L349-V354 VanDerWaalsContact O-CB 3.28Å; L349-V354 WeakPolarHBondContact O-CB 3.41Å; L349-V354 WeakPolarHBondContact O-CG2 3.4Å; L349-V354 PolarHBondContact O-N 3.34Å; K352-V354 PolarHBondContact O-N 3.36Å; V354-A356 PolarHBondContact O-N 3.37Å; V354-I358 HydrophobicContact CG1-CB 4.31Å; V354-I358 HydrophobicContact CG1-CG2 4.4Å; V354-A359 HydrophobicContact CG1-CB 4.23Å; V354-L362 HydrophobicContact CG1-CD1 4.47Å; V354-G598 VanDerWaalsContact CG2-CA 3.42Å; V354-I601 HydrophobicContact CG2-CB 4.44Å; V354-I601 HydrophobicContact CG2-CG1 4.39Å; V354-L635 HydrophobicContact CG2-CD1 4.1Å; V354-L635 HydrophobicContact CG2-CD2 4.37Å
355A91.8Very high92.2Very high2 Ų238.1 Ų38.12%0.01721%0.21CC..  trans-60.9136.9178.300000111.8D357 I358 A359 N557 V560 S602A355-D357 PolarHBondContact O-N 3.15Å; A355-I358 HydrophobicContact CB-CB 4.44Å; A355-I358 HydrophobicContact CB-CG1 3.93Å; A355-I358 WeakPolarHBondContact O-CA 3.43Å; A355-I358 WeakPolarHBondContact O-CB 3.27Å; A355-I358 PolarHBondContact O-N 3.38Å; A355-A359 PolarHBondContact O-N 2.92Å; A355-N557 WeakPolarHBondContact CA-OD1 3.47Å; A355-N557 WeakPolarHBondContact CB-OD1 3.2Å; A355-V560 HydrophobicContact CB-CG2 3.54Å; A355-S602 PolarHBondContact N-OG 3.05Å
356A91.8Very high92.1Very high30 Ų3036.9 Ų36.925%0.24820%0.204CC..Hα-helixtrans-59.8-47.5-164.500000113.6I350 V354 I358 A359 V360 N557I350-A356 HydrophobicContact CD1-CB 4.01Å; I350-A356 HydrophobicContact CG1-CB 4.37Å; V354-A356 PolarHBondContact O-N 3.37Å; A356-I358 PolarHBondContact O-N 3.04Å; A356-A359 PolarHBondContact O-N 3.39Å; A356-V360 WeakPolarHBondContact O-CG2 3.37Å; A356-V360 PolarHBondContact O-N 3.47Å; A356-N557 PolarHBondContact N-OD1 2.85Å
357D90.5Very high91.8Very high120 Ų12034 Ų3464%0.64219%0.193SC*.Hα-helixtrans-61.5-28.8177.5-60.2-17.6000112.4A355 Q361A355-D357 PolarHBondContact O-N 3.15Å; D357-Q361 VanDerWaalsContact O-CG 3.27Å; D357-Q361 WeakPolarHBondContact O-CG 3.44Å; D357-Q361 PolarHBondContact O-N 3.01Å; D357-Q361 VanDerWaalsContact O-N 3.14Å; D357-Q361 PolarHBondContact O-NE2 2.89Å
358I91.1Very high91.4Very high7 Ų732.8 Ų32.84%0.03619%0.187CC..Hα-helixtrans-78.2-43.3178.6-50-50.7000109.6V354 A355 A356 V360 Q361 L362 V560 Y605 I606V354-I358 HydrophobicContact CG1-CB 4.31Å; V354-I358 HydrophobicContact CG1-CG2 4.4Å; A355-I358 HydrophobicContact CB-CB 4.44Å; A355-I358 HydrophobicContact CB-CG1 3.93Å; A355-I358 WeakPolarHBondContact O-CA 3.43Å; A355-I358 WeakPolarHBondContact O-CB 3.27Å; A355-I358 PolarHBondContact O-N 3.38Å; A356-I358 PolarHBondContact O-N 3.04Å; I358-V360 VanDerWaalsContact C-N 3.28Å; I358-V360 PolarHBondContact O-N 3.38Å; I358-Q361 PolarHBondContact O-N 3.37Å; I358-L362 HydrophobicContact CG2-CD1 3.99Å; I358-L362 HydrophobicContact CG2-CG 4.29Å; I358-L362 WeakPolarHBondContact O-CB 3.38Å; I358-L362 WeakPolarHBondContact O-CG 3.3Å; I358-L362 PolarHBondContact O-N 2.85Å; I358-V560 HydrophobicContact CG1-CG2 4.48Å; I358-Y605 HydrophobicContact CD1-CD1 3.74Å; I358-Y605 HydrophobicContact CD1-CE1 3.89Å; I358-Y605 HydrophobicContact CG1-CD1 4.46Å; I358-Y605 HydrophobicContact CG2-CD1 3.76Å; I358-Y605 HydrophobicContact CG2-CD2 4.24Å; I358-Y605 HydrophobicContact CG2-CE1 4.22Å; I358-Y605 HydrophobicContact CG2-CG 3.76Å; I358-I606 HydrophobicContact CD1-CD1 4.21Å; I358-I606 HydrophobicContact CD1-CG1 4.08Å
359A93.1Very high90.9Very high0 Ų032.7 Ų32.70%019%0.186CC..Hα-helixtrans-57.8-39.8173.300000112.2R346 L349 I350 V354 A355 A356 C363R346-A359 HydrophobicContact CG-CB 4.13Å; L349-A359 HydrophobicContact CB-CB 4.01Å; L349-A359 HydrophobicContact CD1-CB 4.32Å; I350-A359 HydrophobicContact CD1-CB 4.25Å; I350-A359 HydrophobicContact CG1-CB 3.75Å; V354-A359 HydrophobicContact CG1-CB 4.23Å; A355-A359 PolarHBondContact O-N 2.92Å; A356-A359 PolarHBondContact O-N 3.39Å; A359-C363 PolarHBondContact O-N 3.15Å; A359-C363 VanDerWaalsContact O-N 3.08Å
360V93.2Very high90.6Very high71 Ų7133.2 Ų33.243%0.4319%0.189SC..Hα-helixtrans-63.3-51.3173.7173.30000111.6R346 A356 I358 L362 C363 E364R346-V360 HydrophobicContact CG-CG2 4.26Å; A356-V360 WeakPolarHBondContact O-CG2 3.37Å; A356-V360 PolarHBondContact O-N 3.47Å; I358-V360 VanDerWaalsContact C-N 3.28Å; I358-V360 PolarHBondContact O-N 3.38Å; V360-L362 VanDerWaalsContact C-N 3.29Å; V360-L362 PolarHBondContact O-N 3.04Å; V360-C363 PolarHBondContact O-N 3.09Å; V360-E364 PolarHBondContact O-N 2.87Å
361Q90.7Very high90.2Very high66 Ų6634.2 Ų34.231%0.30819%0.192SC..Hα-helixtrans-61.4-35.1179.1-75166.964.900113.1D357 I358 S365 Y605D357-Q361 VanDerWaalsContact O-CG 3.27Å; D357-Q361 WeakPolarHBondContact O-CG 3.44Å; D357-Q361 PolarHBondContact O-N 3.01Å; D357-Q361 VanDerWaalsContact O-N 3.14Å; D357-Q361 PolarHBondContact O-NE2 2.89Å; I358-Q361 PolarHBondContact O-N 3.37Å; Q361-S365 VanDerWaalsContact O-CB 3.27Å; Q361-S365 WeakPolarHBondContact O-CB 3.27Å; Q361-S365 PolarHBondContact O-N 2.94Å; Q361-S365 PolarHBondContact O-OG 3.28Å; Q361-Y605 WeakPolarHBondContact CB-OH 3.5Å; Q361-Y605 PolarHBondContact OE1-OH 3.48Å
362L91.1Very high89.7Confident4 Ų431.7 Ų31.72%0.02117%0.173CC..Hα-helixtrans-66.3-48.9175.5-70.6168.9000111.4L349 V354 I358 V360 E364 S365 V366 L389 L393 I396 I601 Y605L349-L362 HydrophobicContact CD1-CD1 4.32Å; V354-L362 HydrophobicContact CG1-CD1 4.47Å; I358-L362 HydrophobicContact CG2-CD1 3.99Å; I358-L362 HydrophobicContact CG2-CG 4.29Å; I358-L362 WeakPolarHBondContact O-CB 3.38Å; I358-L362 WeakPolarHBondContact O-CG 3.3Å; I358-L362 PolarHBondContact O-N 2.85Å; V360-L362 VanDerWaalsContact C-N 3.29Å; V360-L362 PolarHBondContact O-N 3.04Å; L362-E364 PolarHBondContact O-N 3.11Å; L362-S365 PolarHBondContact O-N 2.81Å; L362-V366 VanDerWaalsContact O-CG2 3.31Å; L362-V366 WeakPolarHBondContact O-CG2 3.44Å; L362-V366 PolarHBondContact O-N 2.86Å; L362-L389 HydrophobicContact CB-CD1 4.18Å; L362-L393 HydrophobicContact CD1-CD2 3.92Å; L362-I396 HydrophobicContact CD2-CD1 3.26Å; L362-I601 HydrophobicContact CD1-CG2 4.06Å; L362-Y605 HydrophobicContact CD2-CD2 4.16Å; L362-Y605 HydrophobicContact CD2-CE2 4.06Å
363C92.6Very high89.1Confident11 Ų1134.2 Ų34.27%0.07418%0.184CC..Hα-helixtrans-61.9-41.4176.8-74.90000111.9L342 A359 V360 V366 A367L342-C363 HydrophobicContact CB-CB 4.36Å; L342-C363 HydrophobicContact CD2-CB 4.1Å; L342-C363 WeakPolarHBondContact CD2-O 3.38Å; L342-C363 PolarHBondContact O-SG 3.21Å; L342-C363 VanDerWaalsContact O-SG 3.38Å; A359-C363 PolarHBondContact O-N 3.15Å; A359-C363 VanDerWaalsContact O-N 3.08Å; V360-C363 PolarHBondContact O-N 3.09Å; C363-V366 PolarHBondContact O-N 3.5Å; C363-A367 WeakPolarHBondContact O-CB 3.35Å; C363-A367 PolarHBondContact O-N 2.76Å
364E90.9Very high88.5Confident77 Ų7736.4 Ų36.436%0.3620%0.199SC..Hα-helixtrans-65.9-41.7174.4176147.5-122.200112.5R335 V360 L362 V366 A367 N368R335-E364 IonicContact CZ-OE1 2.81Å; R335-E364 VanDerWaalsContact CZ-OE1 3.32Å; R335-E364 IonicContact NH1-OE1 3.91Å; R335-E364 PolarHBondContact NH1-OE1 2.95Å; R335-E364 IonicContact NH2-OE1 2.8Å; R335-E364 PolarHBondContact NH2-OE1 2.7Å; V360-E364 PolarHBondContact O-N 2.87Å; L362-E364 PolarHBondContact O-N 3.11Å; E364-V366 VanDerWaalsContact C-N 3.3Å; E364-V366 PolarHBondContact O-N 3.42Å; E364-A367 WeakPolarHBondContact O-CB 3.29Å; E364-A367 PolarHBondContact O-N 2.84Å; E364-N368 WeakPolarHBondContact CG-ND2 3.14Å; E364-N368 WeakPolarHBondContact O-CB 3.48Å; E364-N368 PolarHBondContact O-N 3.44Å; E364-N368 PolarHBondContact O-ND2 2.9Å; E364-N368 VanDerWaalsContact O-ND2 3.09Å
365S87.2Confident87.9Confident16 Ų1638.5 Ų38.511%0.11221%0.209CC..Hα-helixtrans-59.8-41.2175.5-64.20000111.7G42 Q361 L362 K369G42-S365 WeakPolarHBondContact CA-OG 3.24Å; G42-S365 PolarHBondContact O-OG 3.13Å; Q361-S365 VanDerWaalsContact O-CB 3.27Å; Q361-S365 WeakPolarHBondContact O-CB 3.27Å; Q361-S365 PolarHBondContact O-N 2.94Å; Q361-S365 PolarHBondContact O-OG 3.28Å; L362-S365 PolarHBondContact O-N 2.81Å; S365-K369 WeakPolarHBondContact O-CB 3.29Å; S365-K369 PolarHBondContact O-N 3.36Å
366V90.5Very high87.1Confident2 Ų240.4 Ų40.41%0.01223%0.229CC..Hα-helixtrans-68.5-42.3175.4171.30000112L342 L362 C363 E364 N368 K369 L370 V385 A388 L389L342-V366 HydrophobicContact CD2-CG1 4.33Å; L362-V366 VanDerWaalsContact O-CG2 3.31Å; L362-V366 WeakPolarHBondContact O-CG2 3.44Å; L362-V366 PolarHBondContact O-N 2.86Å; C363-V366 PolarHBondContact O-N 3.5Å; E364-V366 VanDerWaalsContact C-N 3.3Å; E364-V366 PolarHBondContact O-N 3.42Å; V366-N368 PolarHBondContact O-N 3.2Å; V366-K369 PolarHBondContact O-N 3.22Å; V366-L370 HydrophobicContact CG1-CD1 3.99Å; V366-L370 WeakPolarHBondContact O-CB 3.48Å; V366-L370 PolarHBondContact O-N 3.23Å; V366-V385 HydrophobicContact CG1-CG1 4.22Å; V366-A388 HydrophobicContact CG1-CB 3.97Å; V366-L389 HydrophobicContact CG1-CB 4.47Å; V366-L389 HydrophobicContact CG2-CB 3.95Å; V366-L389 HydrophobicContact CG2-CD1 3.97Å
367A89.3Confident86.4Confident2 Ų244.8 Ų44.82%0.01725%0.252CS..Hα-helixtrans-56.7-52175.600000110.8M338 L342 C363 E364 K369 L370 E371M338-A367 WeakPolarHBondContact CE-O 3.44Å; L342-A367 HydrophobicContact CD1-CB 3.55Å; C363-A367 WeakPolarHBondContact O-CB 3.35Å; C363-A367 PolarHBondContact O-N 2.76Å; E364-A367 WeakPolarHBondContact O-CB 3.29Å; E364-A367 PolarHBondContact O-N 2.84Å; A367-K369 VanDerWaalsContact C-N 3.35Å; A367-K369 PolarHBondContact O-N 3.48Å; A367-L370 PolarHBondContact O-N 3.35Å; A367-E371 WeakPolarHBondContact O-CB 3.17Å; A367-E371 PolarHBondContact O-N 3.08Å
368N86Confident85.8Confident56 Ų5648.6 Ų48.630%0.29926%0.264SS..Hα-helixtrans-60.1-44.1177.6-65.6-31.5000111.2N60 R335 E364 V366 L370 E371N60-N368 PolarHBondContact ND2-O 3.2Å; R335-N368 PolarHBondContact NH1-OD1 2.88Å; E364-N368 WeakPolarHBondContact CG-ND2 3.14Å; E364-N368 WeakPolarHBondContact O-CB 3.48Å; E364-N368 PolarHBondContact O-N 3.44Å; E364-N368 PolarHBondContact O-ND2 2.9Å; E364-N368 VanDerWaalsContact O-ND2 3.09Å; V366-N368 PolarHBondContact O-N 3.2Å; N368-L370 VanDerWaalsContact C-N 3.27Å; N368-L370 PolarHBondContact O-N 3.27Å; N368-E371 PolarHBondContact O-N 3.04Å
369K83.8Confident85.3Confident35 Ų3550.7 Ų50.715%0.15228%0.279CS..Hα-helixtrans-63.7-26.3179.8178.5171.9174.61710114E40 S365 V366 A367 S392E40-K369 VanDerWaalsContact OE1-CE 3.25Å; E40-K369 WeakPolarHBondContact OE1-CE 3.41Å; E40-K369 IonicContact OE1-NZ 3.61Å; E40-K369 PolarHBondContact OE1-NZ 2.88Å; E40-K369 IonicContact OE2-NZ 3.85Å; E40-K369 PolarHBondContact OE2-NZ 3.34Å; S365-K369 WeakPolarHBondContact O-CB 3.29Å; S365-K369 PolarHBondContact O-N 3.36Å; V366-K369 PolarHBondContact O-N 3.22Å; A367-K369 VanDerWaalsContact C-N 3.35Å; A367-K369 PolarHBondContact O-N 3.48Å; K369-S392 PolarHBondContact NZ-OG 3.48Å
370L86.1Confident85Confident11 Ų1154.6 Ų54.66%0.05830%0.303CS..Hα-helixtrans-100.6-21.5179.5-71.8-179000114.5L333 M338 V366 A367 N368 G372 K373 T384 V385 A388L333-L370 HydrophobicContact CD1-CB 4.03Å; L333-L370 HydrophobicContact CD1-CD1 4.41Å; L333-L370 HydrophobicContact CD1-CD2 4.47Å; M338-L370 HydrophobicContact CE-CB 4.13Å; M338-L370 HydrophobicContact SD-CB 3.62Å; M338-L370 HydrophobicContact SD-CD1 4.04Å; V366-L370 HydrophobicContact CG1-CD1 3.99Å; V366-L370 WeakPolarHBondContact O-CB 3.48Å; V366-L370 PolarHBondContact O-N 3.23Å; A367-L370 PolarHBondContact O-N 3.35Å; N368-L370 VanDerWaalsContact C-N 3.27Å; N368-L370 PolarHBondContact O-N 3.27Å; L370-G372 PolarHBondContact O-N 2.68Å; L370-K373 WeakPolarHBondContact O-CB 3.39Å; L370-K373 PolarHBondContact O-N 2.72Å; L370-T384 HydrophobicContact CD1-CG2 4.18Å; L370-T384 HydrophobicContact CD2-CG2 3.84Å; L370-V385 HydrophobicContact CD1-CB 4.33Å; L370-V385 HydrophobicContact CD1-CG2 3.85Å; L370-A388 HydrophobicContact CD1-CB 3.85Å; L370-A388 HydrophobicContact CD2-CB 3.97Å; L370-A388 HydrophobicContact CG-CB 3.97Å
371E86.1Confident84.7Confident87 Ų8752.8 Ų52.841%0.40729%0.292SS..THydrogen-bonded Turntrans-56.6129.9-179.3-174.6164.8-13800111.8M338 A367 N368 K373M338-E371 HydrophobicContact CE-CB 4.41Å; A367-E371 WeakPolarHBondContact O-CB 3.17Å; A367-E371 PolarHBondContact O-N 3.08Å; N368-E371 PolarHBondContact O-N 3.04Å; E371-K373 PolarHBondContact O-N 3.03Å
372G80.4Confident84.6Confident16 Ų1653.4 Ų53.417%0.16530%0.3CS..THydrogen-bonded Turntrans79.4-18.5-175.200000115.3Q61 S332 L333 L370Q61-G372 WeakPolarHBondContact CG-O 3.36Å; Q61-G372 PolarHBondContact NE2-O 2.74Å; S332-G372 WeakPolarHBondContact CB-O 3.49Å; L333-G372 PolarHBondContact O-N 2.82Å; L370-G372 PolarHBondContact O-N 2.68Å
373K80.9Confident84.6Confident63 Ų6355.7 Ų55.727%0.27432%0.317SS..PPolyproline II helixtrans-65.4142.9176.3-72.5-161.3166.1-160.30111N60 E63 S332 L333 L370 E371N60-K373 WeakPolarHBondContact O-CE 3.38Å; N60-K373 WeakPolarHBondContact O-CG 3.39Å; E63-K373 IonicContact OE1-NZ 3.17Å; E63-K373 PolarHBondContact OE1-NZ 2.97Å; S332-K373 WeakPolarHBondContact CA-O 3.46Å; L333-K373 PolarHBondContact N-O 3.11Å; L370-K373 WeakPolarHBondContact O-CB 3.39Å; L370-K373 PolarHBondContact O-N 2.72Å; E371-K373 PolarHBondContact O-N 3.03Å
374V78.8Confident84.4Confident85 Ų8556.3 Ų56.352%0.51532%0.32SS..BIsolated β-bridgetrans-83.2136.7172.4-67.60000109.8
375M79.9Confident84.4Confident48 Ų4852.7 Ų52.724%0.23630%0.303CS..PPolyproline II helixtrans-72149.8175.2-71.7178.2-7600111.4L333 V381L333-M375 HydrophobicContact CD1-CG 4.07Å; L333-M375 HydrophobicContact CD2-CE 4.02Å; L333-M375 HydrophobicContact CD2-CG 4.04Å; L333-M375 HydrophobicContact CD2-SD 3.71Å; L333-M375 HydrophobicContact CG-CG 3.95Å; L333-M375 HydrophobicContact CG-SD 4.3Å; M375-V381 HydrophobicContact CE-CG2 4.28Å; M375-V381 HydrophobicContact SD-CG2 3.88Å
376G75.7Confident84.6Confident42 Ų4255.4 Ų55.443%0.43331%0.313SS..PPolyproline II helixtrans-66.7157169.700000112.1F378 S379G376-F378 PolarHBondContact O-N 2.91Å; G376-S379 WeakPolarHBondContact O-CB 3.49Å; G376-S379 PolarHBondContact O-N 3.14Å
377T76.8Confident84.6Confident122 Ų12260.9 Ų60.975%0.74834%0.338SS*.THydrogen-bonded Turntrans-54.9-24-171.2-430000115.2
378F78.1Confident84.7Confident200 Ų20061 Ų6188%0.87734%0.339SS*.THydrogen-bonded Turntrans-12315.1178.7-57.5-74.8000112.8G376G376-F378 PolarHBondContact O-N 2.91Å
379S80.9Confident85Confident51 Ų5158.4 Ų58.436%0.35733%0.325SS..  trans-92.2130.4-177.7-55.60000111.1G376G376-S379 WeakPolarHBondContact O-CB 3.49Å; G376-S379 PolarHBondContact O-N 3.14Å
380T87.1Confident85.4Confident81 Ų8160.5 Ų60.550%0.49734%0.336SS..  trans-87.8161.9167670000110.7T382 S383 T384T380-T382 VanDerWaalsContact C-N 3.28Å; T380-T382 PolarHBondContact O-N 3.08Å; T380-S383 PolarHBondContact N-OG 3.4Å; T380-S383 PolarHBondContact O-N 3.14Å; T380-S383 PolarHBondContact O-OG 3.09Å; T380-S383 WeakPolarHBondContact OG1-CB 3.43Å; T380-S383 PolarHBondContact OG1-N 3.17Å; T380-S383 PolarHBondContact OG1-OG 2.99Å; T380-T384 WeakPolarHBondContact O-CB 3.36Å; T380-T384 PolarHBondContact O-N 2.82Å; T380-T384 PolarHBondContact O-OG1 2.86Å
381V86.9Confident85.6Confident34 Ų3464.3 Ų64.321%0.20635%0.353CS..Hα-helixtrans-53.8-48.9170.2-175.60000110L333 M338 V341 M375 S383 T384 V385L333-V381 HydrophobicContact CD2-CB 4.33Å; L333-V381 HydrophobicContact CD2-CG1 3.95Å; L333-V381 HydrophobicContact CD2-CG2 3.89Å; M338-V381 HydrophobicContact CG-CG1 3.91Å; V341-V381 HydrophobicContact CG2-CG1 4.32Å; M375-V381 HydrophobicContact CE-CG2 4.28Å; M375-V381 HydrophobicContact SD-CG2 3.88Å; V381-S383 PolarHBondContact O-N 2.97Å; V381-T384 PolarHBondContact O-N 3.28Å; V381-T384 VanDerWaalsContact O-N 3.17Å; V381-V385 HydrophobicContact CG1-CG2 4.23Å; V381-V385 WeakPolarHBondContact O-CG2 3.23Å; V381-V385 PolarHBondContact O-N 2.92Å
382T88.3Confident85.8Confident78 Ų7860.5 Ų60.548%0.47934%0.336SS..Hα-helixtrans-56.5-48.2179.4-47.20000113.1V341 T380 K386V341-T382 HydrophobicContact CG1-CG2 4.26Å; T380-T382 VanDerWaalsContact C-N 3.28Å; T380-T382 PolarHBondContact O-N 3.08Å; T382-K386 VanDerWaalsContact O-CB 3.24Å; T382-K386 WeakPolarHBondContact O-CB 3.16Å; T382-K386 PolarHBondContact O-N 3.4Å
383S89.4Confident86.3Confident53 Ų5359.8 Ų59.837%0.37133%0.329SS..Hα-helixtrans-67.5-36.1178.454.40000112.3T380 V381 Q387T380-S383 PolarHBondContact N-OG 3.4Å; T380-S383 PolarHBondContact O-N 3.14Å; T380-S383 PolarHBondContact O-OG 3.09Å; T380-S383 WeakPolarHBondContact OG1-CB 3.43Å; T380-S383 PolarHBondContact OG1-N 3.17Å; T380-S383 PolarHBondContact OG1-OG 2.99Å; V381-S383 PolarHBondContact O-N 2.97Å; S383-Q387 VanDerWaalsContact O-CB 3.31Å; S383-Q387 WeakPolarHBondContact O-CB 3.44Å; S383-Q387 PolarHBondContact O-N 3.38Å
384T89.4Confident86.8Confident24 Ų2458 Ų5815%0.14732%0.323CS..Hα-helixtrans-69.7-45.8-179.2-48.70000111.2L333 L370 T380 V381 Q387 A388L333-T384 HydrophobicContact CD1-CG2 3.99Å; L370-T384 HydrophobicContact CD1-CG2 4.18Å; L370-T384 HydrophobicContact CD2-CG2 3.84Å; T380-T384 WeakPolarHBondContact O-CB 3.36Å; T380-T384 PolarHBondContact O-N 2.82Å; T380-T384 PolarHBondContact O-OG1 2.86Å; V381-T384 PolarHBondContact O-N 3.28Å; V381-T384 VanDerWaalsContact O-N 3.17Å; T384-Q387 PolarHBondContact O-N 3.21Å; T384-A388 WeakPolarHBondContact O-CB 3.43Å; T384-A388 PolarHBondContact O-N 2.8Å
385V90.8Very high87.3Confident0 Ų057.4 Ų57.40%031%0.314CS..Hα-helixtrans-62.4-45.6173.5173.80000110.9M338 V341 L342 M345 V366 L370 V381 Q387 A388 L389M338-V385 HydrophobicContact CB-CG2 4.29Å; M338-V385 HydrophobicContact CG-CG2 3.99Å; M338-V385 HydrophobicContact SD-CG2 4Å; V341-V385 HydrophobicContact CG1-CB 3.88Å; V341-V385 HydrophobicContact CG1-CG1 3.81Å; V341-V385 HydrophobicContact CG1-CG2 4.32Å; L342-V385 HydrophobicContact CD2-CG1 3.62Å; L342-V385 HydrophobicContact CG-CG1 4.25Å; M345-V385 HydrophobicContact CG-CG1 4.3Å; V366-V385 HydrophobicContact CG1-CG1 4.22Å; L370-V385 HydrophobicContact CD1-CB 4.33Å; L370-V385 HydrophobicContact CD1-CG2 3.85Å; V381-V385 HydrophobicContact CG1-CG2 4.23Å; V381-V385 WeakPolarHBondContact O-CG2 3.23Å; V381-V385 PolarHBondContact O-N 2.92Å; V385-Q387 PolarHBondContact O-N 2.95Å; V385-A388 PolarHBondContact O-N 2.98Å; V385-L389 VanDerWaalsContact O-CB 3.29Å; V385-L389 WeakPolarHBondContact O-CB 3.24Å; V385-L389 PolarHBondContact O-N 2.81Å
386K91.3Very high87.6Confident74 Ų7456.4 Ų56.432%0.32231%0.31SS..Hα-helixtrans-61.4-43.1178.9-169.2176.1-176.9174.20112.1M345 T382 Q390 M636M345-K386 HydrophobicContact SD-CG 4.4Å; T382-K386 VanDerWaalsContact O-CB 3.24Å; T382-K386 WeakPolarHBondContact O-CB 3.16Å; T382-K386 PolarHBondContact O-N 3.4Å; K386-Q390 WeakPolarHBondContact O-CB 3.4Å; K386-Q390 PolarHBondContact O-N 2.58Å; K386-M636 HydrophobicContact CD-CE 4.42Å; K386-M636 VanDerWaalsContact CE-O 3.27Å; K386-M636 WeakPolarHBondContact CE-O 3.41Å; K386-M636 HydrophobicContact CG-CE 3.59Å; K386-M636 PolarHBondContact NZ-O 3.15Å
387Q91.3Very high88.2Confident116 Ų11654.8 Ų54.854%0.54229%0.291SS..Hα-helixtrans-64.5-51177.3179.8-178.7-20.500111.6S383 T384 V385 L389 Q390 E391S383-Q387 VanDerWaalsContact O-CB 3.31Å; S383-Q387 WeakPolarHBondContact O-CB 3.44Å; S383-Q387 PolarHBondContact O-N 3.38Å; T384-Q387 PolarHBondContact O-N 3.21Å; V385-Q387 PolarHBondContact O-N 2.95Å; Q387-L389 VanDerWaalsContact C-N 3.28Å; Q387-L389 PolarHBondContact O-N 3.23Å; Q387-Q390 WeakPolarHBondContact O-CB 3.4Å; Q387-Q390 PolarHBondContact O-N 2.93Å; Q387-Q390 VanDerWaalsContact O-N 3.12Å; Q387-E391 HydrophobicContact CG-CG 4.46Å; Q387-E391 WeakPolarHBondContact CG-OE1 3.39Å; Q387-E391 PolarHBondContact NE2-OE1 3.46Å; Q387-E391 WeakPolarHBondContact O-CG 3.18Å; Q387-E391 PolarHBondContact O-N 3.21Å
388A90.3Very high88.5Confident5 Ų554.6 Ų54.64%0.04128%0.282CS..Hα-helixtrans-62.3-36.2-178.600000112.5V366 L370 T384 V385 E391 S392V366-A388 HydrophobicContact CG1-CB 3.97Å; L370-A388 HydrophobicContact CD1-CB 3.85Å; L370-A388 HydrophobicContact CD2-CB 3.97Å; L370-A388 HydrophobicContact CG-CB 3.97Å; T384-A388 WeakPolarHBondContact O-CB 3.43Å; T384-A388 PolarHBondContact O-N 2.8Å; V385-A388 PolarHBondContact O-N 2.98Å; A388-E391 PolarHBondContact O-N 3.03Å; A388-S392 PolarHBondContact O-N 2.92Å; A388-S392 VanDerWaalsContact O-N 3.08Å; A388-S392 PolarHBondContact O-OG 3.14Å
389L92.4Very high88.2Confident1 Ų146 Ų461%0.00525%0.246CC..Hα-helixtrans-65.4-45.5172.4179.156.5000111.8M345 L349 L362 V366 V385 Q387 E391 S392 L393 M636M345-L389 HydrophobicContact CB-CD2 3.73Å; M345-L389 HydrophobicContact CG-CD2 4.04Å; M345-L389 HydrophobicContact SD-CD2 4.24Å; L349-L389 HydrophobicContact CD1-CD1 4.25Å; L349-L389 HydrophobicContact CD1-CD2 4.14Å; L362-L389 HydrophobicContact CB-CD1 4.18Å; V366-L389 HydrophobicContact CG1-CB 4.47Å; V366-L389 HydrophobicContact CG2-CB 3.95Å; V366-L389 HydrophobicContact CG2-CD1 3.97Å; V385-L389 VanDerWaalsContact O-CB 3.29Å; V385-L389 WeakPolarHBondContact O-CB 3.24Å; V385-L389 PolarHBondContact O-N 2.81Å; Q387-L389 VanDerWaalsContact C-N 3.28Å; Q387-L389 PolarHBondContact O-N 3.23Å; L389-E391 VanDerWaalsContact C-N 3.33Å; L389-E391 PolarHBondContact O-N 3.48Å; L389-S392 PolarHBondContact O-N 3.22Å; L389-L393 HydrophobicContact CD1-CD1 3.97Å; L389-L393 HydrophobicContact CD1-CG 4.06Å; L389-L393 HydrophobicContact CG-CD1 3.86Å; L389-L393 HydrophobicContact CG-CG 4.43Å; L389-L393 VanDerWaalsContact O-CB 3.3Å; L389-L393 WeakPolarHBondContact O-CB 3.43Å; L389-L393 WeakPolarHBondContact O-CD1 3.48Å; L389-L393 WeakPolarHBondContact O-CG 3.27Å; L389-L393 PolarHBondContact O-N 2.89Å; L389-M636 HydrophobicContact CB-CE 4.46Å; L389-M636 HydrophobicContact CD2-CE 3.93Å; L389-M636 HydrophobicContact CD2-SD 4.41Å; L389-M636 HydrophobicContact CG-CE 4.13Å; L389-M636 HydrophobicContact CG-SD 4.45Å
390Q92.2Very high87.5Confident79 Ų7950.7 Ų50.737%0.36926%0.262SS..Hα-helixtrans-59.8-40.4174.5171.6167.8-3.400112.4K386 Q387 V394 V632 M636K386-Q390 WeakPolarHBondContact O-CB 3.4Å; K386-Q390 PolarHBondContact O-N 2.58Å; Q387-Q390 WeakPolarHBondContact O-CB 3.4Å; Q387-Q390 PolarHBondContact O-N 2.93Å; Q387-Q390 VanDerWaalsContact O-N 3.12Å; Q390-V394 WeakPolarHBondContact O-CG2 3.44Å; Q390-V394 PolarHBondContact O-N 3.5Å; Q390-V394 VanDerWaalsContact O-N 3.09Å; Q390-V632 HydrophobicContact CB-CG1 4.31Å; Q390-V632 HydrophobicContact CG-CG1 3.87Å; Q390-M636 HydrophobicContact CB-CG 4.41Å
391E90.5Very high86.6Confident92 Ų9251.8 Ų51.843%0.4326%0.257SS..Hα-helixtrans-63-51.5176.4-73.3170.3-172.800112Q387 A388 L389 L393 V394 Q395Q387-E391 HydrophobicContact CG-CG 4.46Å; Q387-E391 WeakPolarHBondContact CG-OE1 3.39Å; Q387-E391 PolarHBondContact NE2-OE1 3.46Å; Q387-E391 WeakPolarHBondContact O-CG 3.18Å; Q387-E391 PolarHBondContact O-N 3.21Å; A388-E391 PolarHBondContact O-N 3.03Å; L389-E391 VanDerWaalsContact C-N 3.33Å; L389-E391 PolarHBondContact O-N 3.48Å; E391-L393 PolarHBondContact O-N 2.94Å; E391-V394 PolarHBondContact O-N 3.07Å; E391-Q395 PolarHBondContact O-N 3.21Å
392S90.2Very high85.9Confident7 Ų761.4 Ų61.45%0.04929%0.29CS..Hα-helixtrans-66.4-35.7179-650000112.2E40 K369 A388 L389 V394 Q395 I396E40-S392 PolarHBondContact OE2-OG 3.36Å; K369-S392 PolarHBondContact NZ-OG 3.48Å; A388-S392 PolarHBondContact O-N 2.92Å; A388-S392 VanDerWaalsContact O-N 3.08Å; A388-S392 PolarHBondContact O-OG 3.14Å; L389-S392 PolarHBondContact O-N 3.22Å; S392-V394 PolarHBondContact O-N 2.61Å; S392-Q395 WeakPolarHBondContact O-CB 3.43Å; S392-Q395 PolarHBondContact O-N 3.09Å; S392-I396 VanDerWaalsContact O-CD1 3.3Å; S392-I396 WeakPolarHBondContact O-CD1 3.14Å; S392-I396 VanDerWaalsContact O-CG1 3.3Å; S392-I396 WeakPolarHBondContact O-CG1 3.48Å; S392-I396 PolarHBondContact O-N 2.98Å
393L91.9Very high85.6Confident0 Ų059.1 Ų59.10%028%0.276CS..Hα-helixtrans-60.4-41.2172.6-76.5166.8000112.5L349 L362 L389 E391 I396 L397 I601 V632 L635 M636L349-L393 HydrophobicContact CD2-CD1 4.21Å; L362-L393 HydrophobicContact CD1-CD2 3.92Å; L389-L393 HydrophobicContact CD1-CD1 3.97Å; L389-L393 HydrophobicContact CD1-CG 4.06Å; L389-L393 HydrophobicContact CG-CD1 3.86Å; L389-L393 HydrophobicContact CG-CG 4.43Å; L389-L393 VanDerWaalsContact O-CB 3.3Å; L389-L393 WeakPolarHBondContact O-CB 3.43Å; L389-L393 WeakPolarHBondContact O-CD1 3.48Å; L389-L393 WeakPolarHBondContact O-CG 3.27Å; L389-L393 PolarHBondContact O-N 2.89Å; E391-L393 PolarHBondContact O-N 2.94Å; L393-I396 PolarHBondContact O-N 3.4Å; L393-L397 PolarHBondContact O-N 3.14Å; L393-L397 VanDerWaalsContact O-N 3.15Å; L393-I601 HydrophobicContact CD2-CD1 3.87Å; L393-I601 HydrophobicContact CD2-CG1 4.06Å; L393-I601 HydrophobicContact CD2-CG2 3.67Å; L393-V632 HydrophobicContact CB-CB 4.5Å; L393-V632 HydrophobicContact CB-CG1 3.77Å; L393-V632 HydrophobicContact CB-CG2 3.79Å; L393-V632 HydrophobicContact CD1-CG1 4.08Å; L393-L635 HydrophobicContact CD1-CD2 4.13Å; L393-L635 HydrophobicContact CD2-CD2 4.18Å; L393-M636 HydrophobicContact CD1-CG 4.29Å; L393-M636 HydrophobicContact CD1-SD 3.64Å
394V91.4Very high85.5Confident25 Ų2560.4 Ų60.415%0.15228%0.279CS..Hα-helixtrans-66.8-40.7175.1170.90000111Q390 E391 S392 I396 L397 Q398 V632Q390-V394 WeakPolarHBondContact O-CG2 3.44Å; Q390-V394 PolarHBondContact O-N 3.5Å; Q390-V394 VanDerWaalsContact O-N 3.09Å; E391-V394 PolarHBondContact O-N 3.07Å; S392-V394 PolarHBondContact O-N 2.61Å; V394-I396 VanDerWaalsContact C-N 3.28Å; V394-I396 PolarHBondContact O-N 2.85Å; V394-L397 PolarHBondContact O-N 2.98Å; V394-Q398 HydrophobicContact CG1-CG 4.46Å; V394-Q398 WeakPolarHBondContact O-CB 3.47Å; V394-Q398 WeakPolarHBondContact O-CG 3.41Å; V394-Q398 PolarHBondContact O-N 3.37Å; V394-Q398 VanDerWaalsContact O-N 3.08Å; V394-V632 HydrophobicContact CG2-CB 3.91Å; V394-V632 HydrophobicContact CG2-CG1 4.15Å; V394-V632 HydrophobicContact CG2-CG2 3.84Å
395Q87.6Confident85.7Confident73 Ų7359.5 Ų59.534%0.34127%0.273SS..Hα-helixtrans-60.2-37.2175.2-178.4173.4-12.900112.2L38 E40 E391 S392 Q398L38-Q395 PolarHBondContact O-NE2 2.97Å; E40-Q395 PolarHBondContact OE2-OE1 2.89Å; E391-Q395 PolarHBondContact O-N 3.21Å; S392-Q395 WeakPolarHBondContact O-CB 3.43Å; S392-Q395 PolarHBondContact O-N 3.09Å; Q395-Q398 CarbonylContact O-C 3.58Å; Q395-Q398 PolarHBondContact O-N 3.39Å
396I87.7Confident85.8Confident28 Ų2861.6 Ų61.614%0.14428%0.284CS..Hα-helixtrans-68.7-41.4177.4-72.5156.3000112.4L362 S392 L393 V394 Q398 I601 T604 Y605L362-I396 HydrophobicContact CD2-CD1 3.26Å; S392-I396 VanDerWaalsContact O-CD1 3.3Å; S392-I396 WeakPolarHBondContact O-CD1 3.14Å; S392-I396 VanDerWaalsContact O-CG1 3.3Å; S392-I396 WeakPolarHBondContact O-CG1 3.48Å; S392-I396 PolarHBondContact O-N 2.98Å; L393-I396 PolarHBondContact O-N 3.4Å; V394-I396 VanDerWaalsContact C-N 3.28Å; V394-I396 PolarHBondContact O-N 2.85Å; I396-Q398 PolarHBondContact O-N 2.86Å; I396-I601 HydrophobicContact CG2-CG2 4.4Å; I396-T604 WeakPolarHBondContact CG2-OG1 3.29Å; I396-Y605 HydrophobicContact CD1-CD2 3.73Å; I396-Y605 HydrophobicContact CD1-CE2 4.26Å; I396-Y605 HydrophobicContact CG1-CD2 4.11Å; I396-Y605 HydrophobicContact CG2-CD2 4.38Å
397L87.3Confident85.9Confident8 Ų865.3 Ų65.34%0.04230%0.296CS..Hα-helixtrans-73.8-9.8174.4-73.6-174.1000113.7L393 V394 P399 A600 I601 T604 L626 A628 V631 V632L393-L397 PolarHBondContact O-N 3.14Å; L393-L397 VanDerWaalsContact O-N 3.15Å; V394-L397 PolarHBondContact O-N 2.98Å; L397-P399 WeakPolarHBondContact O-CD 3.43Å; L397-A600 HydrophobicContact CD2-CB 4.2Å; L397-I601 HydrophobicContact CD1-CD1 3.77Å; L397-I601 HydrophobicContact CD2-CD1 3.88Å; L397-I601 HydrophobicContact CG-CD1 3.66Å; L397-T604 HydrophobicContact CD2-CG2 3.94Å; L397-L626 HydrophobicContact CB-CD2 4.33Å; L397-L626 HydrophobicContact CD1-CD2 4.38Å; L397-L626 HydrophobicContact CD2-CD2 4.08Å; L397-A628 HydrophobicContact CB-CB 3.61Å; L397-A628 HydrophobicContact CD1-CB 4.16Å; L397-V631 HydrophobicContact CD1-CB 3.9Å; L397-V631 HydrophobicContact CD1-CG1 3.65Å; L397-V632 HydrophobicContact CD1-CG2 3.8Å
398Q83.3Confident86.1Confident118 Ų11862.4 Ų62.455%0.55128%0.284SS*.SBendtrans-114.460.9177.4-64.5-170.2-18.100111.8V394 Q395 I396 A628V394-Q398 HydrophobicContact CG1-CG 4.46Å; V394-Q398 WeakPolarHBondContact O-CB 3.47Å; V394-Q398 WeakPolarHBondContact O-CG 3.41Å; V394-Q398 PolarHBondContact O-N 3.37Å; V394-Q398 VanDerWaalsContact O-N 3.08Å; Q395-Q398 CarbonylContact O-C 3.58Å; Q395-Q398 PolarHBondContact O-N 3.39Å; I396-Q398 PolarHBondContact O-N 2.86Å; Q398-A628 HydrophobicContact CG-CB 3.74Å
399P72.2Confident86.3Confident20 Ų2062.2 Ų62.213%0.1328%0.282CS..  trans-63.5150.9-177.227.7-34.5000112.3L397 R401 P610L397-P399 WeakPolarHBondContact O-CD 3.43Å; P399-R401 PolarHBondContact O-N 2.85Å; P399-P610 HydrophobicContact CG-CB 3.98Å
400Q66.1Low86.4Confident148 Ų14866.8 Ų66.869%0.69231%0.305SS*.SBendtrans-62.4-19.5-166.6-157.4172.434.600114.9
401R67.4Low86.5Confident104 Ų10465 Ų6539%0.39230%0.298SS..  trans-92.2105.5171.3-178176.4178.4-172-5.5110.2P399 V403 D583 P610P399-R401 PolarHBondContact O-N 2.85Å; R401-V403 HydrophobicContact CG-CG2 4.49Å; R401-D583 IonicContact CZ-OD1 2.7Å; R401-D583 VanDerWaalsContact CZ-OD1 3.29Å; R401-D583 IonicContact NH1-OD1 2.72Å; R401-D583 PolarHBondContact NH1-OD1 2.79Å; R401-D583 IonicContact NH2-OD1 2.67Å; R401-D583 PolarHBondContact NH2-OD1 3.08Å; R401-P610 WeakPolarHBondContact O-CG 3.49Å
402R73Confident86.7Confident236 Ų23660.9 Ų60.989%0.89128%0.279SS*.  trans-70141.5160.2-61.2-173.5-178.9-154.8-1.2109.3
403V81.6Confident86.8Confident30 Ų3064 Ų6418%0.18229%0.293CS..  trans-114.9118.2169.91700000106.4R401 L546 P610 V612R401-V403 HydrophobicContact CG-CG2 4.49Å; V403-L546 HydrophobicContact CG1-CD1 3.96Å; V403-L546 HydrophobicContact CG1-CD2 4.15Å; V403-L546 HydrophobicContact CG2-CD1 4.37Å; V403-P610 HydrophobicContact CB-CG 4.29Å; V403-P610 HydrophobicContact CG2-CG 3.74Å; V403-V612 HydrophobicContact CB-CG2 4.18Å; V403-V612 HydrophobicContact CG1-CG1 4.19Å; V403-V612 HydrophobicContact CG1-CG2 4.14Å
404D88Confident86.9Confident80 Ų8071.7 Ų71.743%0.42832%0.322SS..  trans-118.587179.7-179.8-11.8000107.3L406 R407 D408D404-L406 VanDerWaalsContact C-N 3.3Å; D404-L406 PolarHBondContact O-N 3.38Å; D404-R407 HydrophobicContact CB-CB 4.04Å; D404-R407 PolarHBondContact O-N 3.39Å; D404-R407 WeakPolarHBondContact OD1-CB 3.45Å; D404-R407 PolarHBondContact OD1-N 3.31Å; D404-R407 VanDerWaalsContact OD1-N 3.14Å; D404-R407 VanDerWaalsContact OD2-CB 3.31Å; D404-R407 WeakPolarHBondContact OD2-CB 3.24Å; D404-D408 WeakPolarHBondContact O-CB 3.46Å; D404-D408 PolarHBondContact O-N 3.29Å
405M92.6Very high87Confident6 Ų677.8 Ų77.83%0.0334%0.343CS..Hα-helixtrans-61.7-38.5-171-177.6176.2-72.200111.9D408 I409 Y419 V421 I438 W441 L442 L546 L548 F613M405-D408 PolarHBondContact O-N 3.01Å; M405-I409 HydrophobicContact CG-CD1 3.82Å; M405-I409 HydrophobicContact CG-CG1 4.42Å; M405-I409 VanDerWaalsContact O-CD1 3.29Å; M405-I409 WeakPolarHBondContact O-CD1 3.3Å; M405-I409 WeakPolarHBondContact O-CG1 3.35Å; M405-I409 PolarHBondContact O-N 3.09Å; M405-Y419 HydrophobicContact CG-CE1 4.01Å; M405-V421 HydrophobicContact CE-CG1 4.39Å; M405-V421 HydrophobicContact CE-CG2 4.16Å; M405-I438 HydrophobicContact SD-CG2 4.34Å; M405-W441 HydrophobicContact CB-CH2 4.28Å; M405-W441 HydrophobicContact CB-CZ3 4.36Å; M405-W441 HydrophobicContact CG-CZ3 4.32Å; M405-W441 HydrophobicContact SD-CZ3 3.82Å; M405-L442 HydrophobicContact SD-CD2 4.4Å; M405-L546 HydrophobicContact CE-CD2 3.45Å; M405-L546 VanDerWaalsContact CE-CD2 3.45Å; M405-L548 HydrophobicContact CE-CD1 4.14Å; M405-F613 HydrophobicContact CE-CE2 3.93Å; M405-F613 HydrophobicContact CE-CZ 4.33Å; M405-F613 HydrophobicContact SD-CE2 4.31Å; M405-F613 HydrophobicContact SD-CZ 4.22Å
406L93.4Very high87.3Confident43 Ų4382 Ų8223%0.22536%0.362CS..Hα-helixtrans-65.4-46.6-179.8-58.5-177.7000110.8D404 I409 M410 W441 L442 N445 F447D404-L406 VanDerWaalsContact C-N 3.3Å; D404-L406 PolarHBondContact O-N 3.38Å; L406-I409 PolarHBondContact O-N 2.96Å; L406-M410 WeakPolarHBondContact O-CG 3.42Å; L406-M410 PolarHBondContact O-N 2.92Å; L406-M410 VanDerWaalsContact O-N 3.09Å; L406-W441 HydrophobicContact CD1-CH2 4.25Å; L406-W441 HydrophobicContact CD1-CZ2 3.87Å; L406-W441 HydrophobicContact CD2-CH2 3.36Å; L406-W441 HydrophobicContact CD2-CZ2 3.66Å; L406-W441 HydrophobicContact CD2-CZ3 3.91Å; L406-W441 HydrophobicContact CG-CH2 3.58Å; L406-W441 HydrophobicContact CG-CZ2 3.74Å; L406-L442 HydrophobicContact CD2-CD2 4.19Å; L406-N445 WeakPolarHBondContact CD1-OD1 3.46Å; L406-N445 HydrophobicContact CD2-CB 4Å; L406-F447 HydrophobicContact CD2-CD2 4.26Å; L406-F447 HydrophobicContact CD2-CE2 3.88Å
407R93.3Very high87.7Confident152 Ų15286.3 Ų86.357%0.57438%0.377SS*.Hα-helixtrans-61.7-46.3175.2178.4-176.4171.2164.60.4112.1D404 I409 M410 D411D404-R407 HydrophobicContact CB-CB 4.04Å; D404-R407 PolarHBondContact O-N 3.39Å; D404-R407 WeakPolarHBondContact OD1-CB 3.45Å; D404-R407 PolarHBondContact OD1-N 3.31Å; D404-R407 VanDerWaalsContact OD1-N 3.14Å; D404-R407 VanDerWaalsContact OD2-CB 3.31Å; D404-R407 WeakPolarHBondContact OD2-CB 3.24Å; R407-I409 VanDerWaalsContact C-N 3.28Å; R407-I409 PolarHBondContact O-N 3.36Å; R407-M410 CarbonylContact O-C 3.35Å; R407-M410 WeakPolarHBondContact O-CB 3.19Å; R407-M410 PolarHBondContact O-N 3.03Å; R407-M410 VanDerWaalsContact O-N 3.07Å; R407-D411 PolarHBondContact O-N 3.42Å
408D94.8Very high88.2Confident56 Ų5686.2 Ų86.230%0.29938%0.376SS..Hα-helixtrans-62.1-36.9-178.9-77.2-7000111.5D404 M405 D411 A412 Y419D404-D408 WeakPolarHBondContact O-CB 3.46Å; D404-D408 PolarHBondContact O-N 3.29Å; M405-D408 PolarHBondContact O-N 3.01Å; D408-D411 PolarHBondContact O-N 3.39Å; D408-A412 PolarHBondContact O-N 2.93Å; D408-Y419 HydrophobicContact CB-CD2 4.37Å; D408-Y419 HydrophobicContact CB-CE2 3.5Å; D408-Y419 VanDerWaalsContact CB-CE2 3.5Å; D408-Y419 WeakPolarHBondContact CB-OH 3.32Å; D408-Y419 PolarHBondContact OD2-OH 2.83Å
409I96.3Very high88.9Confident0 Ų080.8 Ų80.80%035%0.351CS..Hα-helixtrans-62.7-45.2171.2-65.5158.7000110.7M405 L406 R407 D411 A412 Q413 Y419 L442 F447 D515 V516M405-I409 HydrophobicContact CG-CD1 3.82Å; M405-I409 HydrophobicContact CG-CG1 4.42Å; M405-I409 VanDerWaalsContact O-CD1 3.29Å; M405-I409 WeakPolarHBondContact O-CD1 3.3Å; M405-I409 WeakPolarHBondContact O-CG1 3.35Å; M405-I409 PolarHBondContact O-N 3.09Å; L406-I409 PolarHBondContact O-N 2.96Å; R407-I409 VanDerWaalsContact C-N 3.28Å; R407-I409 PolarHBondContact O-N 3.36Å; I409-D411 VanDerWaalsContact C-N 3.27Å; I409-D411 PolarHBondContact O-N 3.48Å; I409-A412 CarbonylContact O-C 3.52Å; I409-A412 WeakPolarHBondContact O-CA 3.43Å; I409-A412 WeakPolarHBondContact O-CB 3.3Å; I409-A412 PolarHBondContact O-N 3.43Å; I409-Q413 HydrophobicContact CG2-CG 4.36Å; I409-Q413 WeakPolarHBondContact O-CG 3.28Å; I409-Q413 PolarHBondContact O-N 3.26Å; I409-Y419 HydrophobicContact CB-CG 4.45Å; I409-Y419 HydrophobicContact CD1-CD1 4.28Å; I409-Y419 HydrophobicContact CG1-CD1 3.47Å; I409-Y419 VanDerWaalsContact CG1-CD1 3.47Å; I409-Y419 HydrophobicContact CG1-CD2 4.37Å; I409-Y419 HydrophobicContact CG1-CE1 4.1Å; I409-Y419 HydrophobicContact CG1-CG 3.61Å; I409-L442 HydrophobicContact CD1-CD2 3.46Å; I409-L442 VanDerWaalsContact CD1-CD2 3.46Å; I409-F447 HydrophobicContact CB-CE1 4.24Å; I409-F447 HydrophobicContact CG2-CD1 3.49Å; I409-F447 VanDerWaalsContact CG2-CD1 3.49Å; I409-F447 HydrophobicContact CG2-CE1 3.47Å; I409-F447 VanDerWaalsContact CG2-CE1 3.47Å; I409-F447 HydrophobicContact CG2-CG 4.28Å; I409-F447 HydrophobicContact CG2-CZ 4.26Å; I409-D515 HydrophobicContact CG2-CB 4.49Å; I409-V516 HydrophobicContact CD1-CG2 3.66Å; I409-V516 HydrophobicContact CG1-CG2 3.97Å; I409-V516 HydrophobicContact CG2-CG2 3.99Å
410M93.9Very high90.1Very high98 Ų9880.1 Ų80.148%0.48335%0.347SS..Hα-helixtrans-64.2-30.1176.3-65177.381.700112.9L406 R407 R414 F447L406-M410 WeakPolarHBondContact O-CG 3.42Å; L406-M410 PolarHBondContact O-N 2.92Å; L406-M410 VanDerWaalsContact O-N 3.09Å; R407-M410 CarbonylContact O-C 3.35Å; R407-M410 WeakPolarHBondContact O-CB 3.19Å; R407-M410 PolarHBondContact O-N 3.03Å; R407-M410 VanDerWaalsContact O-N 3.07Å; M410-R414 WeakPolarHBondContact O-CG 3.2Å; M410-R414 PolarHBondContact O-N 3.1Å; M410-R414 PolarHBondContact O-NE 3.44Å; M410-R414 PolarHBondContact O-NH2 2.9Å; M410-F447 HydrophobicContact CG-CE1 4.29Å; M410-F447 HydrophobicContact CG-CZ 4Å
411D94.3Very high91.7Very high42 Ų4273.1 Ų73.123%0.22531%0.314CS..Hα-helixtrans-73-29.3171.3-93.2-70.7000112.3R407 D408 I409 R414 R415R407-D411 PolarHBondContact O-N 3.42Å; D408-D411 PolarHBondContact O-N 3.39Å; I409-D411 VanDerWaalsContact C-N 3.27Å; I409-D411 PolarHBondContact O-N 3.48Å; D411-R414 IonicContact OD1-CZ 2.65Å; D411-R414 VanDerWaalsContact OD1-CZ 3.28Å; D411-R414 IonicContact OD1-NH1 2.65Å; D411-R414 PolarHBondContact OD1-NH1 2.87Å; D411-R414 IonicContact OD1-NH2 2.74Å; D411-R414 PolarHBondContact OD1-NH2 3.04Å; D411-R414 IonicContact OD2-CZ 2.64Å; D411-R414 IonicContact OD2-NH1 2.79Å; D411-R414 IonicContact OD2-NH2 2.72Å; D411-R414 PolarHBondContact OD2-NH2 2.96Å; D411-R415 WeakPolarHBondContact O-CD 3.48Å; D411-R415 WeakPolarHBondContact O-CG 3.31Å
412A94.9Very high93.2Very high5 Ų568.2 Ų68.24%0.04130%0.296CS..Hα-helixtrans-76.6-43.7173.100000113D408 I409 R414 R415 Q416 R417 Y419D408-A412 PolarHBondContact O-N 2.93Å; I409-A412 CarbonylContact O-C 3.52Å; I409-A412 WeakPolarHBondContact O-CA 3.43Å; I409-A412 WeakPolarHBondContact O-CB 3.3Å; I409-A412 PolarHBondContact O-N 3.43Å; A412-R414 VanDerWaalsContact C-N 3.3Å; A412-R414 PolarHBondContact O-N 3.4Å; A412-R415 CarbonylContact O-C 3.55Å; A412-R415 WeakPolarHBondContact O-CA 3.33Å; A412-R415 WeakPolarHBondContact O-CB 3.38Å; A412-R415 PolarHBondContact O-N 2.97Å; A412-Q416 PolarHBondContact O-N 2.96Å; A412-R417 CarbonylContact C-O 3.49Å; A412-R417 HydrophobicContact CB-CG 4.08Å; A412-Y419 HydrophobicContact CB-CD2 4.05Å
413Q92.2Very high94.4Very high72 Ų7257 Ų5734%0.33625%0.253SS..Hα-helixtrans-55.2-44.7173.2-75.2176-41.700111.4I409 R415 Q416 D515I409-Q413 HydrophobicContact CG2-CG 4.36Å; I409-Q413 WeakPolarHBondContact O-CG 3.28Å; I409-Q413 PolarHBondContact O-N 3.26Å; Q413-R415 PolarHBondContact O-N 3.22Å; Q413-Q416 PolarHBondContact O-N 3.15Å; Q413-D515 PolarHBondContact NE2-OD1 3.08Å
414R93.8Very high95.1Very high162 Ų16255.6 Ų55.661%0.61125%0.245SC*.THydrogen-bonded Turntrans-60.4-12.6173.7-82.1178.6-81.9130.9-3.8114.2M410 D411 A412M410-R414 WeakPolarHBondContact O-CG 3.2Å; M410-R414 PolarHBondContact O-N 3.1Å; M410-R414 PolarHBondContact O-NE 3.44Å; M410-R414 PolarHBondContact O-NH2 2.9Å; D411-R414 IonicContact OD1-CZ 2.65Å; D411-R414 VanDerWaalsContact OD1-CZ 3.28Å; D411-R414 IonicContact OD1-NH1 2.65Å; D411-R414 PolarHBondContact OD1-NH1 2.87Å; D411-R414 IonicContact OD1-NH2 2.74Å; D411-R414 PolarHBondContact OD1-NH2 3.04Å; D411-R414 IonicContact OD2-CZ 2.64Å; D411-R414 IonicContact OD2-NH1 2.79Å; D411-R414 IonicContact OD2-NH2 2.72Å; D411-R414 PolarHBondContact OD2-NH2 2.96Å; A412-R414 VanDerWaalsContact C-N 3.3Å; A412-R414 PolarHBondContact O-N 3.4Å
415R94.4Very high95.4Very high153 Ų15351.8 Ų51.858%0.57723%0.225SC*.THydrogen-bonded Turntrans-109.112.6175.4-62.2169.6179.1176.51.1113.3D411 A412 Q413 R417D411-R415 WeakPolarHBondContact O-CD 3.48Å; D411-R415 WeakPolarHBondContact O-CG 3.31Å; A412-R415 CarbonylContact O-C 3.55Å; A412-R415 WeakPolarHBondContact O-CA 3.33Å; A412-R415 WeakPolarHBondContact O-CB 3.38Å; A412-R415 PolarHBondContact O-N 2.97Å; Q413-R415 PolarHBondContact O-N 3.22Å; R415-R417 VanDerWaalsContact C-N 3.32Å; R415-R417 HydrophobicContact CB-CG 4.42Å; R415-R417 PolarHBondContact O-N 2.97Å
416Q92.9Very high95.5Very high162 Ų16251.9 Ų51.976%0.75723%0.226SC*.THydrogen-bonded Turntrans49.648.7178.6-63.7-178.1-19.300113.4A412 Q413 R510A412-Q416 PolarHBondContact O-N 2.96Å; Q413-Q416 PolarHBondContact O-N 3.15Å; Q416-R510 PolarHBondContact O-NE 2.81Å
417R95.8Very high95.4Very high117 Ų11754 Ų5444%0.44224%0.237SC..SBendtrans-138.1151.8172.969.5-179.571.3172.5-2.2110A412 R415A412-R417 CarbonylContact C-O 3.49Å; A412-R417 HydrophobicContact CB-CG 4.08Å; R415-R417 VanDerWaalsContact C-N 3.32Å; R415-R417 HydrophobicContact CB-CG 4.42Å; R415-R417 PolarHBondContact O-N 2.97Å
418P97.8Very high95.3Very high6 Ų649.6 Ų49.64%0.03924%0.239CC..  trans-65.2151.4162.129.9-35.1000110.6I506 A509 R510 D515 V517P418-I506 HydrophobicContact CG-CG2 4.3Å; P418-A509 HydrophobicContact CB-CB 4.11Å; P418-A509 HydrophobicContact CG-CB 4.06Å; P418-R510 HydrophobicContact CG-CB 4.46Å; P418-D515 CarbonylContact C-O 3.58Å; P418-D515 VanDerWaalsContact CA-O 3.31Å; P418-D515 WeakPolarHBondContact CA-O 3.47Å; P418-V517 HydrophobicContact CB-CG2 3.9Å; P418-V517 HydrophobicContact CG-CG2 4.23Å
419Y98.4Very high95.2Very high4 Ų447 Ų472%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-84.9126.2166.9-174-105.2000109.9M405 D408 I409 A412 V421 D515 V516 V517 D545 L546M405-Y419 HydrophobicContact CG-CE1 4.01Å; D408-Y419 HydrophobicContact CB-CD2 4.37Å; D408-Y419 HydrophobicContact CB-CE2 3.5Å; D408-Y419 VanDerWaalsContact CB-CE2 3.5Å; D408-Y419 WeakPolarHBondContact CB-OH 3.32Å; D408-Y419 PolarHBondContact OD2-OH 2.83Å; I409-Y419 HydrophobicContact CB-CG 4.45Å; I409-Y419 HydrophobicContact CD1-CD1 4.28Å; I409-Y419 HydrophobicContact CG1-CD1 3.47Å; I409-Y419 VanDerWaalsContact CG1-CD1 3.47Å; I409-Y419 HydrophobicContact CG1-CD2 4.37Å; I409-Y419 HydrophobicContact CG1-CE1 4.1Å; I409-Y419 HydrophobicContact CG1-CG 3.61Å; A412-Y419 HydrophobicContact CB-CD2 4.05Å; Y419-V421 HydrophobicContact CD1-CG2 3.68Å; Y419-V421 HydrophobicContact CE1-CG2 3.56Å; Y419-D515 PolarHBondContact N-O 3.08Å; Y419-V516 CarbonylContact O-C 3.44Å; Y419-V516 WeakPolarHBondContact O-CA 3.39Å; Y419-V516 WeakPolarHBondContact O-CG1 3.38Å; Y419-V517 PolarHBondContact O-N 3.2Å; Y419-D545 HydrophobicContact CD2-CB 3.53Å; Y419-D545 HydrophobicContact CE2-CB 3.35Å; Y419-D545 HydrophobicContact CG-CB 4.29Å; Y419-L546 HydrophobicContact CE1-CB 4.35Å
420V98.5Very high95.2Very high7 Ų748 Ų484%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-108.1118.8-171.3-173.40000111.4I506 V517 V519 P544 D545 L546V420-I506 HydrophobicContact CG1-CD1 3.79Å; V420-I506 HydrophobicContact CG1-CG1 4.08Å; V420-I506 HydrophobicContact CG2-CD1 4.07Å; V420-I506 HydrophobicContact CG2-CG1 3.88Å; V420-I506 HydrophobicContact CG2-CG2 4.16Å; V420-V517 HydrophobicContact CG2-CB 4.4Å; V420-V519 HydrophobicContact CG1-CG2 4.25Å; V420-P544 HydrophobicContact CB-CB 4.25Å; V420-P544 HydrophobicContact CG1-CB 3.87Å; V420-P544 CarbonylContact O-C 3.52Å; V420-D545 PolarHBondContact N-OD2 2.61Å; V420-D545 PolarHBondContact O-N 3.35Å; V420-L546 PolarHBondContact O-N 3.02Å; V420-L546 VanDerWaalsContact O-N 3.11Å
421V98.6Very high95.3Very high0 Ų044.1 Ų44.10%022%0.216CC..EExtended strand (participates in β ladder)trans-114124.3177.6-171.30000110.3M405 Y419 F423 V517 L518 V519 L546 L548M405-V421 HydrophobicContact CE-CG1 4.39Å; M405-V421 HydrophobicContact CE-CG2 4.16Å; Y419-V421 HydrophobicContact CD1-CG2 3.68Å; Y419-V421 HydrophobicContact CE1-CG2 3.56Å; V421-F423 HydrophobicContact CB-CE2 4.21Å; V421-F423 HydrophobicContact CG1-CD2 4.34Å; V421-F423 HydrophobicContact CG1-CE2 3.71Å; V421-F423 HydrophobicContact CG1-CZ 3.92Å; V421-V517 PolarHBondContact N-O 2.97Å; V421-L518 HydrophobicContact CB-CD2 3.73Å; V421-L518 HydrophobicContact CG1-CD2 4.49Å; V421-L518 HydrophobicContact CG2-CD2 3.88Å; V421-V519 PolarHBondContact O-N 3.03Å; V421-L546 WeakPolarHBondContact CA-O 3.31Å; V421-L546 HydrophobicContact CG1-CB 4.39Å; V421-L546 HydrophobicContact CG1-CD2 4.33Å; V421-L546 HydrophobicContact CG2-CB 4.4Å; V421-L548 HydrophobicContact CG1-CD1 3.67Å; V421-L548 HydrophobicContact CG1-CG 4Å
422T98.6Very high95.4Very high2 Ų242.3 Ų42.31%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-107.8124178.1-65.10000111.3T521 L538 I539 P544 L546 L548T422-T521 HydrophobicContact CG2-CG2 3.89Å; T422-L538 HydrophobicContact CG2-CD2 3.88Å; T422-I539 HydrophobicContact CG2-CD1 4.18Å; T422-I539 HydrophobicContact CG2-CG1 3.96Å; T422-P544 WeakPolarHBondContact OG1-CB 3.45Å; T422-L546 PolarHBondContact N-O 3.28Å; T422-L548 PolarHBondContact O-N 3.35Å
423F98.3Very high95.6Very high0 Ų043.1 Ų43.10%021%0.212CC..EExtended strand (participates in β ladder)trans-97118.5178-66.7-94.2000110.8V421 L435 I438 L518 V519 T521 L548 V550V421-F423 HydrophobicContact CB-CE2 4.21Å; V421-F423 HydrophobicContact CG1-CD2 4.34Å; V421-F423 HydrophobicContact CG1-CE2 3.71Å; V421-F423 HydrophobicContact CG1-CZ 3.92Å; F423-L435 HydrophobicContact CD2-CB 4.31Å; F423-L435 HydrophobicContact CD2-CD1 3.56Å; F423-L435 HydrophobicContact CD2-CG 3.92Å; F423-L435 HydrophobicContact CE2-CB 4.27Å; F423-L435 HydrophobicContact CE2-CD1 3.94Å; F423-L435 HydrophobicContact CE2-CG 3.8Å; F423-L435 HydrophobicContact CG-CB 4.47Å; F423-L435 HydrophobicContact CG-CD1 4.16Å; F423-L435 HydrophobicContact CZ-CB 4.38Å; F423-L435 HydrophobicContact CZ-CG 4.31Å; F423-I438 HydrophobicContact CE1-CD1 3.55Å; F423-I438 HydrophobicContact CZ-CD1 3.72Å; F423-I438 HydrophobicContact CZ-CG2 4.43Å; F423-L518 HydrophobicContact CE2-CB 4.06Å; F423-L518 HydrophobicContact CE2-CD2 4.04Å; F423-L518 HydrophobicContact CE2-CG 4.43Å; F423-V519 PolarHBondContact N-O 3.45Å; F423-T521 WeakPolarHBondContact O-CB 3.33Å; F423-T521 WeakPolarHBondContact O-CG2 3.38Å; F423-T521 PolarHBondContact O-N 3.35Å; F423-T521 PolarHBondContact O-OG1 3.02Å; F423-L548 HydrophobicContact CD1-CB 4.23Å; F423-L548 HydrophobicContact CD1-CD1 4.37Å; F423-L548 HydrophobicContact CE1-CB 4.35Å; F423-L548 HydrophobicContact CE1-CD1 3.67Å; F423-L548 HydrophobicContact CZ-CD1 3.95Å; F423-V550 HydrophobicContact CB-CG2 4.42Å; F423-V550 HydrophobicContact CD1-CG2 3.88Å
424C96.2Very high95.8Very high0 Ų040 Ų400%020%0.197CC..EExtended strand (participates in β ladder)trans-128164.3178.473.10000111.6L535 L548 F549 V550 F566C424-L535 HydrophobicContact CB-CD1 3.96Å; C424-L535 HydrophobicContact CB-CD2 3.83Å; C424-L548 PolarHBondContact N-O 2.9Å; C424-F549 CarbonylContact O-C 3.55Å; C424-F549 WeakPolarHBondContact O-CA 3.48Å; C424-V550 PolarHBondContact O-N 2.83Å; C424-F566 HydrophobicContact CB-CE1 4.25Å
425G95.1Very high96.1Very high1 Ų132.3 Ų32.31%0.0117%0.168CC..  trans143.1172.2-177.900000112.6K431G425-K431 PolarHBondContact O-NZ 3.05Å
426V93.7Very high96.2Very high8 Ų825 Ų255%0.04814%0.141CC..  trans-70.4-176.4-172.8-560000113.6V429 K431 R524 M525 Q562 F566V426-V429 HydrophobicContact CG2-CG1 3.56Å; V426-V429 WeakPolarHBondContact O-CG2 3.27Å; V426-K431 PolarHBondContact O-NZ 3.13Å; V426-R524 WeakPolarHBondContact CA-O 3.28Å; V426-M525 HydrophobicContact CB-SD 4.26Å; V426-Q562 HydrophobicContact CG1-CG 3.85Å; V426-F566 HydrophobicContact CG1-CE2 4.02Å; V426-F566 HydrophobicContact CG1-CZ 4.39Å
427N91.6Very high96.5Very high86 Ų8617.3 Ų17.346%0.4611%0.105SC..SBendtrans-72.5149.6-180-70.3-26000111.5V429 G523 M525N427-V429 VanDerWaalsContact C-N 3.25Å; N427-V429 PolarHBondContact O-N 2.82Å; N427-V429 VanDerWaalsContact O-N 3.1Å; N427-G523 WeakPolarHBondContact OD1-CA 2.94Å; N427-G523 PolarHBondContact OD1-O 2.99Å; N427-M525 HydrophobicContact CB-CE 4.41Å
428G91.3Very high96.6Very high60 Ų6011.7 Ų11.762%0.6198%0.084SC*.SBendtrans76.1-12.5171.300000117.9G430 K589G428-G430 PolarHBondContact O-N 3.12Å; G428-G430 VanDerWaalsContact O-N 3.12Å; G428-K589 WeakPolarHBondContact O-CE 3.27Å; G428-K589 PolarHBondContact O-NZ 2.66Å
429V93.9Very high96.6Very high1 Ų111.4 Ų11.41%0.0068%0.082CC..SBendtrans-72.43.9-177.6-58.10000115.8V426 N427 K431 V550 E552 T588V426-V429 HydrophobicContact CG2-CG1 3.56Å; V426-V429 WeakPolarHBondContact O-CG2 3.27Å; N427-V429 VanDerWaalsContact C-N 3.25Å; N427-V429 PolarHBondContact O-N 2.82Å; N427-V429 VanDerWaalsContact O-N 3.1Å; V429-K431 HydrophobicContact CG2-CG 4.21Å; V429-V550 HydrophobicContact CB-CG1 4.47Å; V429-V550 HydrophobicContact CG2-CB 4.19Å; V429-V550 HydrophobicContact CG2-CG1 4.03Å; V429-V550 WeakPolarHBondContact CG2-O 3.35Å; V429-E552 HydrophobicContact CB-CB 4.46Å; V429-E552 HydrophobicContact CG1-CB 4.25Å; V429-E552 HydrophobicContact CG1-CG 4.12Å; V429-T588 WeakPolarHBondContact O-CG2 3.42Å; V429-T588 PolarHBondContact O-OG1 3.02Å
430G95.1Very high96.6Very high23 Ų2312.2 Ų12.224%0.2379%0.085CC..  trans77.633.6173.500000116.7G428 T433 N434G428-G430 PolarHBondContact O-N 3.12Å; G428-G430 VanDerWaalsContact O-N 3.12Å; G430-T433 PolarHBondContact O-N 3.42Å; G430-N434 PolarHBondContact O-N 2.9Å; G430-N434 PolarHBondContact O-ND2 3.36Å
431K96.6Very high96.6Very high15 Ų1513.1 Ų13.17%0.0659%0.088CC..Hα-helixtrans-49.8-66.3175-75.3-171.9-66.6-67.80112.8G425 V426 V429 T433 N434 L435 T521 G523 V550G425-K431 PolarHBondContact O-NZ 3.05Å; V426-K431 PolarHBondContact O-NZ 3.13Å; V429-K431 HydrophobicContact CG2-CG 4.21Å; K431-T433 PolarHBondContact O-N 3Å; K431-N434 PolarHBondContact O-N 3.22Å; K431-L435 WeakPolarHBondContact O-CB 3.4Å; K431-L435 PolarHBondContact O-N 2.84Å; K431-T521 WeakPolarHBondContact CE-O 3.29Å; K431-G523 VanDerWaalsContact NZ-CA 3.26Å; K431-V550 HydrophobicContact CG-CB 3.79Å; K431-V550 HydrophobicContact CG-CG1 4.27Å; K431-V550 HydrophobicContact CG-CG2 3.81Å
432S96.9Very high96.5Very high5 Ų513.1 Ų13.14%0.0359%0.088CC..Hα-helixtrans-53.5-39.1-178.3-40.20000112.9A436 R458 D520S432-A436 PolarHBondContact O-N 3.41Å; S432-A436 VanDerWaalsContact O-N 3.13Å; S432-R458 PolarHBondContact OG-NH2 2.92Å; S432-R458 VanDerWaalsContact OG-NH2 3.12Å; S432-D520 WeakPolarHBondContact CA-OD2 3.32Å; S432-D520 WeakPolarHBondContact CB-OD2 3.45Å; S432-D520 PolarHBondContact OG-OD2 2.83Å
433T97.3Very high96.4Very high22 Ų2213 Ų1314%0.1359%0.088CC..Hα-helixtrans-66.7-51.2178.7-44.60000111.8G430 K431 L435 A436 K437G430-T433 PolarHBondContact O-N 3.42Å; K431-T433 PolarHBondContact O-N 3Å; T433-L435 VanDerWaalsContact C-N 3.34Å; T433-A436 WeakPolarHBondContact O-CB 3.48Å; T433-A436 PolarHBondContact O-N 3.01Å; T433-A436 VanDerWaalsContact O-N 3.13Å; T433-K437 WeakPolarHBondContact O-CG 3.38Å; T433-K437 PolarHBondContact O-N 3.45Å; T433-K437 VanDerWaalsContact O-N 3.07Å
434N98Very high96.3Very high6 Ų617.2 Ų17.23%0.03211%0.107CC..Hα-helixtrans-75.5-25.1-177.2-66.5-84.4000112.1G430 K431 A436 K437 I438 V586 T588G430-N434 PolarHBondContact O-N 2.9Å; G430-N434 PolarHBondContact O-ND2 3.36Å; K431-N434 PolarHBondContact O-N 3.22Å; N434-A436 VanDerWaalsContact C-N 3.34Å; N434-K437 PolarHBondContact O-N 2.89Å; N434-K437 WeakPolarHBondContact OD1-CD 3.42Å; N434-K437 WeakPolarHBondContact OD1-CE 3.36Å; N434-K437 PolarHBondContact OD1-NZ 3.06Å; N434-I438 WeakPolarHBondContact O-CD1 3.3Å; N434-I438 VanDerWaalsContact O-CG1 3.3Å; N434-I438 WeakPolarHBondContact O-CG1 3.42Å; N434-I438 PolarHBondContact O-N 3.32Å; N434-V586 HydrophobicContact CB-CG1 4.28Å; N434-T588 HydrophobicContact CB-CG2 4.43Å; N434-T588 VanDerWaalsContact ND2-CG2 3.32Å; N434-T588 WeakPolarHBondContact ND2-CG2 3.43Å
435L98.4Very high96.2Very high0 Ų019.7 Ų19.70%012%0.12CC..Hα-helixtrans-59-44.6164.2-174.5163.4000111.1F423 K431 T433 K437 I438 S439 I451 L518 D520F423-L435 HydrophobicContact CD2-CB 4.31Å; F423-L435 HydrophobicContact CD2-CD1 3.56Å; F423-L435 HydrophobicContact CD2-CG 3.92Å; F423-L435 HydrophobicContact CE2-CB 4.27Å; F423-L435 HydrophobicContact CE2-CD1 3.94Å; F423-L435 HydrophobicContact CE2-CG 3.8Å; F423-L435 HydrophobicContact CG-CB 4.47Å; F423-L435 HydrophobicContact CG-CD1 4.16Å; F423-L435 HydrophobicContact CZ-CB 4.38Å; F423-L435 HydrophobicContact CZ-CG 4.31Å; K431-L435 WeakPolarHBondContact O-CB 3.4Å; K431-L435 PolarHBondContact O-N 2.84Å; T433-L435 VanDerWaalsContact C-N 3.34Å; L435-K437 PolarHBondContact O-N 2.72Å; L435-I438 PolarHBondContact O-N 3.41Å; L435-S439 PolarHBondContact O-N 3.46Å; L435-S439 PolarHBondContact O-OG 2.87Å; L435-I451 HydrophobicContact CD2-CD1 4.24Å; L435-I451 HydrophobicContact CD2-CG1 4.11Å; L435-I451 HydrophobicContact CD2-CG2 3.97Å; L435-L518 HydrophobicContact CD1-CB 4.12Å; L435-L518 HydrophobicContact CD2-CB 3.91Å; L435-L518 HydrophobicContact CD2-CD1 4.01Å; L435-L518 HydrophobicContact CG-CB 3.9Å; L435-L518 HydrophobicContact CG-CD1 4.16Å; L435-D520 HydrophobicContact CD1-CB 3.62Å
436A98.3Very high96.2Very high0 Ų021.7 Ų21.70%014%0.14CC..Hα-helixtrans-65.9-35.2175.900000112.9S432 T433 N434 S439 F440 H468 Y620S432-A436 PolarHBondContact O-N 3.41Å; S432-A436 VanDerWaalsContact O-N 3.13Å; T433-A436 WeakPolarHBondContact O-CB 3.48Å; T433-A436 PolarHBondContact O-N 3.01Å; T433-A436 VanDerWaalsContact O-N 3.13Å; N434-A436 VanDerWaalsContact C-N 3.34Å; A436-S439 WeakPolarHBondContact O-CB 3.18Å; A436-S439 PolarHBondContact O-N 2.91Å; A436-F440 PolarHBondContact O-N 2.9Å; A436-H468 HydrophobicContact CB-CB 3.83Å; A436-Y620 HydrophobicContact CB-CD1 4.45Å; A436-Y620 HydrophobicContact CB-CE1 3.81Å
437K98.3Very high96.4Very high0 Ų022.3 Ų22.30%014%0.143CC..Hα-helixtrans-62.8-43.8170.3-54.3-172-172.1169.50112.1T433 N434 L435 S439 F440 W441 G617 T619 D622 L623T433-K437 WeakPolarHBondContact O-CG 3.38Å; T433-K437 PolarHBondContact O-N 3.45Å; T433-K437 VanDerWaalsContact O-N 3.07Å; N434-K437 PolarHBondContact O-N 2.89Å; N434-K437 WeakPolarHBondContact OD1-CD 3.42Å; N434-K437 WeakPolarHBondContact OD1-CE 3.36Å; N434-K437 PolarHBondContact OD1-NZ 3.06Å; L435-K437 PolarHBondContact O-N 2.72Å; K437-S439 VanDerWaalsContact C-N 3.31Å; K437-S439 PolarHBondContact O-N 3.48Å; K437-F440 WeakPolarHBondContact O-CB 3.32Å; K437-F440 PolarHBondContact O-N 2.9Å; K437-W441 PolarHBondContact O-N 3.39Å; K437-G617 PolarHBondContact NZ-O 3.29Å; K437-T619 WeakPolarHBondContact CD-O 3.34Å; K437-T619 WeakPolarHBondContact CE-O 3.49Å; K437-T619 WeakPolarHBondContact CG-O 3.25Å; K437-D622 WeakPolarHBondContact CD-O 3.21Å; K437-D622 PolarHBondContact NZ-O 3.07Å; K437-L623 HydrophobicContact CB-CB 4.31Å; K437-L623 HydrophobicContact CB-CD1 4.2Å; K437-L623 HydrophobicContact CB-CD2 4.19Å; K437-L623 HydrophobicContact CB-CG 4.48Å; K437-L623 HydrophobicContact CD-CB 4.26Å; K437-L623 HydrophobicContact CD-CD1 4.17Å
438I98.1Very high96.7Very high0 Ų018.7 Ų18.70%012%0.124CC..Hα-helixtrans-67.9-34.2177.7-68.6160.8000110.6M405 F423 N434 L435 W441 L442 L518 V586 F613 L623M405-I438 HydrophobicContact SD-CG2 4.34Å; F423-I438 HydrophobicContact CE1-CD1 3.55Å; F423-I438 HydrophobicContact CZ-CD1 3.72Å; F423-I438 HydrophobicContact CZ-CG2 4.43Å; N434-I438 WeakPolarHBondContact O-CD1 3.3Å; N434-I438 VanDerWaalsContact O-CG1 3.3Å; N434-I438 WeakPolarHBondContact O-CG1 3.42Å; N434-I438 PolarHBondContact O-N 3.32Å; L435-I438 PolarHBondContact O-N 3.41Å; I438-W441 PolarHBondContact O-N 2.86Å; I438-L442 HydrophobicContact CG2-CD1 4.05Å; I438-L442 HydrophobicContact CG2-CG 4.41Å; I438-L442 WeakPolarHBondContact O-CB 3.32Å; I438-L442 VanDerWaalsContact O-CG 3.24Å; I438-L442 WeakPolarHBondContact O-CG 3.38Å; I438-L442 PolarHBondContact O-N 3.43Å; I438-L518 HydrophobicContact CG2-CD1 4.3Å; I438-V586 HydrophobicContact CD1-CG2 4.42Å; I438-F613 HydrophobicContact CD1-CD2 3.49Å; I438-F613 VanDerWaalsContact CD1-CD2 3.49Å; I438-F613 HydrophobicContact CD1-CE2 3.69Å; I438-F613 HydrophobicContact CD1-CG 4.38Å; I438-F613 HydrophobicContact CG1-CD2 3.84Å; I438-F613 HydrophobicContact CG1-CE2 3.8Å; I438-F613 HydrophobicContact CG1-CG 4.45Å; I438-F613 HydrophobicContact CG1-CZ 4.41Å; I438-F613 HydrophobicContact CG2-CE2 4.35Å; I438-L623 HydrophobicContact CG1-CD1 4.47Å; I438-L623 HydrophobicContact CG1-CD2 3.83Å
439S98.3Very high97.1Very high0 Ų015.8 Ų15.80%09%0.094CC..Hα-helixtrans-59.6-49.8170.3-52.20000111L435 A436 K437 L442 L443 L518L435-S439 PolarHBondContact O-N 3.46Å; L435-S439 PolarHBondContact O-OG 2.87Å; A436-S439 WeakPolarHBondContact O-CB 3.18Å; A436-S439 PolarHBondContact O-N 2.91Å; K437-S439 VanDerWaalsContact C-N 3.31Å; K437-S439 PolarHBondContact O-N 3.48Å; S439-L442 PolarHBondContact O-N 3.29Å; S439-L443 WeakPolarHBondContact O-CB 3.22Å; S439-L443 WeakPolarHBondContact O-CD1 3.46Å; S439-L443 WeakPolarHBondContact O-CG 3.2Å; S439-L443 PolarHBondContact O-N 3.26Å; S439-L518 VanDerWaalsContact OG-CD1 3.32Å; S439-L518 WeakPolarHBondContact OG-CD1 3.09Å
440F98.1Very high97.3Very high20 Ų2015.8 Ų15.89%0.0889%0.094CC..Hα-helixtrans-57.6-49.4176177.6-116.1000111.9I281 A436 K437 L442 L443 E444 L472 L475 H476 Y620I281-F440 HydrophobicContact CG2-CZ 4.24Å; A436-F440 PolarHBondContact O-N 2.9Å; K437-F440 WeakPolarHBondContact O-CB 3.32Å; K437-F440 PolarHBondContact O-N 2.9Å; F440-L442 VanDerWaalsContact C-N 3.32Å; F440-L442 PolarHBondContact O-N 2.95Å; F440-L443 PolarHBondContact O-N 2.85Å; F440-L443 VanDerWaalsContact O-N 3.13Å; F440-E444 HydrophobicContact CD1-CG 4.5Å; F440-E444 HydrophobicContact CD2-CG 4.18Å; F440-E444 HydrophobicContact CE1-CG 4.08Å; F440-E444 HydrophobicContact CE2-CG 3.7Å; F440-E444 WeakPolarHBondContact CE2-OE1 3.41Å; F440-E444 HydrophobicContact CZ-CG 3.65Å; F440-E444 PolarHBondContact O-N 3.27Å; F440-L472 HydrophobicContact CB-CD2 3.69Å; F440-L472 HydrophobicContact CD2-CD2 4.3Å; F440-L472 HydrophobicContact CG-CD2 4.45Å; F440-L475 HydrophobicContact CD2-CD1 4.2Å; F440-L475 HydrophobicContact CE2-CD1 4.13Å; F440-H476 AromaticContact CD2-NE2 3.41Å; F440-H476 WeakPolarHBondContact CD2-NE2 3.24Å; F440-H476 AromaticContact CE2-NE2 3.52Å; F440-Y620 HydrophobicContact CB-CD2 4.37Å; F440-Y620 HydrophobicContact CB-CG 4.16Å; F440-Y620 HydrophobicContact CD2-CD2 4.5Å; F440-Y620 HydrophobicContact CG-CD2 4.37Å; F440-Y620 HydrophobicContact CG-CG 4.32Å
441W97.4Very high97.5Very high27 Ų2714.7 Ų14.710%0.1028%0.083CC..Hα-helixtrans-59.5-39.2177.9173.470.5000113.2G288 L290 M405 L406 K437 I438 N445 F613 L623G288-W441 VanDerWaalsContact O-CD1 3.3Å; G288-W441 PolarHBondContact O-NE1 3.3Å; L290-W441 HydrophobicContact CD1-CD2 4.31Å; L290-W441 HydrophobicContact CD1-CZ2 3.66Å; M405-W441 HydrophobicContact CB-CH2 4.28Å; M405-W441 HydrophobicContact CB-CZ3 4.36Å; M405-W441 HydrophobicContact CG-CZ3 4.32Å; M405-W441 HydrophobicContact SD-CZ3 3.82Å; L406-W441 HydrophobicContact CD1-CH2 4.25Å; L406-W441 HydrophobicContact CD1-CZ2 3.87Å; L406-W441 HydrophobicContact CD2-CH2 3.36Å; L406-W441 HydrophobicContact CD2-CZ2 3.66Å; L406-W441 HydrophobicContact CD2-CZ3 3.91Å; L406-W441 HydrophobicContact CG-CH2 3.58Å; L406-W441 HydrophobicContact CG-CZ2 3.74Å; K437-W441 PolarHBondContact O-N 3.39Å; I438-W441 PolarHBondContact O-N 2.86Å; W441-N445 PolarHBondContact NE1-ND2 3.47Å; W441-N445 PolarHBondContact O-N 3.36Å; W441-N445 VanDerWaalsContact O-N 3.1Å; W441-N445 PolarHBondContact O-ND2 3.07Å; W441-F613 HydrophobicContact CE3-CE1 4.25Å; W441-F613 AromaticContact CE3-CZ 3.96Å; W441-F613 HydrophobicContact CE3-CZ 3.96Å; W441-F613 HydrophobicContact CH2-CE1 4.25Å; W441-F613 HydrophobicContact CH2-CZ 4.06Å; W441-F613 HydrophobicContact CZ3-CE1 4.13Å; W441-F613 AromaticContact CZ3-CZ 3.64Å; W441-F613 HydrophobicContact CZ3-CZ 3.64Å; W441-L623 HydrophobicContact CB-CD2 4.22Å
442L97.8Very high97.6Very high0 Ų014 Ų140%08%0.08CC..Hα-helixtrans-67-39.1174.6-73.3169.8000112.5M405 L406 I409 I438 S439 F440 N445 G446 F447 V449 V516 L518M405-L442 HydrophobicContact SD-CD2 4.4Å; L406-L442 HydrophobicContact CD2-CD2 4.19Å; I409-L442 HydrophobicContact CD1-CD2 3.46Å; I409-L442 VanDerWaalsContact CD1-CD2 3.46Å; I438-L442 HydrophobicContact CG2-CD1 4.05Å; I438-L442 HydrophobicContact CG2-CG 4.41Å; I438-L442 WeakPolarHBondContact O-CB 3.32Å; I438-L442 VanDerWaalsContact O-CG 3.24Å; I438-L442 WeakPolarHBondContact O-CG 3.38Å; I438-L442 PolarHBondContact O-N 3.43Å; S439-L442 PolarHBondContact O-N 3.29Å; F440-L442 VanDerWaalsContact C-N 3.32Å; F440-L442 PolarHBondContact O-N 2.95Å; L442-N445 CarbonylContact O-C 3.31Å; L442-N445 WeakPolarHBondContact O-CA 3.27Å; L442-N445 PolarHBondContact O-N 3.23Å; L442-N445 VanDerWaalsContact O-N 3.14Å; L442-G446 PolarHBondContact O-N 3.3Å; L442-G446 VanDerWaalsContact O-N 3.14Å; L442-F447 HydrophobicContact CB-CB 4.43Å; L442-F447 HydrophobicContact CD2-CD2 4.45Å; L442-F447 PolarHBondContact O-N 2.83Å; L442-V449 HydrophobicContact CB-CG2 3.74Å; L442-V449 HydrophobicContact CD1-CG2 4.06Å; L442-V516 HydrophobicContact CD1-CB 4.31Å; L442-V516 HydrophobicContact CD1-CG1 3.92Å; L442-V516 HydrophobicContact CD1-CG2 4.23Å; L442-L518 HydrophobicContact CD1-CD1 4.26Å; L442-L518 HydrophobicContact CD1-CD2 4.19Å
443L96.8Very high97.6Very high0 Ų013.9 Ų13.90%08%0.079CC..Hα-helixtrans-67.4-39.2177.1-67.6161.3000112.1S439 F440 N445 G446 V449 L472 H476 M486 V487S439-L443 WeakPolarHBondContact O-CB 3.22Å; S439-L443 WeakPolarHBondContact O-CD1 3.46Å; S439-L443 WeakPolarHBondContact O-CG 3.2Å; S439-L443 PolarHBondContact O-N 3.26Å; F440-L443 PolarHBondContact O-N 2.85Å; F440-L443 VanDerWaalsContact O-N 3.13Å; L443-N445 PolarHBondContact O-N 3.28Å; L443-G446 WeakPolarHBondContact O-CA 3.35Å; L443-G446 PolarHBondContact O-N 3.35Å; L443-V449 HydrophobicContact CD2-CG2 4.43Å; L443-V449 HydrophobicContact CG-CG2 4.29Å; L443-L472 HydrophobicContact CD1-CB 4.15Å; L443-L472 HydrophobicContact CD1-CD2 4.26Å; L443-H476 HydrophobicContact CD2-CB 4.44Å; L443-M486 HydrophobicContact CD2-CB 3.59Å; L443-M486 WeakPolarHBondContact CD2-O 3.44Å; L443-V487 HydrophobicContact CD1-CB 4.02Å; L443-V487 HydrophobicContact CD1-CG1 4.38Å; L443-V487 HydrophobicContact CD1-CG2 4.31Å; L443-V487 HydrophobicContact CD2-CB 4.16Å
444E95.2Very high97.6Very high87 Ų8712.8 Ų12.841%0.4077%0.073SC..Hα-helixtrans-67.4-20.5170.6-72.1-64.5156.400113F440 H476F440-E444 HydrophobicContact CD1-CG 4.5Å; F440-E444 HydrophobicContact CD2-CG 4.18Å; F440-E444 HydrophobicContact CE1-CG 4.08Å; F440-E444 HydrophobicContact CE2-CG 3.7Å; F440-E444 WeakPolarHBondContact CE2-OE1 3.41Å; F440-E444 HydrophobicContact CZ-CG 3.65Å; F440-E444 PolarHBondContact O-N 3.27Å; E444-H476 IonicContact OE1-CE1 3.22Å; E444-H476 PolarHBondContact OE1-CE1 2.84Å; E444-H476 IonicContact OE1-NE2 2.98Å
445N94.9Very high97.4Very high53 Ų5312.7 Ų12.728%0.2837%0.072SC..THydrogen-bonded Turntrans-92.47.8168.2-77-89.8000113G288 L406 W441 L442 L443 F447G288-N445 PolarHBondContact O-ND2 3.08Å; L406-N445 WeakPolarHBondContact CD1-OD1 3.46Å; L406-N445 HydrophobicContact CD2-CB 4Å; W441-N445 PolarHBondContact NE1-ND2 3.47Å; W441-N445 PolarHBondContact O-N 3.36Å; W441-N445 VanDerWaalsContact O-N 3.1Å; W441-N445 PolarHBondContact O-ND2 3.07Å; L442-N445 CarbonylContact O-C 3.31Å; L442-N445 WeakPolarHBondContact O-CA 3.27Å; L442-N445 PolarHBondContact O-N 3.23Å; L442-N445 VanDerWaalsContact O-N 3.14Å; L443-N445 PolarHBondContact O-N 3.28Å; N445-F447 HydrophobicContact CB-CD2 3.94Å; N445-F447 HydrophobicContact CB-CE2 4.13Å; N445-F447 WeakPolarHBondContact O-CD2 3.27Å
446G95Very high97.1Very high42 Ų4213.6 Ų13.643%0.4338%0.078SC..THydrogen-bonded Turntrans81.47.8173.500000116.2L442 L443 M486L442-G446 PolarHBondContact O-N 3.3Å; L442-G446 VanDerWaalsContact O-N 3.14Å; L443-G446 WeakPolarHBondContact O-CA 3.35Å; L443-G446 PolarHBondContact O-N 3.35Å; G446-M486 WeakPolarHBondContact O-CE 3.19Å
447F97.4Very high96.6Very high22 Ų2221.5 Ų21.510%0.09611%0.112CC..  trans-89.2140.9178.1-64.7-80.1000111.9L406 I409 M410 L442 N445 D515 V516L406-F447 HydrophobicContact CD2-CD2 4.26Å; L406-F447 HydrophobicContact CD2-CE2 3.88Å; I409-F447 HydrophobicContact CB-CE1 4.24Å; I409-F447 HydrophobicContact CG2-CD1 3.49Å; I409-F447 VanDerWaalsContact CG2-CD1 3.49Å; I409-F447 HydrophobicContact CG2-CE1 3.47Å; I409-F447 VanDerWaalsContact CG2-CE1 3.47Å; I409-F447 HydrophobicContact CG2-CG 4.28Å; I409-F447 HydrophobicContact CG2-CZ 4.26Å; M410-F447 HydrophobicContact CG-CE1 4.29Å; M410-F447 HydrophobicContact CG-CZ 4Å; L442-F447 HydrophobicContact CB-CB 4.43Å; L442-F447 HydrophobicContact CD2-CD2 4.45Å; L442-F447 PolarHBondContact O-N 2.83Å; N445-F447 HydrophobicContact CB-CD2 3.94Å; N445-F447 HydrophobicContact CB-CE2 4.13Å; N445-F447 WeakPolarHBondContact O-CD2 3.27Å; F447-D515 HydrophobicContact CB-CB 4.36Å; F447-D515 HydrophobicContact CD1-CB 4.12Å; F447-V516 HydrophobicContact CB-CG2 4.29Å
448S97.9Very high96.2Very high9 Ų926.1 Ų26.16%0.06313%0.13CC..  trans-85.4139.6174.262.90000112M486 F514 D515 V516S448-M486 CarbonylContact C-O 3.47Å; S448-M486 VanDerWaalsContact CA-O 3.24Å; S448-M486 WeakPolarHBondContact CA-O 3.28Å; S448-F514 WeakPolarHBondContact OG-CA 3.21Å; S448-D515 WeakPolarHBondContact CB-OD2 3.46Å; S448-D515 PolarHBondContact N-OD2 3.45Å; S448-D515 PolarHBondContact O-N 2.89Å; S448-D515 VanDerWaalsContact OG-CG 3.32Å; S448-D515 PolarHBondContact OG-N 3.21Å; S448-D515 PolarHBondContact OG-OD2 2.88Å; S448-V516 PolarHBondContact O-N 3.41Å
449V98.6Very high95.8Very high0 Ų030.6 Ų30.60%017%0.167CC..EExtended strand (participates in β ladder)trans-129.5117.4-166.6-174.20000111.9L442 L443 I451 M486 V487 Q488 L518L442-V449 HydrophobicContact CB-CG2 3.74Å; L442-V449 HydrophobicContact CD1-CG2 4.06Å; L443-V449 HydrophobicContact CD2-CG2 4.43Å; L443-V449 HydrophobicContact CG-CG2 4.29Å; V449-I451 HydrophobicContact CG1-CG1 4.35Å; V449-M486 PolarHBondContact N-O 2.9Å; V449-V487 WeakPolarHBondContact O-CA 3.43Å; V449-Q488 PolarHBondContact O-N 3.29Å; V449-L518 HydrophobicContact CG1-CD1 3.68Å; V449-L518 HydrophobicContact CG1-CG 3.78Å
450L98.8Very high95.5Very high0 Ų032.3 Ų32.30%018%0.184CC..EExtended strand (participates in β ladder)trans-93.2119.6166-170.175.8000109.9Q488 F490 A505 F508 A509 F514 V516 V517 L518L450-Q488 HydrophobicContact CD1-CB 3.89Å; L450-Q488 HydrophobicContact CD1-CG 4.02Å; L450-F490 HydrophobicContact CD1-CB 4.16Å; L450-F490 HydrophobicContact CD2-CB 4.05Å; L450-F490 HydrophobicContact CG-CB 4.12Å; L450-A505 HydrophobicContact CD2-CB 4.18Å; L450-A505 WeakPolarHBondContact CD2-O 3.28Å; L450-F508 HydrophobicContact CD1-CD1 3.98Å; L450-F508 HydrophobicContact CD1-CE1 4.01Å; L450-F508 HydrophobicContact CD2-CD1 3.84Å; L450-A509 HydrophobicContact CB-CB 4.4Å; L450-A509 HydrophobicContact CD2-CB 3.79Å; L450-F514 HydrophobicContact CB-CB 4.2Å; L450-F514 HydrophobicContact CB-CD1 4.25Å; L450-F514 HydrophobicContact CB-CD2 4.36Å; L450-F514 HydrophobicContact CB-CG 4.02Å; L450-F514 HydrophobicContact CD1-CD2 4.3Å; L450-F514 HydrophobicContact CD1-CE2 4.16Å; L450-F514 HydrophobicContact CD1-CZ 4.41Å; L450-V516 PolarHBondContact N-O 2.77Å; L450-V517 HydrophobicContact CB-CG2 4.34Å; L450-V517 HydrophobicContact CD2-CG2 4.47Å; L450-V517 WeakPolarHBondContact O-CA 3.24Å; L450-L518 PolarHBondContact O-N 3.14Å
451I98.8Very high95.3Very high0 Ų031.3 Ų31.30%018%0.18CC..EExtended strand (participates in β ladder)trans-88.7120.3174.1-61.3176.2000108.2L435 V449 L465 L472 V487 Q488 L489 F490L435-I451 HydrophobicContact CD2-CD1 4.24Å; L435-I451 HydrophobicContact CD2-CG1 4.11Å; L435-I451 HydrophobicContact CD2-CG2 3.97Å; V449-I451 HydrophobicContact CG1-CG1 4.35Å; I451-L465 HydrophobicContact CG2-CB 4.47Å; I451-L465 HydrophobicContact CG2-CD1 4.29Å; I451-L465 HydrophobicContact CG2-CD2 4.13Å; I451-L472 HydrophobicContact CD1-CD1 4.2Å; I451-V487 HydrophobicContact CD1-CG2 4.29Å; I451-Q488 PolarHBondContact N-O 3.45Å; I451-L489 HydrophobicContact CB-CD1 4.03Å; I451-L489 HydrophobicContact CG2-CD1 3.74Å; I451-F490 PolarHBondContact O-N 2.93Å
452A98.6Very high95.2Very high0 Ų030.2 Ų30.20%018%0.176CC..EExtended strand (participates in β ladder)trans-100.3111178.300000110.8C454 A505 V517 L518 V519 D520A452-C454 PolarHBondContact O-N 2.9Å; A452-A505 HydrophobicContact CB-CB 3.61Å; A452-V517 HydrophobicContact CB-CG1 4.23Å; A452-L518 PolarHBondContact N-O 3.1Å; A452-V519 HydrophobicContact CB-CG2 4.22Å; A452-D520 PolarHBondContact O-N 3.38Å; A452-D520 VanDerWaalsContact O-N 3.09Å
453A97.6Very high95.1Very high3 Ų333.7 Ų33.73%0.02519%0.193CC..EExtended strand (participates in β ladder)trans-80.285.2-177.300000111.8V462 L465 L489 F490 E491A453-V462 HydrophobicContact CB-CG2 4.5Å; A453-L465 HydrophobicContact CB-CD1 3.75Å; A453-L489 HydrophobicContact CB-CD1 4.11Å; A453-F490 PolarHBondContact N-O 3.48Å; A453-E491 HydrophobicContact CB-CB 4.14Å
454C96.8Very high95.1Very high0 Ų036.2 Ų36.20%020%0.204CC..EExtended strand (participates in β ladder)trans-104.211.2-179-59.90000113.6A452 T456 A498 I501 V519 D520 L538A452-C454 PolarHBondContact O-N 2.9Å; C454-T456 PolarHBondContact O-N 3.13Å; C454-A498 HydrophobicContact CB-CB 3.99Å; C454-A498 WeakPolarHBondContact O-CB 3.26Å; C454-I501 VanDerWaalsContact SG-CG2 3.58Å; C454-V519 HydrophobicContact CB-CG1 3.96Å; C454-D520 CarbonylContact C-O 3.57Å; C454-D520 WeakPolarHBondContact CA-O 3.29Å; C454-D520 WeakPolarHBondContact CB-O 3.36Å; C454-D520 PolarHBondContact N-O 3.17Å; C454-L538 HydrophobicContact CB-CD1 4.44Å
455D95.3Very high95.2Very high3 Ų332.1 Ų32.12%0.01619%0.185CC..  trans-84.676.6160.9-171.2-3.7000110.2F457 R458 A461 D520 A522D455-F457 VanDerWaalsContact C-N 3.28Å; D455-F457 PolarHBondContact O-N 2.98Å; D455-R458 WeakPolarHBondContact OD1-CB 3.34Å; D455-R458 PolarHBondContact OD1-N 3.35Å; D455-R458 VanDerWaalsContact OD1-N 3.11Å; D455-R458 IonicContact OD2-CZ 3.02Å; D455-R458 VanDerWaalsContact OD2-CZ 3.24Å; D455-R458 IonicContact OD2-NE 3.79Å; D455-R458 PolarHBondContact OD2-NE 3.3Å; D455-R458 IonicContact OD2-NH2 2.79Å; D455-R458 PolarHBondContact OD2-NH2 3.44Å; D455-A461 HydrophobicContact CB-CB 3.82Å; D455-A461 WeakPolarHBondContact OD2-CB 3.29Å; D455-D520 PolarHBondContact N-O 3.42Å; D455-A522 HydrophobicContact CB-CB 4.26Å; D455-A522 VanDerWaalsContact CG-CA 3.49Å; D455-A522 WeakPolarHBondContact OD1-CA 3.4Å; D455-A522 VanDerWaalsContact OD1-CB 3.23Å; D455-A522 WeakPolarHBondContact OD1-CB 3.39Å
456T90.4Very high95.3Very high19 Ų1932.9 Ų32.912%0.11718%0.184CC..  trans-85.13.7-179.3550000114.1C454 G495 K496 I501C454-T456 PolarHBondContact O-N 3.13Å; T456-G495 PolarHBondContact O-N 3.48Å; T456-K496 WeakPolarHBondContact CB-O 3.26Å; T456-K496 HydrophobicContact CG2-CB 4.49Å; T456-K496 WeakPolarHBondContact CG2-O 3.35Å; T456-K496 PolarHBondContact OG1-O 3.3Å; T456-I501 HydrophobicContact CG2-CD1 3.34Å
457F87.9Confident95.5Very high166 Ų16634.2 Ų34.273%0.72818%0.184SC*.SBendtrans-110-39.2-172.1-176.7-98.7000113.2D455 A522D455-F457 VanDerWaalsContact C-N 3.28Å; D455-F457 PolarHBondContact O-N 2.98Å; F457-A522 HydrophobicContact CB-CB 4.32Å
458R91.1Very high95.5Very high97 Ų9734.2 Ų34.237%0.36618%0.184SC..SBendtrans-84.3121-178.8176.317654.8113.2-0.3111.2S432 D455 G460 A461 Y494S432-R458 PolarHBondContact OG-NH2 2.92Å; S432-R458 VanDerWaalsContact OG-NH2 3.12Å; D455-R458 WeakPolarHBondContact OD1-CB 3.34Å; D455-R458 PolarHBondContact OD1-N 3.35Å; D455-R458 VanDerWaalsContact OD1-N 3.11Å; D455-R458 IonicContact OD2-CZ 3.02Å; D455-R458 VanDerWaalsContact OD2-CZ 3.24Å; D455-R458 IonicContact OD2-NE 3.79Å; D455-R458 PolarHBondContact OD2-NE 3.3Å; D455-R458 IonicContact OD2-NH2 2.79Å; D455-R458 PolarHBondContact OD2-NH2 3.44Å; R458-G460 PolarHBondContact O-N 2.92Å; R458-A461 HydrophobicContact CB-CB 4.19Å; R458-A461 HydrophobicContact CG-CB 4.45Å; R458-A461 WeakPolarHBondContact O-CB 3.4Å; R458-A461 PolarHBondContact O-N 2.86Å; R458-A461 VanDerWaalsContact O-N 3.16Å; R458-Y494 VanDerWaalsContact O-CE1 3.25Å; R458-Y494 WeakPolarHBondContact O-CE1 3.2Å
459A89.1Confident95.5Very high94 Ų9434.4 Ų34.478%0.77719%0.185SC*.THydrogen-bonded Turntrans-55.2135.2173.800000111.7A461A459-A461 VanDerWaalsContact C-N 3.29Å; A459-A461 PolarHBondContact O-N 2.84Å
460G92.6Very high95.5Very high36 Ų3642.6 Ų42.637%0.37122%0.216SC..THydrogen-bonded Turntrans78.5-1.7-178.400000115.6R458 E463 Q464 Y494R458-G460 PolarHBondContact O-N 2.92Å; G460-E463 PolarHBondContact O-N 3.09Å; G460-Q464 WeakPolarHBondContact O-CB 3.47Å; G460-Q464 PolarHBondContact O-N 2.81Å; G460-Y494 VanDerWaalsContact C-OH 3.32Å; G460-Y494 VanDerWaalsContact CA-OH 3.32Å; G460-Y494 WeakPolarHBondContact CA-OH 3.4Å; G460-Y494 PolarHBondContact N-OH 3.22Å
461A93.6Very high95.4Very high0 Ų047.6 Ų47.60%024%0.235CC..Hα-helixtrans-65.7-38.4179.200000113.2D455 R458 A459 Q464 L465 Y494D455-A461 HydrophobicContact CB-CB 3.82Å; D455-A461 WeakPolarHBondContact OD2-CB 3.29Å; R458-A461 HydrophobicContact CB-CB 4.19Å; R458-A461 HydrophobicContact CG-CB 4.45Å; R458-A461 WeakPolarHBondContact O-CB 3.4Å; R458-A461 PolarHBondContact O-N 2.86Å; R458-A461 VanDerWaalsContact O-N 3.16Å; A459-A461 VanDerWaalsContact C-N 3.29Å; A459-A461 PolarHBondContact O-N 2.84Å; A461-Q464 PolarHBondContact O-N 2.96Å; A461-L465 PolarHBondContact O-N 3.37Å; A461-L465 VanDerWaalsContact O-N 3.16Å; A461-Y494 PolarHBondContact N-OH 2.65Å; A461-Y494 VanDerWaalsContact N-OH 3.14Å
462V94.8Very high95.3Very high3 Ų347.6 Ų47.62%0.01824%0.235CC..Hα-helixtrans-68.8-44.3176.2-1760000109.9A453 Q464 L465 R466 E491 Y494A453-V462 HydrophobicContact CB-CG2 4.5Å; V462-Q464 VanDerWaalsContact C-N 3.31Å; V462-Q464 PolarHBondContact O-N 3.5Å; V462-L465 PolarHBondContact O-N 2.81Å; V462-R466 WeakPolarHBondContact O-CB 3.49Å; V462-R466 PolarHBondContact O-N 3.25Å; V462-E491 HydrophobicContact CG1-CB 3.83Å; V462-E491 VanDerWaalsContact CG1-CD 3.48Å; V462-E491 HydrophobicContact CG1-CG 4.28Å; V462-E491 WeakPolarHBondContact CG1-OE1 3.36Å; V462-Y494 HydrophobicContact CB-CE1 4.42Å; V462-Y494 HydrophobicContact CB-CE2 4.37Å; V462-Y494 HydrophobicContact CG2-CD1 4.35Å; V462-Y494 HydrophobicContact CG2-CE1 3.73Å; V462-Y494 HydrophobicContact CG2-CE2 4.21Å; V462-Y494 PolarHBondContact N-OH 2.84Å
463E96.6Very high95.1Very high74 Ų7449.7 Ų49.735%0.34625%0.249SC..Hα-helixtrans-61.8-36175.8-74.558.9-128.300112.5G460 R466 T467 Y494G460-E463 PolarHBondContact O-N 3.09Å; E463-R466 PolarHBondContact O-N 2.92Å; E463-R466 IonicContact OE1-CZ 3.68Å; E463-R466 VanDerWaalsContact OE1-CZ 3.3Å; E463-R466 IonicContact OE1-NH1 3.29Å; E463-R466 PolarHBondContact OE1-NH1 2.99Å; E463-R466 IonicContact OE1-NH2 2.82Å; E463-R466 PolarHBondContact OE1-NH2 2.92Å; E463-T467 WeakPolarHBondContact O-CB 3.19Å; E463-T467 PolarHBondContact O-N 2.87Å; E463-T467 PolarHBondContact O-OG1 2.86Å; E463-Y494 PolarHBondContact OE2-OH 3.38Å
464Q96.1Very high95Very high53 Ų5351.3 Ų51.325%0.24826%0.263CS..Hα-helixtrans-60.6-52.2172.4-178.5178.56.100110.9G460 A461 V462 R466 T467 H468G460-Q464 WeakPolarHBondContact O-CB 3.47Å; G460-Q464 PolarHBondContact O-N 2.81Å; A461-Q464 PolarHBondContact O-N 2.96Å; V462-Q464 VanDerWaalsContact C-N 3.31Å; V462-Q464 PolarHBondContact O-N 3.5Å; Q464-R466 VanDerWaalsContact C-N 3.33Å; Q464-R466 PolarHBondContact O-N 2.79Å; Q464-T467 WeakPolarHBondContact O-CB 3.43Å; Q464-T467 PolarHBondContact O-N 2.91Å; Q464-H468 PolarHBondContact O-CD2 3.26Å; Q464-H468 VanDerWaalsContact O-CD2 3.23Å; Q464-H468 PolarHBondContact O-N 2.93Å
465L97.4Very high94.9Very high1 Ų152.1 Ų52.11%0.00527%0.267CS..Hα-helixtrans-65.8-34.3178-65.9174.6000112.5I451 A453 A461 V462 T467 H468 T469 L489 D520I451-L465 HydrophobicContact CG2-CB 4.47Å; I451-L465 HydrophobicContact CG2-CD1 4.29Å; I451-L465 HydrophobicContact CG2-CD2 4.13Å; A453-L465 HydrophobicContact CB-CD1 3.75Å; A461-L465 PolarHBondContact O-N 3.37Å; A461-L465 VanDerWaalsContact O-N 3.16Å; V462-L465 PolarHBondContact O-N 2.81Å; L465-T467 VanDerWaalsContact C-N 3.34Å; L465-H468 PolarHBondContact O-N 3.01Å; L465-T469 WeakPolarHBondContact O-CB 3.45Å; L465-T469 PolarHBondContact O-N 2.82Å; L465-T469 PolarHBondContact O-OG1 3.17Å; L465-L489 HydrophobicContact CB-CD1 3.81Å; L465-D520 HydrophobicContact CD1-CB 3.86Å; L465-D520 HydrophobicContact CD2-CB 4.45Å
466R97.6Very high94.9Very high69 Ų6952.4 Ų52.426%0.2627%0.268SS..Hα-helixtrans-65-37.4174.5-159.6-175.4-61.7128.90.1111.7V462 E463 Q464 R470 L489 E491V462-R466 WeakPolarHBondContact O-CB 3.49Å; V462-R466 PolarHBondContact O-N 3.25Å; E463-R466 PolarHBondContact O-N 2.92Å; E463-R466 IonicContact OE1-CZ 3.68Å; E463-R466 VanDerWaalsContact OE1-CZ 3.3Å; E463-R466 IonicContact OE1-NH1 3.29Å; E463-R466 PolarHBondContact OE1-NH1 2.99Å; E463-R466 IonicContact OE1-NH2 2.82Å; E463-R466 PolarHBondContact OE1-NH2 2.92Å; Q464-R466 VanDerWaalsContact C-N 3.33Å; Q464-R466 PolarHBondContact O-N 2.79Å; R466-R470 WeakPolarHBondContact O-CB 3.5Å; R466-R470 VanDerWaalsContact O-CG 3.3Å; R466-R470 WeakPolarHBondContact O-CG 3.48Å; R466-R470 PolarHBondContact O-N 3.17Å; R466-L489 HydrophobicContact CB-CD2 3.74Å; R466-L489 HydrophobicContact CG-CD2 4.06Å; R466-E491 IonicContact CZ-OE1 3.05Å; R466-E491 IonicContact CZ-OE2 2.81Å; R466-E491 VanDerWaalsContact CZ-OE2 3.26Å; R466-E491 IonicContact NE-OE1 2.71Å; R466-E491 IonicContact NE-OE2 3.3Å; R466-E491 PolarHBondContact NE-OE2 3.34Å; R466-E491 VanDerWaalsContact NH2-CD 3.29Å; R466-E491 IonicContact NH2-OE1 3.24Å; R466-E491 PolarHBondContact NH2-OE1 3.14Å; R466-E491 IonicContact NH2-OE2 4Å; R466-E491 PolarHBondContact NH2-OE2 3.4Å
467T98Very high95.1Very high69 Ų6952.9 Ų52.942%0.42327%0.271SS..Hα-helixtrans-68.3-44.5174.4-56.10000111.4E463 Q464 L465 R470 R471E463-T467 WeakPolarHBondContact O-CB 3.19Å; E463-T467 PolarHBondContact O-N 2.87Å; E463-T467 PolarHBondContact O-OG1 2.86Å; Q464-T467 WeakPolarHBondContact O-CB 3.43Å; Q464-T467 PolarHBondContact O-N 2.91Å; L465-T467 VanDerWaalsContact C-N 3.34Å; T467-R470 PolarHBondContact O-N 2.92Å; T467-R471 PolarHBondContact O-N 3.4Å; T467-R471 VanDerWaalsContact O-N 3.15Å
468H98.1Very high95.4Very high23 Ų2347 Ų4711%0.10625%0.25CS..Hα-helixtrans-60.1-48.2173.4-74.8-59.2000111.9A436 Q464 L465 R470 R471 L472 Y620A436-H468 HydrophobicContact CB-CB 3.83Å; Q464-H468 PolarHBondContact O-CD2 3.26Å; Q464-H468 VanDerWaalsContact O-CD2 3.23Å; Q464-H468 PolarHBondContact O-N 2.93Å; L465-H468 PolarHBondContact O-N 3.01Å; H468-R470 PolarHBondContact O-N 3.48Å; H468-R471 PolarHBondContact O-N 2.81Å; H468-L472 VanDerWaalsContact O-CG 3.28Å; H468-L472 WeakPolarHBondContact O-CG 3.21Å; H468-L472 PolarHBondContact O-N 3.24Å; H468-Y620 WeakPolarHBondContact CA-OH 3.32Å; H468-Y620 AromaticContact ND1-CE1 3.55Å; H468-Y620 AromaticContact ND1-CZ 3.74Å; H468-Y620 PolarHBondContact ND1-OH 3.38Å; H468-Y620 PolarHBondContact O-OH 3.45Å
469T97.9Very high95.6Very high13 Ų1349.8 Ų49.88%0.0827%0.267CS..Hα-helixtrans-55.7-48.6178.1-55.10000111.2L465 R471 L472 S473 V487 L489L465-T469 WeakPolarHBondContact O-CB 3.45Å; L465-T469 PolarHBondContact O-N 2.82Å; L465-T469 PolarHBondContact O-OG1 3.17Å; T469-R471 PolarHBondContact O-N 3.12Å; T469-L472 PolarHBondContact O-N 3.3Å; T469-S473 PolarHBondContact O-N 3Å; T469-S473 PolarHBondContact O-OG 3.25Å; T469-S473 VanDerWaalsContact O-OG 3.08Å; T469-V487 HydrophobicContact CG2-CG2 4.49Å; T469-L489 HydrophobicContact CG2-CB 4.06Å
470R97.8Very high95.7Very high171 Ų17151.4 Ų51.465%0.64526%0.257SS*.Hα-helixtrans-58.1-44.1177.5-76.5171.6175.4-178.5-2.9112.9R466 T467 H468 S473 A474R466-R470 WeakPolarHBondContact O-CB 3.5Å; R466-R470 VanDerWaalsContact O-CG 3.3Å; R466-R470 WeakPolarHBondContact O-CG 3.48Å; R466-R470 PolarHBondContact O-N 3.17Å; T467-R470 PolarHBondContact O-N 2.92Å; H468-R470 PolarHBondContact O-N 3.48Å; R470-S473 WeakPolarHBondContact CA-OG 3.34Å; R470-S473 PolarHBondContact O-OG 2.94Å; R470-A474 PolarHBondContact O-N 2.97Å; R470-A474 VanDerWaalsContact O-N 3.09Å
471R97.2Very high95.7Very high105 Ų10552.9 Ų52.940%0.39625%0.254SS..Hα-helixtrans-64.8-43.9176-80.8177.2159.6163.9-6.9111.7D277 T467 H468 T469 A474 L475 Y620D277-R471 IonicContact OD2-CZ 2.68Å; D277-R471 IonicContact OD2-NE 2.7Å; D277-R471 PolarHBondContact OD2-NE 3.38Å; D277-R471 IonicContact OD2-NH2 2.96Å; D277-R471 PolarHBondContact OD2-NH2 3Å; T467-R471 PolarHBondContact O-N 3.4Å; T467-R471 VanDerWaalsContact O-N 3.15Å; H468-R471 PolarHBondContact O-N 2.81Å; T469-R471 PolarHBondContact O-N 3.12Å; R471-A474 PolarHBondContact O-N 3.39Å; R471-L475 WeakPolarHBondContact O-CG 3.39Å; R471-L475 PolarHBondContact O-N 3.31Å; R471-L475 VanDerWaalsContact O-N 3.13Å; R471-Y620 HydrophobicContact CB-CE2 4.18Å
472L96.9Very high95.6Very high0 Ų056.5 Ų56.50%029%0.291CS..Hα-helixtrans-64.9-41.1177.8-66.6167.7000111.7F440 L443 I451 H468 T469 A474 L475 H476 V487 Y620F440-L472 HydrophobicContact CB-CD2 3.69Å; F440-L472 HydrophobicContact CD2-CD2 4.3Å; F440-L472 HydrophobicContact CG-CD2 4.45Å; L443-L472 HydrophobicContact CD1-CB 4.15Å; L443-L472 HydrophobicContact CD1-CD2 4.26Å; I451-L472 HydrophobicContact CD1-CD1 4.2Å; H468-L472 VanDerWaalsContact O-CG 3.28Å; H468-L472 WeakPolarHBondContact O-CG 3.21Å; H468-L472 PolarHBondContact O-N 3.24Å; T469-L472 PolarHBondContact O-N 3.3Å; L472-A474 VanDerWaalsContact C-N 3.29Å; L472-A474 PolarHBondContact O-N 2.83Å; L472-L475 PolarHBondContact O-N 2.85Å; L472-H476 PolarHBondContact O-CD2 2.96Å; L472-H476 PolarHBondContact O-N 3.4Å; L472-V487 HydrophobicContact CB-CG1 3.9Å; L472-V487 HydrophobicContact CB-CG2 4.26Å; L472-V487 HydrophobicContact CD1-CG2 4.35Å; L472-Y620 HydrophobicContact CD2-CD2 3.86Å; L472-Y620 HydrophobicContact CD2-CE2 3.58Å; L472-Y620 HydrophobicContact CD2-CG 4.5Å; L472-Y620 HydrophobicContact CG-CE2 4.02Å
473S94.8Very high95.5Very high44 Ų4459.3 Ų59.331%0.30832%0.321SS..Hα-helixtrans-68.3-25.2175.456.70000113.3T469 R470 H476 P477T469-S473 PolarHBondContact O-N 3Å; T469-S473 PolarHBondContact O-OG 3.25Å; T469-S473 VanDerWaalsContact O-OG 3.08Å; R470-S473 WeakPolarHBondContact CA-OG 3.34Å; R470-S473 PolarHBondContact O-OG 2.94Å; S473-H476 CarbonylContact O-C 3.17Å; S473-P477 WeakPolarHBondContact O-CA 3.24Å; S473-P477 VanDerWaalsContact O-CB 3.3Å; S473-P477 WeakPolarHBondContact O-CB 3.41Å; S473-P477 VanDerWaalsContact O-N 3.12Å
474A95.9Very high95.3Very high37 Ų3764.7 Ų64.731%0.30634%0.338SS..Hα-helixtrans-77.4-28.517300000112.6I278 R470 R471 L472I278-A474 HydrophobicContact CD1-CB 4.02Å; R470-A474 PolarHBondContact O-N 2.97Å; R470-A474 VanDerWaalsContact O-N 3.09Å; R471-A474 PolarHBondContact O-N 3.39Å; L472-A474 VanDerWaalsContact C-N 3.29Å; L472-A474 PolarHBondContact O-N 2.83Å
475L93.8Very high95.3Very high17 Ų1765.9 Ų65.99%0.08935%0.349CS..Hα-helixtrans-75.9-42.5172-68.4168.3000111.5I278 I281 F440 R471 L472 P477 K480 Y620I278-L475 HydrophobicContact CB-CD2 4.48Å; I278-L475 HydrophobicContact CG1-CD2 4.04Å; I278-L475 HydrophobicContact CG2-CD2 4.23Å; I281-L475 HydrophobicContact CD1-CD1 4.34Å; I281-L475 HydrophobicContact CG2-CD1 4.34Å; I281-L475 HydrophobicContact CG2-CD2 4.24Å; F440-L475 HydrophobicContact CD2-CD1 4.2Å; F440-L475 HydrophobicContact CE2-CD1 4.13Å; R471-L475 WeakPolarHBondContact O-CG 3.39Å; R471-L475 PolarHBondContact O-N 3.31Å; R471-L475 VanDerWaalsContact O-N 3.13Å; L472-L475 PolarHBondContact O-N 2.85Å; L475-P477 WeakPolarHBondContact O-CD 3.3Å; L475-K480 PolarHBondContact O-NZ 2.95Å; L475-Y620 HydrophobicContact CD1-CD2 3.93Å; L475-Y620 HydrophobicContact CD1-CE2 4.13Å
476H94.8Very high95.3Very high10 Ų1066.4 Ų66.45%0.04635%0.352CS..SBendtrans-11762-178.8-54.3-86.5000112.2F440 L443 E444 L472 S473 H481F440-H476 AromaticContact CD2-NE2 3.41Å; F440-H476 WeakPolarHBondContact CD2-NE2 3.24Å; F440-H476 AromaticContact CE2-NE2 3.52Å; L443-H476 HydrophobicContact CD2-CB 4.44Å; E444-H476 IonicContact OE1-CE1 3.22Å; E444-H476 PolarHBondContact OE1-CE1 2.84Å; E444-H476 IonicContact OE1-NE2 2.98Å; L472-H476 PolarHBondContact O-CD2 2.96Å; L472-H476 PolarHBondContact O-N 3.4Å; S473-H476 CarbonylContact O-C 3.17Å; H476-H481 AromaticContact ND1-NE2 3.9Å
477P95.5Very high95.3Very high28 Ų2863.5 Ų63.518%0.18234%0.341CS..  trans-77.7155.1-176.537.3-40000111.1S473 L475 E479 K480 H481S473-P477 WeakPolarHBondContact O-CA 3.24Å; S473-P477 VanDerWaalsContact O-CB 3.3Å; S473-P477 WeakPolarHBondContact O-CB 3.41Å; S473-P477 VanDerWaalsContact O-N 3.12Å; L475-P477 WeakPolarHBondContact O-CD 3.3Å; P477-E479 VanDerWaalsContact CB-OE2 3.32Å; P477-E479 WeakPolarHBondContact CB-OE2 3.35Å; P477-E479 PolarHBondContact O-N 3.45Å; P477-K480 HydrophobicContact CG-CD 4.33Å; P477-K480 HydrophobicContact CG-CG 4.17Å; P477-K480 PolarHBondContact O-N 2.79Å; P477-H481 PolarHBondContact O-CD2 3.49Å
478P94.6Very high95.3Very high43 Ų4363.4 Ų63.428%0.27934%0.336SS..G310 helixtrans-56.8-28.7-169.2-26.836.3000115K480 H481 G482 G483 R484P478-K480 VanDerWaalsContact C-N 3.25Å; P478-K480 PolarHBondContact O-N 2.98Å; P478-H481 CarbonylContact O-C 3.16Å; P478-H481 VanDerWaalsContact O-C 3.31Å; P478-H481 PolarHBondContact O-N 2.66Å; P478-G482 PolarHBondContact O-N 3.47Å; P478-G483 WeakPolarHBondContact O-CA 3.44Å; P478-G483 PolarHBondContact O-N 3.07Å; P478-R484 WeakPolarHBondContact CA-O 3.31Å
479E94.3Very high95.3Very high156 Ų15663.4 Ų63.473%0.72934%0.337SS*.G310 helixtrans-63.1-30.9180-56.372.6-158.100112P477 H481P477-E479 VanDerWaalsContact CB-OE2 3.32Å; P477-E479 WeakPolarHBondContact CB-OE2 3.35Å; P477-E479 PolarHBondContact O-N 3.45Å; E479-H481 VanDerWaalsContact C-N 3.33Å
480K92.1Very high95.4Very high128 Ų12863.7 Ų63.756%0.55734%0.337SS*.G310 helixtrans-78-18.5172.9-62.7-172.2-165.2168.90113.2L475 P477 P478L475-K480 PolarHBondContact O-NZ 2.95Å; P477-K480 HydrophobicContact CG-CD 4.33Å; P477-K480 HydrophobicContact CG-CG 4.17Å; P477-K480 PolarHBondContact O-N 2.79Å; P478-K480 VanDerWaalsContact C-N 3.25Å; P478-K480 PolarHBondContact O-N 2.98Å
481H92.9Very high95.3Very high66 Ų6658.6 Ų58.631%0.30632%0.32SS..G310 helixtrans-121.535.1-169.4-63.2-81.7000112.4H476 P477 P478 E479 G483 R484 M486H476-H481 AromaticContact ND1-NE2 3.9Å; P477-H481 PolarHBondContact O-CD2 3.49Å; P478-H481 CarbonylContact O-C 3.16Å; P478-H481 VanDerWaalsContact O-C 3.31Å; P478-H481 PolarHBondContact O-N 2.66Å; E479-H481 VanDerWaalsContact C-N 3.33Å; H481-G483 VanDerWaalsContact C-N 3.33Å; H481-G483 PolarHBondContact O-N 2.99Å; H481-R484 WeakPolarHBondContact O-CB 3.37Å; H481-R484 PolarHBondContact O-N 3.11Å; H481-M486 HydrophobicContact CB-CG 3.42Å; H481-M486 VanDerWaalsContact CB-CG 3.42Å; H481-M486 HydrophobicContact CB-SD 3.86Å
482G91.1Very high95.1Very high76 Ų7657.2 Ų57.278%0.78432%0.317SS*.THydrogen-bonded Turntrans65.731.5172.900000114.4P478P478-G482 PolarHBondContact O-N 3.47Å
483G92Very high94.7Very high62 Ų6258.3 Ų58.364%0.63933%0.329SS*.THydrogen-bonded Turntrans80.39.1-177.900000114.8P478 H481P478-G483 WeakPolarHBondContact O-CA 3.44Å; P478-G483 PolarHBondContact O-N 3.07Å; H481-G483 VanDerWaalsContact C-N 3.33Å; H481-G483 PolarHBondContact O-N 2.99Å
484R93.3Very high94.5Very high187 Ų18760.4 Ų60.471%0.70633%0.331SS*.  trans-93.9137.1-178.3-60.9-176.2177.9-168.7-0.6112.5P478 H481 M486P478-R484 WeakPolarHBondContact CA-O 3.31Å; H481-R484 WeakPolarHBondContact O-CB 3.37Å; H481-R484 PolarHBondContact O-N 3.11Å; R484-M486 HydrophobicContact CB-SD 4.47Å; R484-M486 PolarHBondContact O-N 3.47Å; R484-M486 VanDerWaalsContact O-N 3.08Å
485T95.8Very high94Very high78 Ų7862.2 Ų62.248%0.47935%0.353SS..  trans-70.998.6169.5-56.60000109.8Q488 F514T485-Q488 HydrophobicContact CG2-CB 4.23Å; T485-F514 HydrophobicContact CG2-CZ 4.28Å; T485-F514 WeakPolarHBondContact O-CE1 3.39Å
486M96.7Very high93.8Very high13 Ų1366.8 Ų66.86%0.06437%0.372CS..  trans-75.1-27.3-178.1-66.8-59-6800113.8L443 G446 S448 V449 H481 R484L443-M486 HydrophobicContact CD2-CB 3.59Å; L443-M486 WeakPolarHBondContact CD2-O 3.44Å; G446-M486 WeakPolarHBondContact O-CE 3.19Å; S448-M486 CarbonylContact C-O 3.47Å; S448-M486 VanDerWaalsContact CA-O 3.24Å; S448-M486 WeakPolarHBondContact CA-O 3.28Å; V449-M486 PolarHBondContact N-O 2.9Å; H481-M486 HydrophobicContact CB-CG 3.42Å; H481-M486 VanDerWaalsContact CB-CG 3.42Å; H481-M486 HydrophobicContact CB-SD 3.86Å; R484-M486 HydrophobicContact CB-SD 4.47Å; R484-M486 PolarHBondContact O-N 3.47Å; R484-M486 VanDerWaalsContact O-N 3.08Å
487V98Very high93.7Very high7 Ų770 Ų704%0.04239%0.39CS..EExtended strand (participates in β ladder)trans-137.9134.5179.866.20000111.7L443 V449 I451 T469 L472L443-V487 HydrophobicContact CD1-CB 4.02Å; L443-V487 HydrophobicContact CD1-CG1 4.38Å; L443-V487 HydrophobicContact CD1-CG2 4.31Å; L443-V487 HydrophobicContact CD2-CB 4.16Å; V449-V487 WeakPolarHBondContact O-CA 3.43Å; I451-V487 HydrophobicContact CD1-CG2 4.29Å; T469-V487 HydrophobicContact CG2-CG2 4.49Å; L472-V487 HydrophobicContact CB-CG1 3.9Å; L472-V487 HydrophobicContact CB-CG2 4.26Å; L472-V487 HydrophobicContact CD1-CG2 4.35Å
488Q98.4Very high93.7Very high67 Ų6769.4 Ų69.431%0.31339%0.387SS..EExtended strand (participates in β ladder)trans-145.8149.3-179.9-179.8169.2-5.100111.4V449 L450 I451 T485 F514V449-Q488 PolarHBondContact O-N 3.29Å; L450-Q488 HydrophobicContact CD1-CB 3.89Å; L450-Q488 HydrophobicContact CD1-CG 4.02Å; I451-Q488 PolarHBondContact N-O 3.45Å; T485-Q488 HydrophobicContact CG2-CB 4.23Å; Q488-F514 HydrophobicContact CB-CE1 4.05Å; Q488-F514 HydrophobicContact CB-CE2 4.38Å; Q488-F514 HydrophobicContact CB-CZ 3.57Å; Q488-F514 HydrophobicContact CG-CZ 4.48Å
489L98.5Very high93.7Very high24 Ų2467.5 Ų67.513%0.12638%0.375CS..EExtended strand (participates in β ladder)trans-94.3129.1171.1-172.364.7000110.3I451 A453 L465 R466 T469 E491I451-L489 HydrophobicContact CB-CD1 4.03Å; I451-L489 HydrophobicContact CG2-CD1 3.74Å; A453-L489 HydrophobicContact CB-CD1 4.11Å; L465-L489 HydrophobicContact CB-CD1 3.81Å; R466-L489 HydrophobicContact CB-CD2 3.74Å; R466-L489 HydrophobicContact CG-CD2 4.06Å; T469-L489 HydrophobicContact CG2-CB 4.06Å; L489-E491 HydrophobicContact CD2-CB 4.33Å; L489-E491 HydrophobicContact CD2-CG 4.17Å; L489-E491 VanDerWaalsContact CD2-OE2 3.27Å; L489-E491 WeakPolarHBondContact CD2-OE2 3.5Å; L489-E491 HydrophobicContact CG-CB 4.29Å; L489-E491 HydrophobicContact CG-CG 4.32Å
490F98.3Very high93.8Very high19 Ų1961.2 Ų61.28%0.08335%0.352CS..EExtended strand (participates in β ladder)trans-101.3111.2163.7-167.6-86.1000109.1L450 I451 A453 K492 I501 E504 A505 F508L450-F490 HydrophobicContact CD1-CB 4.16Å; L450-F490 HydrophobicContact CD2-CB 4.05Å; L450-F490 HydrophobicContact CG-CB 4.12Å; I451-F490 PolarHBondContact O-N 2.93Å; A453-F490 PolarHBondContact N-O 3.48Å; F490-K492 HydrophobicContact CE1-CD 4.46Å; F490-K492 VanDerWaalsContact CE1-CE 3.47Å; F490-K492 HydrophobicContact CE1-CG 4.13Å; F490-I501 HydrophobicContact CD1-CG2 3.99Å; F490-I501 HydrophobicContact CE1-CG2 4.09Å; F490-E504 HydrophobicContact CE1-CB 3.82Å; F490-E504 HydrophobicContact CZ-CB 3.54Å; F490-A505 HydrophobicContact CB-CB 4.06Å; F490-A505 HydrophobicContact CD1-CB 3.55Å; F490-A505 HydrophobicContact CD2-CB 4.38Å; F490-A505 HydrophobicContact CE1-CB 4.04Å; F490-A505 HydrophobicContact CG-CB 3.73Å; F490-F508 HydrophobicContact CD2-CB 3.94Å; F490-F508 AromaticContact CD2-CD1 3.92Å; F490-F508 HydrophobicContact CD2-CD1 3.92Å; F490-F508 HydrophobicContact CD2-CD2 4.44Å; F490-F508 AromaticContact CD2-CG 3.85Å; F490-F508 HydrophobicContact CD2-CG 3.85Å; F490-F508 HydrophobicContact CE2-CB 3.7Å; F490-F508 HydrophobicContact CE2-CD1 4.39Å; F490-F508 HydrophobicContact CE2-CD2 4.17Å; F490-F508 AromaticContact CE2-CG 3.84Å; F490-F508 HydrophobicContact CE2-CG 3.84Å
491E95.9Very high94.1Very high63 Ų6355.3 Ų55.329%0.29433%0.326SS..  trans-131.7155179.256.7164.4-76.300111.4A453 V462 R466 L489A453-E491 HydrophobicContact CB-CB 4.14Å; V462-E491 HydrophobicContact CG1-CB 3.83Å; V462-E491 VanDerWaalsContact CG1-CD 3.48Å; V462-E491 HydrophobicContact CG1-CG 4.28Å; V462-E491 WeakPolarHBondContact CG1-OE1 3.36Å; R466-E491 IonicContact CZ-OE1 3.05Å; R466-E491 IonicContact CZ-OE2 2.81Å; R466-E491 VanDerWaalsContact CZ-OE2 3.26Å; R466-E491 IonicContact NE-OE1 2.71Å; R466-E491 IonicContact NE-OE2 3.3Å; R466-E491 PolarHBondContact NE-OE2 3.34Å; R466-E491 VanDerWaalsContact NH2-CD 3.29Å; R466-E491 IonicContact NH2-OE1 3.24Å; R466-E491 PolarHBondContact NH2-OE1 3.14Å; R466-E491 IonicContact NH2-OE2 4Å; R466-E491 PolarHBondContact NH2-OE2 3.4Å; L489-E491 HydrophobicContact CD2-CB 4.33Å; L489-E491 HydrophobicContact CD2-CG 4.17Å; L489-E491 VanDerWaalsContact CD2-OE2 3.27Å; L489-E491 WeakPolarHBondContact CD2-OE2 3.5Å; L489-E491 HydrophobicContact CG-CB 4.29Å; L489-E491 HydrophobicContact CG-CG 4.32Å
492K94.1Very high94.3Very high76 Ų7652.1 Ų52.133%0.3331%0.312SS..  trans-130.36.8174.6-63.6-74.7168.3150.20112.8F490 K496 I501 E504F490-K492 HydrophobicContact CE1-CD 4.46Å; F490-K492 VanDerWaalsContact CE1-CE 3.47Å; F490-K492 HydrophobicContact CE1-CG 4.13Å; K492-K496 HydrophobicContact CB-CD 3.8Å; K492-K496 WeakPolarHBondContact O-CD 3.43Å; K492-K496 WeakPolarHBondContact O-CE 3.44Å; K492-K496 PolarHBondContact O-NZ 3.13Å; K492-I501 HydrophobicContact CB-CD1 4.04Å; K492-I501 HydrophobicContact CB-CG1 4.13Å; K492-I501 HydrophobicContact CG-CD1 4.5Å; K492-I501 HydrophobicContact CG-CG1 4.09Å; K492-I501 HydrophobicContact CG-CG2 4.43Å; K492-E504 VanDerWaalsContact CE-OE2 3.25Å; K492-E504 WeakPolarHBondContact CE-OE2 3.27Å; K492-E504 IonicContact NZ-OE2 2.76Å; K492-E504 PolarHBondContact NZ-OE2 3.2Å
493G88.6Confident94.6Very high24 Ų2453.3 Ų53.325%0.24730%0.298CS..  trans77.1179.1-169.900000114
494Y90.2Very high94.9Very high88 Ų8854.8 Ų54.835%0.34529%0.288SS..THydrogen-bonded Turntrans-74.6165-173.7-63.8-74.4000114.1R458 G460 A461 V462 E463 K496R458-Y494 VanDerWaalsContact O-CE1 3.25Å; R458-Y494 WeakPolarHBondContact O-CE1 3.2Å; G460-Y494 VanDerWaalsContact C-OH 3.32Å; G460-Y494 VanDerWaalsContact CA-OH 3.32Å; G460-Y494 WeakPolarHBondContact CA-OH 3.4Å; G460-Y494 PolarHBondContact N-OH 3.22Å; A461-Y494 PolarHBondContact N-OH 2.65Å; A461-Y494 VanDerWaalsContact N-OH 3.14Å; V462-Y494 HydrophobicContact CB-CE1 4.42Å; V462-Y494 HydrophobicContact CB-CE2 4.37Å; V462-Y494 HydrophobicContact CG2-CD1 4.35Å; V462-Y494 HydrophobicContact CG2-CE1 3.73Å; V462-Y494 HydrophobicContact CG2-CE2 4.21Å; V462-Y494 PolarHBondContact N-OH 2.84Å; E463-Y494 PolarHBondContact OE2-OH 3.38Å; Y494-K496 VanDerWaalsContact C-N 3.31Å; Y494-K496 PolarHBondContact O-N 2.95Å
495G85.8Confident95.1Very high75 Ų7545.9 Ų45.977%0.77326%0.255SS*.THydrogen-bonded Turntrans74.85.9171.300000116.7T456T456-G495 PolarHBondContact O-N 3.48Å
496K89.4Confident95.3Very high113 Ų11343.9 Ų43.949%0.49124%0.241SC..SBendtrans-99.9159.8-178.1-71.7175.1-177.9174.40112.9T456 K492 Y494 A498 I501T456-K496 WeakPolarHBondContact CB-O 3.26Å; T456-K496 HydrophobicContact CG2-CB 4.49Å; T456-K496 WeakPolarHBondContact CG2-O 3.35Å; T456-K496 PolarHBondContact OG1-O 3.3Å; K492-K496 HydrophobicContact CB-CD 3.8Å; K492-K496 WeakPolarHBondContact O-CD 3.43Å; K492-K496 WeakPolarHBondContact O-CE 3.44Å; K492-K496 PolarHBondContact O-NZ 3.13Å; Y494-K496 VanDerWaalsContact C-N 3.31Å; Y494-K496 PolarHBondContact O-N 2.95Å; K496-A498 PolarHBondContact O-N 3.1Å; K496-I501 HydrophobicContact CB-CD1 4.02Å
497D92.8Very high95.3Very high78 Ų7845.5 Ų45.542%0.41726%0.256SS..  trans-67.4112.1178-175.20000111.3A499 G500 I501 K537D497-A499 PolarHBondContact O-N 3.35Å; D497-A499 WeakPolarHBondContact OD1-CB 3.4Å; D497-A499 PolarHBondContact OD1-N 3.13Å; D497-G500 PolarHBondContact O-N 3.06Å; D497-I501 PolarHBondContact O-N 3.04Å; D497-I501 VanDerWaalsContact O-N 3.12Å; D497-K537 IonicContact OD2-NZ 2.71Å; D497-K537 PolarHBondContact OD2-NZ 3.02Å
498A94.4Very high95.4Very high15 Ų1547.9 Ų47.912%0.12427%0.266CS..Hα-helixtrans-54.1-32.817600000113.3C454 K496 G500 A502 L538C454-A498 HydrophobicContact CB-CB 3.99Å; C454-A498 WeakPolarHBondContact O-CB 3.26Å; K496-A498 PolarHBondContact O-N 3.1Å; A498-G500 VanDerWaalsContact C-N 3.35Å; A498-A502 WeakPolarHBondContact O-CB 3.48Å; A498-A502 PolarHBondContact O-N 3.19Å; A498-A502 VanDerWaalsContact O-N 3.13Å; A498-L538 HydrophobicContact CB-CD1 3.82Å
499A95.5Very high95.3Very high3 Ų344.7 Ų44.73%0.02525%0.251CS..Hα-helixtrans-69.4-33178.200000112.5D497 M503 K537 L538 N542D497-A499 PolarHBondContact O-N 3.35Å; D497-A499 WeakPolarHBondContact OD1-CB 3.4Å; D497-A499 PolarHBondContact OD1-N 3.13Å; A499-M503 PolarHBondContact O-N 3.38Å; A499-K537 HydrophobicContact CB-CD 4.21Å; A499-K537 HydrophobicContact CB-CG 4.35Å; A499-L538 HydrophobicContact CB-CB 4.06Å; A499-N542 PolarHBondContact O-ND2 3.09Å
500G96.6Very high95.3Very high24 Ų2451.2 Ų51.225%0.24727%0.274CS..Hα-helixtrans-75.9-41.7175.400000112.5D497 A498 A502 M503 E504D497-G500 PolarHBondContact O-N 3.06Å; A498-G500 VanDerWaalsContact C-N 3.35Å; G500-A502 VanDerWaalsContact C-N 3.31Å; G500-A502 PolarHBondContact O-N 3.1Å; G500-M503 WeakPolarHBondContact O-CB 3.35Å; G500-M503 PolarHBondContact O-N 2.93Å; G500-M503 VanDerWaalsContact O-N 3.14Å; G500-E504 PolarHBondContact O-N 3.03Å
501I97.1Very high95.2Very high3 Ų356.5 Ų56.52%0.01530%0.303CS..Hα-helixtrans-60.3-42.9176-61.4175.3000110.8C454 T456 F490 K492 K496 D497 M503 E504 A505C454-I501 VanDerWaalsContact SG-CG2 3.58Å; T456-I501 HydrophobicContact CG2-CD1 3.34Å; F490-I501 HydrophobicContact CD1-CG2 3.99Å; F490-I501 HydrophobicContact CE1-CG2 4.09Å; K492-I501 HydrophobicContact CB-CD1 4.04Å; K492-I501 HydrophobicContact CB-CG1 4.13Å; K492-I501 HydrophobicContact CG-CD1 4.5Å; K492-I501 HydrophobicContact CG-CG1 4.09Å; K492-I501 HydrophobicContact CG-CG2 4.43Å; K496-I501 HydrophobicContact CB-CD1 4.02Å; D497-I501 PolarHBondContact O-N 3.04Å; D497-I501 VanDerWaalsContact O-N 3.12Å; I501-M503 VanDerWaalsContact C-N 3.34Å; I501-M503 PolarHBondContact O-N 3.49Å; I501-E504 PolarHBondContact O-N 3.45Å; I501-A505 VanDerWaalsContact O-CB 3.28Å; I501-A505 WeakPolarHBondContact O-CB 3.22Å; I501-A505 PolarHBondContact O-N 2.8Å
502A98Very high95.2Very high0 Ų059.4 Ų59.40%032%0.317CS..Hα-helixtrans-59.8-43.9174.900000111.9A498 G500 A505 I506 V519 L538A498-A502 WeakPolarHBondContact O-CB 3.48Å; A498-A502 PolarHBondContact O-N 3.19Å; A498-A502 VanDerWaalsContact O-N 3.13Å; G500-A502 VanDerWaalsContact C-N 3.31Å; G500-A502 PolarHBondContact O-N 3.1Å; A502-A505 PolarHBondContact O-N 2.74Å; A502-I506 WeakPolarHBondContact O-CD1 3.48Å; A502-I506 WeakPolarHBondContact O-CG1 3.47Å; A502-I506 PolarHBondContact O-N 2.64Å; A502-V519 HydrophobicContact CB-CG1 4.17Å; A502-L538 HydrophobicContact CB-CG 4.38Å
503M97.8Very high95.3Very high101 Ų10158.4 Ų58.450%0.49833%0.328SS..Hα-helixtrans-62.8-47.5179-173.9-173.4-67.700111.8A499 G500 I501 A505 I506 A507 V541 N542A499-M503 PolarHBondContact O-N 3.38Å; G500-M503 WeakPolarHBondContact O-CB 3.35Å; G500-M503 PolarHBondContact O-N 2.93Å; G500-M503 VanDerWaalsContact O-N 3.14Å; I501-M503 VanDerWaalsContact C-N 3.34Å; I501-M503 PolarHBondContact O-N 3.49Å; M503-A505 VanDerWaalsContact C-N 3.32Å; M503-A505 PolarHBondContact O-N 2.92Å; M503-I506 PolarHBondContact O-N 3.41Å; M503-A507 PolarHBondContact O-N 3.15Å; M503-A507 VanDerWaalsContact O-N 3.07Å; M503-V541 HydrophobicContact CE-CG1 3.34Å; M503-N542 WeakPolarHBondContact CA-OD1 3.48Å; M503-N542 WeakPolarHBondContact CB-OD1 3.35Å; M503-N542 PolarHBondContact N-OD1 3.07Å
504E98.1Very high95.7Very high93 Ų9357.8 Ų57.844%0.43532%0.319SS..Hα-helixtrans-64.1-37.2176.5-66.3-177-123.800111.9F490 K492 G500 I501 A507 F508F490-E504 HydrophobicContact CE1-CB 3.82Å; F490-E504 HydrophobicContact CZ-CB 3.54Å; K492-E504 VanDerWaalsContact CE-OE2 3.25Å; K492-E504 WeakPolarHBondContact CE-OE2 3.27Å; K492-E504 IonicContact NZ-OE2 2.76Å; K492-E504 PolarHBondContact NZ-OE2 3.2Å; G500-E504 PolarHBondContact O-N 3.03Å; I501-E504 PolarHBondContact O-N 3.45Å; E504-A507 PolarHBondContact O-N 3.42Å; E504-F508 VanDerWaalsContact O-CB 3.27Å; E504-F508 WeakPolarHBondContact O-CB 3.47Å; E504-F508 PolarHBondContact O-N 2.83Å
505A98.4Very high96.1Very high0 Ų055.3 Ų55.30%031%0.311CS..Hα-helixtrans-65.5-42.5176.900000112.2L450 A452 F490 I501 A502 M503 F508 A509L450-A505 HydrophobicContact CD2-CB 4.18Å; L450-A505 WeakPolarHBondContact CD2-O 3.28Å; A452-A505 HydrophobicContact CB-CB 3.61Å; F490-A505 HydrophobicContact CB-CB 4.06Å; F490-A505 HydrophobicContact CD1-CB 3.55Å; F490-A505 HydrophobicContact CD2-CB 4.38Å; F490-A505 HydrophobicContact CE1-CB 4.04Å; F490-A505 HydrophobicContact CG-CB 3.73Å; I501-A505 VanDerWaalsContact O-CB 3.28Å; I501-A505 WeakPolarHBondContact O-CB 3.22Å; I501-A505 PolarHBondContact O-N 2.8Å; A502-A505 PolarHBondContact O-N 2.74Å; M503-A505 VanDerWaalsContact C-N 3.32Å; M503-A505 PolarHBondContact O-N 2.92Å; A505-F508 PolarHBondContact O-N 3.11Å; A505-A509 WeakPolarHBondContact O-CB 3.33Å; A505-A509 PolarHBondContact O-N 3.34Å
506I98.3Very high96.7Very high35 Ų3551.7 Ų51.718%0.17927%0.274CS..Hα-helixtrans-65.7-40.9177.6-65.4160.5000110.7P418 V420 A502 M503 R510 V517 N542P418-I506 HydrophobicContact CG-CG2 4.3Å; V420-I506 HydrophobicContact CG1-CD1 3.79Å; V420-I506 HydrophobicContact CG1-CG1 4.08Å; V420-I506 HydrophobicContact CG2-CD1 4.07Å; V420-I506 HydrophobicContact CG2-CG1 3.88Å; V420-I506 HydrophobicContact CG2-CG2 4.16Å; A502-I506 WeakPolarHBondContact O-CD1 3.48Å; A502-I506 WeakPolarHBondContact O-CG1 3.47Å; A502-I506 PolarHBondContact O-N 2.64Å; M503-I506 PolarHBondContact O-N 3.41Å; I506-R510 WeakPolarHBondContact O-CB 3.27Å; I506-R510 PolarHBondContact O-N 3.24Å; I506-R510 VanDerWaalsContact O-N 3.1Å; I506-V517 HydrophobicContact CG1-CG1 4.2Å; I506-N542 HydrophobicContact CD1-CB 3.88Å
507A98.1Very high97.2Very high48 Ų4846.3 Ų46.340%0.39725%0.251SS..Hα-helixtrans-64.7-42.5173.500000112.1M503 E504 R510 N511M503-A507 PolarHBondContact O-N 3.15Å; M503-A507 VanDerWaalsContact O-N 3.07Å; E504-A507 PolarHBondContact O-N 3.42Å; A507-R510 PolarHBondContact O-N 3.23Å; A507-N511 WeakPolarHBondContact O-CB 3.12Å; A507-N511 PolarHBondContact O-N 3.04Å; A507-N511 VanDerWaalsContact O-N 3.08Å; A507-N511 PolarHBondContact O-ND2 3.32Å
508F98.3Very high97.5Very high57 Ų5742.6 Ų42.625%0.2523%0.231CC..Hα-helixtrans-62.8-47.3176.3-177.8-93000111.9L450 F490 E504 A505 R510 N511 Q512 F514L450-F508 HydrophobicContact CD1-CD1 3.98Å; L450-F508 HydrophobicContact CD1-CE1 4.01Å; L450-F508 HydrophobicContact CD2-CD1 3.84Å; F490-F508 HydrophobicContact CD2-CB 3.94Å; F490-F508 AromaticContact CD2-CD1 3.92Å; F490-F508 HydrophobicContact CD2-CD1 3.92Å; F490-F508 HydrophobicContact CD2-CD2 4.44Å; F490-F508 AromaticContact CD2-CG 3.85Å; F490-F508 HydrophobicContact CD2-CG 3.85Å; F490-F508 HydrophobicContact CE2-CB 3.7Å; F490-F508 HydrophobicContact CE2-CD1 4.39Å; F490-F508 HydrophobicContact CE2-CD2 4.17Å; F490-F508 AromaticContact CE2-CG 3.84Å; F490-F508 HydrophobicContact CE2-CG 3.84Å; E504-F508 VanDerWaalsContact O-CB 3.27Å; E504-F508 WeakPolarHBondContact O-CB 3.47Å; E504-F508 PolarHBondContact O-N 2.83Å; A505-F508 PolarHBondContact O-N 3.11Å; F508-R510 VanDerWaalsContact C-N 3.34Å; F508-R510 PolarHBondContact O-N 2.87Å; F508-N511 PolarHBondContact O-N 2.96Å; F508-N511 VanDerWaalsContact O-N 3.15Å; F508-Q512 HydrophobicContact CD1-CG 4.14Å; F508-Q512 HydrophobicContact CD2-CG 4.23Å; F508-Q512 HydrophobicContact CE1-CB 4.47Å; F508-Q512 HydrophobicContact CE1-CG 3.78Å; F508-Q512 HydrophobicContact CE2-CG 3.87Å; F508-Q512 HydrophobicContact CG-CG 4.36Å; F508-Q512 HydrophobicContact CZ-CG 3.64Å; F508-Q512 WeakPolarHBondContact O-CB 3.49Å; F508-Q512 WeakPolarHBondContact O-CG 3.2Å; F508-Q512 PolarHBondContact O-N 3.48Å; F508-F514 HydrophobicContact CE1-CE2 4.24Å
509A98.1Very high97.7Very high0 Ų042 Ų420%023%0.226CC..Hα-helixtrans-55.2-47.9175.900000111.9P418 L450 A505 N511 Q512 G513 F514 V517P418-A509 HydrophobicContact CB-CB 4.11Å; P418-A509 HydrophobicContact CG-CB 4.06Å; L450-A509 HydrophobicContact CB-CB 4.4Å; L450-A509 HydrophobicContact CD2-CB 3.79Å; A505-A509 WeakPolarHBondContact O-CB 3.33Å; A505-A509 PolarHBondContact O-N 3.34Å; A509-N511 VanDerWaalsContact C-N 3.3Å; A509-N511 PolarHBondContact O-N 3.02Å; A509-Q512 PolarHBondContact O-N 2.81Å; A509-G513 PolarHBondContact O-N 3.03Å; A509-F514 HydrophobicContact CB-CB 4Å; A509-F514 PolarHBondContact O-N 2.8Å; A509-V517 HydrophobicContact CB-CG2 3.28Å
510R96.9Very high97.8Very high161 Ų16141.8 Ų41.861%0.60822%0.224SC*.Hα-helixtrans-62.5-35.9178.3-167.3178.1-172-154.9-3.8113Q416 P418 I506 A507 F508Q416-R510 PolarHBondContact O-NE 2.81Å; P418-R510 HydrophobicContact CG-CB 4.46Å; I506-R510 WeakPolarHBondContact O-CB 3.27Å; I506-R510 PolarHBondContact O-N 3.24Å; I506-R510 VanDerWaalsContact O-N 3.1Å; A507-R510 PolarHBondContact O-N 3.23Å; F508-R510 VanDerWaalsContact C-N 3.34Å; F508-R510 PolarHBondContact O-N 2.87Å
511N97Very high97.8Very high130 Ų13040.7 Ų40.770%0.69521%0.213SC*.Hα-helixtrans-80-28.7-179.6-68.4-11.9000113.4A507 F508 A509A507-N511 WeakPolarHBondContact O-CB 3.12Å; A507-N511 PolarHBondContact O-N 3.04Å; A507-N511 VanDerWaalsContact O-N 3.08Å; A507-N511 PolarHBondContact O-ND2 3.32Å; F508-N511 PolarHBondContact O-N 2.96Å; F508-N511 VanDerWaalsContact O-N 3.15Å; A509-N511 VanDerWaalsContact C-N 3.3Å; A509-N511 PolarHBondContact O-N 3.02Å
512Q96.2Very high97.6Very high123 Ų12340.9 Ų40.958%0.57522%0.215SC*.Hα-helixtrans-95.2-9.3178.4-62.2-59.4-42.600113.6F508 A509 F514F508-Q512 HydrophobicContact CD1-CG 4.14Å; F508-Q512 HydrophobicContact CD2-CG 4.23Å; F508-Q512 HydrophobicContact CE1-CB 4.47Å; F508-Q512 HydrophobicContact CE1-CG 3.78Å; F508-Q512 HydrophobicContact CE2-CG 3.87Å; F508-Q512 HydrophobicContact CG-CG 4.36Å; F508-Q512 HydrophobicContact CZ-CG 3.64Å; F508-Q512 WeakPolarHBondContact O-CB 3.49Å; F508-Q512 WeakPolarHBondContact O-CG 3.2Å; F508-Q512 PolarHBondContact O-N 3.48Å; A509-Q512 PolarHBondContact O-N 2.81Å; Q512-F514 HydrophobicContact CB-CD2 3.85Å; Q512-F514 HydrophobicContact CB-CE2 3.87Å
513G95.4Very high97.2Very high55 Ų5541.5 Ų41.557%0.56722%0.221SC*.THydrogen-bonded Turntrans81.930.2177.900000114.9A509A509-G513 PolarHBondContact O-N 3.03Å
514F98.3Very high96.7Very high12 Ų1237.3 Ų37.35%0.05320%0.2CC..  trans-75.7136.3170.4-74.4-85.2000111S448 L450 T485 Q488 F508 A509 Q512S448-F514 WeakPolarHBondContact OG-CA 3.21Å; L450-F514 HydrophobicContact CB-CB 4.2Å; L450-F514 HydrophobicContact CB-CD1 4.25Å; L450-F514 HydrophobicContact CB-CD2 4.36Å; L450-F514 HydrophobicContact CB-CG 4.02Å; L450-F514 HydrophobicContact CD1-CD2 4.3Å; L450-F514 HydrophobicContact CD1-CE2 4.16Å; L450-F514 HydrophobicContact CD1-CZ 4.41Å; T485-F514 HydrophobicContact CG2-CZ 4.28Å; T485-F514 WeakPolarHBondContact O-CE1 3.39Å; Q488-F514 HydrophobicContact CB-CE1 4.05Å; Q488-F514 HydrophobicContact CB-CE2 4.38Å; Q488-F514 HydrophobicContact CB-CZ 3.57Å; Q488-F514 HydrophobicContact CG-CZ 4.48Å; F508-F514 HydrophobicContact CE1-CE2 4.24Å; A509-F514 HydrophobicContact CB-CB 4Å; A509-F514 PolarHBondContact O-N 2.8Å; Q512-F514 HydrophobicContact CB-CD2 3.85Å; Q512-F514 HydrophobicContact CB-CE2 3.87Å
515D98.1Very high96.2Very high35 Ų3537.7 Ų37.719%0.18720%0.203CC..SBendtrans-77.1-35.1-176.5-56.9-68.2000112.8I409 Q413 P418 Y419 F447 S448I409-D515 HydrophobicContact CG2-CB 4.49Å; Q413-D515 PolarHBondContact NE2-OD1 3.08Å; P418-D515 CarbonylContact C-O 3.58Å; P418-D515 VanDerWaalsContact CA-O 3.31Å; P418-D515 WeakPolarHBondContact CA-O 3.47Å; Y419-D515 PolarHBondContact N-O 3.08Å; F447-D515 HydrophobicContact CB-CB 4.36Å; F447-D515 HydrophobicContact CD1-CB 4.12Å; S448-D515 WeakPolarHBondContact CB-OD2 3.46Å; S448-D515 PolarHBondContact N-OD2 3.45Å; S448-D515 PolarHBondContact O-N 2.89Å; S448-D515 VanDerWaalsContact OG-CG 3.32Å; S448-D515 PolarHBondContact OG-N 3.21Å; S448-D515 PolarHBondContact OG-OD2 2.88Å
516V98.6Very high95.5Very high0 Ų038.6 Ų38.60%021%0.207CC..EExtended strand (participates in β ladder)trans-132.2140.3-174.1-168.20000111I409 Y419 L442 F447 S448 L450 L518I409-V516 HydrophobicContact CD1-CG2 3.66Å; I409-V516 HydrophobicContact CG1-CG2 3.97Å; I409-V516 HydrophobicContact CG2-CG2 3.99Å; Y419-V516 CarbonylContact O-C 3.44Å; Y419-V516 WeakPolarHBondContact O-CA 3.39Å; Y419-V516 WeakPolarHBondContact O-CG1 3.38Å; L442-V516 HydrophobicContact CD1-CB 4.31Å; L442-V516 HydrophobicContact CD1-CG1 3.92Å; L442-V516 HydrophobicContact CD1-CG2 4.23Å; F447-V516 HydrophobicContact CB-CG2 4.29Å; S448-V516 PolarHBondContact O-N 3.41Å; L450-V516 PolarHBondContact N-O 2.77Å; V516-L518 HydrophobicContact CG1-CD2 3.58Å; V516-L518 HydrophobicContact CG1-CG 4.23Å
517V98.8Very high94.8Very high0 Ų042.1 Ų42.10%023%0.226CC..EExtended strand (participates in β ladder)trans-115.4119.3168.8179.40000109.3P418 Y419 V420 V421 L450 A452 I506 A509 V519P418-V517 HydrophobicContact CB-CG2 3.9Å; P418-V517 HydrophobicContact CG-CG2 4.23Å; Y419-V517 PolarHBondContact O-N 3.2Å; V420-V517 HydrophobicContact CG2-CB 4.4Å; V421-V517 PolarHBondContact N-O 2.97Å; L450-V517 HydrophobicContact CB-CG2 4.34Å; L450-V517 HydrophobicContact CD2-CG2 4.47Å; L450-V517 WeakPolarHBondContact O-CA 3.24Å; A452-V517 HydrophobicContact CB-CG1 4.23Å; I506-V517 HydrophobicContact CG1-CG1 4.2Å; A509-V517 HydrophobicContact CB-CG2 3.28Å; V517-V519 HydrophobicContact CG1-CG2 4.01Å
518L98.8Very high94.4Very high0 Ų043 Ų430%022%0.224CC..EExtended strand (participates in β ladder)trans-105.9112.1175.9-55.6-175.1000109.9V421 F423 L435 I438 S439 L442 V449 L450 A452 V516V421-L518 HydrophobicContact CB-CD2 3.73Å; V421-L518 HydrophobicContact CG1-CD2 4.49Å; V421-L518 HydrophobicContact CG2-CD2 3.88Å; F423-L518 HydrophobicContact CE2-CB 4.06Å; F423-L518 HydrophobicContact CE2-CD2 4.04Å; F423-L518 HydrophobicContact CE2-CG 4.43Å; L435-L518 HydrophobicContact CD1-CB 4.12Å; L435-L518 HydrophobicContact CD2-CB 3.91Å; L435-L518 HydrophobicContact CD2-CD1 4.01Å; L435-L518 HydrophobicContact CG-CB 3.9Å; L435-L518 HydrophobicContact CG-CD1 4.16Å; I438-L518 HydrophobicContact CG2-CD1 4.3Å; S439-L518 VanDerWaalsContact OG-CD1 3.32Å; S439-L518 WeakPolarHBondContact OG-CD1 3.09Å; L442-L518 HydrophobicContact CD1-CD1 4.26Å; L442-L518 HydrophobicContact CD1-CD2 4.19Å; V449-L518 HydrophobicContact CG1-CD1 3.68Å; V449-L518 HydrophobicContact CG1-CG 3.78Å; L450-L518 PolarHBondContact O-N 3.14Å; A452-L518 PolarHBondContact N-O 3.1Å; V516-L518 HydrophobicContact CG1-CD2 3.58Å; V516-L518 HydrophobicContact CG1-CG 4.23Å
519V98.6Very high93.8Very high1 Ų143 Ų431%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-95.7108.1-176.2-172.40000110.3V420 V421 F423 A452 C454 A502 V517 T521 L538V420-V519 HydrophobicContact CG1-CG2 4.25Å; V421-V519 PolarHBondContact O-N 3.03Å; F423-V519 PolarHBondContact N-O 3.45Å; A452-V519 HydrophobicContact CB-CG2 4.22Å; C454-V519 HydrophobicContact CB-CG1 3.96Å; A502-V519 HydrophobicContact CB-CG1 4.17Å; V517-V519 HydrophobicContact CG1-CG2 4.01Å; V519-T521 HydrophobicContact CG1-CG2 4.19Å; V519-L538 HydrophobicContact CG1-CD2 4.49Å
520D97.9Very high93.3Very high0 Ų047.8 Ų47.80%027%0.266CS..EExtended strand (participates in β ladder)trans-82.3123171.4-161.217.3000109.6S432 L435 A452 C454 D455 L465S432-D520 WeakPolarHBondContact CA-OD2 3.32Å; S432-D520 WeakPolarHBondContact CB-OD2 3.45Å; S432-D520 PolarHBondContact OG-OD2 2.83Å; L435-D520 HydrophobicContact CD1-CB 3.62Å; A452-D520 PolarHBondContact O-N 3.38Å; A452-D520 VanDerWaalsContact O-N 3.09Å; C454-D520 CarbonylContact C-O 3.57Å; C454-D520 WeakPolarHBondContact CA-O 3.29Å; C454-D520 WeakPolarHBondContact CB-O 3.36Å; C454-D520 PolarHBondContact N-O 3.17Å; D455-D520 PolarHBondContact N-O 3.42Å; L465-D520 HydrophobicContact CD1-CB 3.86Å; L465-D520 HydrophobicContact CD2-CB 4.45Å
521T96.3Very high92.8Very high0 Ų042.4 Ų42.40%025%0.249CC..EExtended strand (participates in β ladder)trans-108.3146179.372.70000111.7T422 F423 K431 V519 G523 L535 L538T422-T521 HydrophobicContact CG2-CG2 3.89Å; F423-T521 WeakPolarHBondContact O-CB 3.33Å; F423-T521 WeakPolarHBondContact O-CG2 3.38Å; F423-T521 PolarHBondContact O-N 3.35Å; F423-T521 PolarHBondContact O-OG1 3.02Å; K431-T521 WeakPolarHBondContact CE-O 3.29Å; V519-T521 HydrophobicContact CG1-CG2 4.19Å; T521-G523 PolarHBondContact O-N 2.96Å; T521-L535 HydrophobicContact CG2-CD1 4.28Å; T521-L538 HydrophobicContact CG2-CD1 3.99Å; T521-L538 HydrophobicContact CG2-CD2 4.36Å
522A93.2Very high92.6Very high8 Ų836.4 Ų36.47%0.06622%0.217CC..  trans-50.9134.8173.100000111.5D455 F457 R524D455-A522 HydrophobicContact CB-CB 4.26Å; D455-A522 VanDerWaalsContact CG-CA 3.49Å; D455-A522 WeakPolarHBondContact OD1-CA 3.4Å; D455-A522 VanDerWaalsContact OD1-CB 3.23Å; D455-A522 WeakPolarHBondContact OD1-CB 3.39Å; F457-A522 HydrophobicContact CB-CB 4.32Å; A522-R524 VanDerWaalsContact O-CZ 3.28Å; A522-R524 PolarHBondContact O-NE 3.21Å; A522-R524 PolarHBondContact O-NH2 3.26Å
523G90.2Very high92.3Very high13 Ų1333.5 Ų33.513%0.13421%0.208CC..  trans-63.2145.2171.400000111.6N427 K431 T521N427-G523 WeakPolarHBondContact OD1-CA 2.94Å; N427-G523 PolarHBondContact OD1-O 2.99Å; K431-G523 VanDerWaalsContact NZ-CA 3.26Å; T521-G523 PolarHBondContact O-N 2.96Å
524R87.6Confident92.1Very high12 Ų1232.9 Ų32.95%0.04520%0.197CC..  trans-153.3138.3-175.859.1-158.976.2-157.94.3110.3V426 A522 L531 M532 F566V426-R524 WeakPolarHBondContact CA-O 3.28Å; A522-R524 VanDerWaalsContact O-CZ 3.28Å; A522-R524 PolarHBondContact O-NE 3.21Å; A522-R524 PolarHBondContact O-NH2 3.26Å; R524-L531 HydrophobicContact CB-CB 3.76Å; R524-L531 HydrophobicContact CB-CD1 3.83Å; R524-L531 HydrophobicContact CB-CG 4.44Å; R524-L531 WeakPolarHBondContact CD-O 3.43Å; R524-L531 HydrophobicContact CG-CB 4.46Å; R524-L531 PolarHBondContact NH1-O 3Å; R524-M532 HydrophobicContact CG-SD 3.73Å; R524-F566 HydrophobicContact CG-CZ 4.04Å
525M87.4Confident91.9Very high101 Ų10132.3 Ų32.350%0.49820%0.195SC..  trans-72.9146174.4-62-50.5-165.800110.1V426 N427 D527 N528V426-M525 HydrophobicContact CB-SD 4.26Å; N427-M525 HydrophobicContact CB-CE 4.41Å; M525-D527 PolarHBondContact O-N 2.83Å; M525-N528 WeakPolarHBondContact O-CB 3.37Å; M525-N528 PolarHBondContact O-N 3.5Å
526Q83Confident91.6Very high20 Ų2030.6 Ų30.69%0.09319%0.186CC..THydrogen-bonded Turntrans-65.4-21.5-169.666.9-83.117.800114.4D561 Q562 K565 F566Q526-D561 VanDerWaalsContact CG-OD2 3.29Å; Q526-D561 WeakPolarHBondContact CG-OD2 3.45Å; Q526-D561 PolarHBondContact NE2-OD2 3.38Å; Q526-Q562 HydrophobicContact CG-CG 4.3Å; Q526-K565 HydrophobicContact CB-CB 3.83Å; Q526-K565 HydrophobicContact CB-CD 4.03Å; Q526-K565 HydrophobicContact CG-CB 4.12Å; Q526-K565 HydrophobicContact CG-CD 3.45Å; Q526-K565 VanDerWaalsContact CG-CD 3.45Å; Q526-K565 HydrophobicContact CG-CG 4.43Å; Q526-F566 HydrophobicContact CB-CD2 3.86Å; Q526-F566 HydrophobicContact CB-CE2 3.85Å
527D84.6Confident91.3Very high108 Ų10835.2 Ų35.258%0.57821%0.206SC*.THydrogen-bonded Turntrans-91.6-3174.7-64.8-71.9000114.6M525 A529 K565M525-D527 PolarHBondContact O-N 2.83Å; D527-A529 PolarHBondContact O-N 3.31Å; D527-K565 WeakPolarHBondContact OD1-CE 3.47Å; D527-K565 IonicContact OD1-NZ 3.69Å; D527-K565 PolarHBondContact OD1-NZ 2.84Å; D527-K565 IonicContact OD2-NZ 3.28Å; D527-K565 PolarHBondContact OD2-NZ 2.89Å
528N88.4Confident91.2Very high66 Ų6635.3 Ų35.335%0.35321%0.206SC..  trans-81.482-178.8-168.9-51.4000110.9M525 P530 L531 M532M525-N528 WeakPolarHBondContact O-CB 3.37Å; M525-N528 PolarHBondContact O-N 3.5Å; N528-P530 WeakPolarHBondContact OD1-CD 3.37Å; N528-L531 HydrophobicContact CB-CB 4.28Å; N528-L531 HydrophobicContact CB-CD1 4.35Å; N528-L531 PolarHBondContact O-N 3.03Å; N528-L531 WeakPolarHBondContact OD1-CB 3.03Å; N528-L531 VanDerWaalsContact OD1-CG 3.32Å; N528-L531 WeakPolarHBondContact OD1-CG 3.38Å; N528-L531 PolarHBondContact OD1-N 2.79Å; N528-L531 VanDerWaalsContact OD1-N 3.17Å; N528-M532 WeakPolarHBondContact O-CG 3.36Å; N528-M532 PolarHBondContact O-N 3.23Å
529A86.3Confident91Very high57 Ų5735.3 Ų35.347%0.47121%0.206SC..Hα-helixtrans-49.4-48.2-175.100000114.2D527 L531 M532 T533D527-A529 PolarHBondContact O-N 3.31Å; A529-L531 PolarHBondContact O-N 3.07Å; A529-M532 PolarHBondContact O-N 3.13Å; A529-M532 VanDerWaalsContact O-N 3.11Å; A529-T533 PolarHBondContact O-N 3.08Å; A529-T533 PolarHBondContact O-OG1 3.13Å
530P88.2Confident90.8Very high102 Ų10237.1 Ų37.166%0.66222%0.217SC*.Hα-helixtrans-56.9-43.2176.6-26.735.4000114.3N528 A534N528-P530 WeakPolarHBondContact OD1-CD 3.37Å; P530-A534 PolarHBondContact O-N 3.37Å; P530-A534 VanDerWaalsContact O-N 3.15Å
531L86.8Confident90.5Very high47 Ų4740.6 Ų40.625%0.24624%0.238CC..Hα-helixtrans-72-32.7176.8-66.5179.6000112R524 N528 A529 A534 L535R524-L531 HydrophobicContact CB-CB 3.76Å; R524-L531 HydrophobicContact CB-CD1 3.83Å; R524-L531 HydrophobicContact CB-CG 4.44Å; R524-L531 WeakPolarHBondContact CD-O 3.43Å; R524-L531 HydrophobicContact CG-CB 4.46Å; R524-L531 PolarHBondContact NH1-O 3Å; N528-L531 HydrophobicContact CB-CB 4.28Å; N528-L531 HydrophobicContact CB-CD1 4.35Å; N528-L531 PolarHBondContact O-N 3.03Å; N528-L531 WeakPolarHBondContact OD1-CB 3.03Å; N528-L531 VanDerWaalsContact OD1-CG 3.32Å; N528-L531 WeakPolarHBondContact OD1-CG 3.38Å; N528-L531 PolarHBondContact OD1-N 2.79Å; N528-L531 VanDerWaalsContact OD1-N 3.17Å; A529-L531 PolarHBondContact O-N 3.07Å; L531-A534 PolarHBondContact O-N 3.18Å; L531-L535 PolarHBondContact O-N 2.96Å
532M91.2Very high90.5Very high4 Ų441.3 Ų41.32%0.0224%0.242CC..Hα-helixtrans-71.3-41176.9-67.4-53-64.600112.1R524 N528 A529 A534 L535 A536 F566 A569R524-M532 HydrophobicContact CG-SD 3.73Å; N528-M532 WeakPolarHBondContact O-CG 3.36Å; N528-M532 PolarHBondContact O-N 3.23Å; A529-M532 PolarHBondContact O-N 3.13Å; A529-M532 VanDerWaalsContact O-N 3.11Å; M532-A534 VanDerWaalsContact C-N 3.31Å; M532-A534 PolarHBondContact O-N 3.29Å; M532-L535 HydrophobicContact CE-CD2 4.23Å; M532-L535 PolarHBondContact O-N 3.09Å; M532-A536 PolarHBondContact O-N 3.18Å; M532-F566 HydrophobicContact CE-CB 4.28Å; M532-F566 HydrophobicContact CE-CD1 3.85Å; M532-F566 HydrophobicContact CE-CD2 3.82Å; M532-F566 HydrophobicContact CE-CE1 4.08Å; M532-F566 HydrophobicContact CE-CE2 4.07Å; M532-F566 HydrophobicContact CE-CG 3.71Å; M532-F566 HydrophobicContact CE-CZ 4.19Å; M532-F566 HydrophobicContact SD-CD2 4.39Å; M532-F566 HydrophobicContact SD-CE1 4.32Å; M532-F566 HydrophobicContact SD-CE2 4.05Å; M532-F566 HydrophobicContact SD-CZ 4.01Å; M532-A569 HydrophobicContact CB-CB 3.9Å; M532-A569 HydrophobicContact CE-CB 3.68Å; M532-A569 HydrophobicContact CG-CB 4.49Å
533T90.8Very high90.6Very high63 Ų6345.4 Ų45.439%0.38727%0.266SS..Hα-helixtrans-57.7-42.8169-51.50000111.3A529 L535 A536 K537 H573A529-T533 PolarHBondContact O-N 3.08Å; A529-T533 PolarHBondContact O-OG1 3.13Å; T533-L535 PolarHBondContact O-N 2.87Å; T533-A536 PolarHBondContact O-N 3.17Å; T533-K537 WeakPolarHBondContact O-CB 3.34Å; T533-K537 PolarHBondContact O-N 2.85Å; T533-H573 PolarHBondContact OG1-NE2 2.93Å
534A90.8Very high90.9Very high41 Ų4144.8 Ų44.834%0.33926%0.26SS..Hα-helixtrans-65.3-34.4177.100000113.4P530 L531 M532 L538P530-A534 PolarHBondContact O-N 3.37Å; P530-A534 VanDerWaalsContact O-N 3.15Å; L531-A534 PolarHBondContact O-N 3.18Å; M532-A534 VanDerWaalsContact C-N 3.31Å; M532-A534 PolarHBondContact O-N 3.29Å; A534-L538 PolarHBondContact O-N 3.44Å; A534-L538 VanDerWaalsContact O-N 3.1Å
535L93.7Very high91.4Very high0 Ų046.2 Ų46.20%027%0.269CS..Hα-helixtrans-69.4-45.6174.1177.661.6000111.5C424 T521 L531 M532 T533 K537 L538 I539 F566 L570C424-L535 HydrophobicContact CB-CD1 3.96Å; C424-L535 HydrophobicContact CB-CD2 3.83Å; T521-L535 HydrophobicContact CG2-CD1 4.28Å; L531-L535 PolarHBondContact O-N 2.96Å; M532-L535 HydrophobicContact CE-CD2 4.23Å; M532-L535 PolarHBondContact O-N 3.09Å; T533-L535 PolarHBondContact O-N 2.87Å; L535-K537 VanDerWaalsContact C-N 3.34Å; L535-K537 PolarHBondContact O-N 2.89Å; L535-L538 WeakPolarHBondContact O-CB 3.41Å; L535-L538 PolarHBondContact O-N 2.75Å; L535-I539 HydrophobicContact CD1-CD1 3.88Å; L535-I539 HydrophobicContact CG-CD1 4.12Å; L535-I539 PolarHBondContact O-N 3.17Å; L535-F566 HydrophobicContact CD2-CD1 3.94Å; L535-F566 HydrophobicContact CD2-CE1 3.66Å; L535-L570 HydrophobicContact CG-CD2 4.34Å
536A93.1Very high91.8Very high0 Ų041.4 Ų41.40%025%0.245CC..Hα-helixtrans-64.3-38.5177.800000111.9M532 T533 I539 T540 A569 L570 H573M532-A536 PolarHBondContact O-N 3.18Å; T533-A536 PolarHBondContact O-N 3.17Å; A536-I539 PolarHBondContact O-N 3.28Å; A536-T540 WeakPolarHBondContact O-CB 3.45Å; A536-T540 PolarHBondContact O-N 3.3Å; A536-T540 PolarHBondContact O-OG1 2.93Å; A536-A569 WeakPolarHBondContact CB-O 3.41Å; A536-L570 HydrophobicContact CB-CD2 4.06Å; A536-H573 HydrophobicContact CB-CB 3.53Å
537K92.4Very high92.5Very high97 Ų9740.5 Ų40.542%0.42224%0.241SC..Hα-helixtrans-56.9-50.6169.1-177.1-165.2176.2-1690111D497 A499 T533 L535 I539 T540 V541D497-K537 IonicContact OD2-NZ 2.71Å; D497-K537 PolarHBondContact OD2-NZ 3.02Å; A499-K537 HydrophobicContact CB-CD 4.21Å; A499-K537 HydrophobicContact CB-CG 4.35Å; T533-K537 WeakPolarHBondContact O-CB 3.34Å; T533-K537 PolarHBondContact O-N 2.85Å; L535-K537 VanDerWaalsContact C-N 3.34Å; L535-K537 PolarHBondContact O-N 2.89Å; K537-I539 PolarHBondContact O-N 3.31Å; K537-T540 PolarHBondContact O-N 3.21Å; K537-V541 HydrophobicContact CG-CG2 4.1Å; K537-V541 VanDerWaalsContact O-CB 3.27Å; K537-V541 WeakPolarHBondContact O-CB 3.44Å; K537-V541 VanDerWaalsContact O-CG2 3.26Å; K537-V541 WeakPolarHBondContact O-CG2 3.16Å; K537-V541 PolarHBondContact O-N 2.78Å
538L95.1Very high93.1Very high1 Ų135.3 Ų35.31%0.00521%0.213CC..Hα-helixtrans-56.5-48.3180-178.3157.9000111.5T422 C454 A498 A499 A502 V519 T521 A534 L535 N542T422-L538 HydrophobicContact CG2-CD2 3.88Å; C454-L538 HydrophobicContact CB-CD1 4.44Å; A498-L538 HydrophobicContact CB-CD1 3.82Å; A499-L538 HydrophobicContact CB-CB 4.06Å; A502-L538 HydrophobicContact CB-CG 4.38Å; V519-L538 HydrophobicContact CG1-CD2 4.49Å; T521-L538 HydrophobicContact CG2-CD1 3.99Å; T521-L538 HydrophobicContact CG2-CD2 4.36Å; A534-L538 PolarHBondContact O-N 3.44Å; A534-L538 VanDerWaalsContact O-N 3.1Å; L535-L538 WeakPolarHBondContact O-CB 3.41Å; L535-L538 PolarHBondContact O-N 2.75Å; L538-N542 VanDerWaalsContact O-CB 3.32Å; L538-N542 WeakPolarHBondContact O-CB 3.44Å; L538-N542 PolarHBondContact O-N 2.85Å; L538-N542 VanDerWaalsContact O-N 3.13Å; L538-N542 PolarHBondContact O-ND2 2.81Å
539I95.6Very high93.5Very high0 Ų032.2 Ų32.20%020%0.196CC..Hα-helixtrans-70.4-40.3-179-73.5165.3000111.8T422 L535 A536 K537 T543 P544 V547 L570 R580T422-I539 HydrophobicContact CG2-CD1 4.18Å; T422-I539 HydrophobicContact CG2-CG1 3.96Å; L535-I539 HydrophobicContact CD1-CD1 3.88Å; L535-I539 HydrophobicContact CG-CD1 4.12Å; L535-I539 PolarHBondContact O-N 3.17Å; A536-I539 PolarHBondContact O-N 3.28Å; K537-I539 PolarHBondContact O-N 3.31Å; I539-T543 WeakPolarHBondContact O-CA 3.32Å; I539-T543 PolarHBondContact O-N 3.47Å; I539-P544 HydrophobicContact CG1-CG 4.42Å; I539-P544 HydrophobicContact CG2-CG 4.23Å; I539-P544 WeakPolarHBondContact O-CD 3.42Å; I539-V547 HydrophobicContact CD1-CG1 3.88Å; I539-V547 HydrophobicContact CD1-CG2 4.2Å; I539-V547 HydrophobicContact CG1-CG2 4.35Å; I539-V547 HydrophobicContact CG2-CG2 3.93Å; I539-L570 HydrophobicContact CB-CD2 4.42Å; I539-L570 HydrophobicContact CD1-CD1 4.23Å; I539-L570 HydrophobicContact CD1-CD2 3.67Å; I539-R580 HydrophobicContact CG2-CB 3.81Å
540T93.7Very high94Very high40 Ų4029.5 Ų29.525%0.24517%0.174CC..Hα-helixtrans-69.2-40-179.8-55.60000112A536 K537 T543A536-T540 WeakPolarHBondContact O-CB 3.45Å; A536-T540 PolarHBondContact O-N 3.3Å; A536-T540 PolarHBondContact O-OG1 2.93Å; K537-T540 PolarHBondContact O-N 3.21Å; T540-T543 WeakPolarHBondContact O-CG2 3.39Å
541V92.9Very high94.3Very high72 Ų7224.6 Ų24.644%0.43614%0.142SC..Hα-helixtrans-76.4-36.4-178.1171.20000112.4M503 K537M503-V541 HydrophobicContact CE-CG1 3.34Å; K537-V541 HydrophobicContact CG-CG2 4.1Å; K537-V541 VanDerWaalsContact O-CB 3.27Å; K537-V541 WeakPolarHBondContact O-CB 3.44Å; K537-V541 VanDerWaalsContact O-CG2 3.26Å; K537-V541 WeakPolarHBondContact O-CG2 3.16Å; K537-V541 PolarHBondContact O-N 2.78Å
542N95.6Very high94.6Very high15 Ų1524.1 Ų24.18%0.0814%0.139CC..Hα-helixtrans-96.1-9.5-176.3-65.9-77.3000114A499 M503 I506 L538A499-N542 PolarHBondContact O-ND2 3.09Å; M503-N542 WeakPolarHBondContact CA-OD1 3.48Å; M503-N542 WeakPolarHBondContact CB-OD1 3.35Å; M503-N542 PolarHBondContact N-OD1 3.07Å; I506-N542 HydrophobicContact CD1-CB 3.88Å; L538-N542 VanDerWaalsContact O-CB 3.32Å; L538-N542 WeakPolarHBondContact O-CB 3.44Å; L538-N542 PolarHBondContact O-N 2.85Å; L538-N542 VanDerWaalsContact O-N 3.13Å; L538-N542 PolarHBondContact O-ND2 2.81Å
543T95.4Very high94.6Very high94 Ų9423.9 Ų23.958%0.57714%0.138SC*.  trans41.956.1176.960.40000113.9I539 T540I539-T543 WeakPolarHBondContact O-CA 3.32Å; I539-T543 PolarHBondContact O-N 3.47Å; T540-T543 WeakPolarHBondContact O-CG2 3.39Å
544P97.1Very high94.4Very high0 Ų025 Ų250%014%0.14CC..  trans-60.1146.7-17427.8-36.3000111.4V420 T422 I539 L546 V547 R580V420-P544 HydrophobicContact CB-CB 4.25Å; V420-P544 HydrophobicContact CG1-CB 3.87Å; V420-P544 CarbonylContact O-C 3.52Å; T422-P544 WeakPolarHBondContact OG1-CB 3.45Å; I539-P544 HydrophobicContact CG1-CG 4.42Å; I539-P544 HydrophobicContact CG2-CG 4.23Å; I539-P544 WeakPolarHBondContact O-CD 3.42Å; P544-L546 VanDerWaalsContact C-N 3.29Å; P544-L546 PolarHBondContact O-N 3.23Å; P544-V547 HydrophobicContact CG-CG2 3.77Å; P544-R580 PolarHBondContact O-NH1 3.12Å; P544-R580 PolarHBondContact O-NH2 3.1Å; P544-R580 VanDerWaalsContact O-NH2 3.13Å
545D96.8Very high94.1Very high43 Ų4324.1 Ų24.123%0.2313%0.131CC..SBendtrans-63.6-36.9177.8-59.8-81.6000111.2Y419 V420 R580Y419-D545 HydrophobicContact CD2-CB 3.53Å; Y419-D545 HydrophobicContact CE2-CB 3.35Å; Y419-D545 HydrophobicContact CG-CB 4.29Å; V420-D545 PolarHBondContact N-OD2 2.61Å; V420-D545 PolarHBondContact O-N 3.35Å; D545-R580 PolarHBondContact O-NH2 3.48Å
546L96.9Very high93.3Very high0 Ų024.6 Ų24.60%014%0.136CC..EExtended strand (participates in β ladder)trans-135.2125.4178.6-165.375.4000113V403 M405 Y419 V420 V421 T422 P544 L548 D583V403-L546 HydrophobicContact CG1-CD1 3.96Å; V403-L546 HydrophobicContact CG1-CD2 4.15Å; V403-L546 HydrophobicContact CG2-CD1 4.37Å; M405-L546 HydrophobicContact CE-CD2 3.45Å; M405-L546 VanDerWaalsContact CE-CD2 3.45Å; Y419-L546 HydrophobicContact CE1-CB 4.35Å; V420-L546 PolarHBondContact O-N 3.02Å; V420-L546 VanDerWaalsContact O-N 3.11Å; V421-L546 WeakPolarHBondContact CA-O 3.31Å; V421-L546 HydrophobicContact CG1-CB 4.39Å; V421-L546 HydrophobicContact CG1-CD2 4.33Å; V421-L546 HydrophobicContact CG2-CB 4.4Å; T422-L546 PolarHBondContact N-O 3.28Å; P544-L546 VanDerWaalsContact C-N 3.29Å; P544-L546 PolarHBondContact O-N 3.23Å; L546-L548 HydrophobicContact CD2-CD1 4.11Å; L546-L548 HydrophobicContact CD2-CD2 3.78Å; L546-L548 HydrophobicContact CD2-CG 3.83Å; L546-L548 HydrophobicContact CG-CD2 4.19Å; L546-L548 HydrophobicContact CG-CG 4.2Å; L546-D583 HydrophobicContact CD1-CB 3.53Å; L546-D583 HydrophobicContact CG-CB 4.28Å
547V97.3Very high92.7Very high0 Ų029.3 Ų29.30%016%0.161CC..EExtended strand (participates in β ladder)trans-98.6114.3168.9-178.60000109.9I539 P544 L570 I582 D583 G584I539-V547 HydrophobicContact CD1-CG1 3.88Å; I539-V547 HydrophobicContact CD1-CG2 4.2Å; I539-V547 HydrophobicContact CG1-CG2 4.35Å; I539-V547 HydrophobicContact CG2-CG2 3.93Å; P544-V547 HydrophobicContact CG-CG2 3.77Å; V547-L570 HydrophobicContact CG1-CD1 4.5Å; V547-I582 HydrophobicContact CG1-CG1 4.12Å; V547-D583 PolarHBondContact N-OD2 2.77Å; V547-D583 PolarHBondContact O-N 3.24Å; V547-G584 PolarHBondContact O-N 3.05Å
548L97.3Very high92.3Very high0 Ų029.8 Ų29.80%017%0.165CC..EExtended strand (participates in β ladder)trans-102.5121.3176.7-70.6179.5000111.3M405 V421 T422 F423 C424 L546 G584 V586 V612M405-L548 HydrophobicContact CE-CD1 4.14Å; V421-L548 HydrophobicContact CG1-CD1 3.67Å; V421-L548 HydrophobicContact CG1-CG 4Å; T422-L548 PolarHBondContact O-N 3.35Å; F423-L548 HydrophobicContact CD1-CB 4.23Å; F423-L548 HydrophobicContact CD1-CD1 4.37Å; F423-L548 HydrophobicContact CE1-CB 4.35Å; F423-L548 HydrophobicContact CE1-CD1 3.67Å; F423-L548 HydrophobicContact CZ-CD1 3.95Å; C424-L548 PolarHBondContact N-O 2.9Å; L546-L548 HydrophobicContact CD2-CD1 4.11Å; L546-L548 HydrophobicContact CD2-CD2 3.78Å; L546-L548 HydrophobicContact CD2-CG 3.83Å; L546-L548 HydrophobicContact CG-CD2 4.19Å; L546-L548 HydrophobicContact CG-CG 4.2Å; L548-G584 WeakPolarHBondContact CA-O 3.35Å; L548-V586 HydrophobicContact CB-CG2 4.31Å; L548-V586 HydrophobicContact CD1-CG2 3.93Å; L548-V586 HydrophobicContact CD2-CG2 4.39Å; L548-V586 HydrophobicContact CG-CG2 4.45Å; L548-V612 HydrophobicContact CD2-CB 4.31Å; L548-V612 HydrophobicContact CD2-CG2 3.9Å
549F96.6Very high91.7Very high0 Ų029.8 Ų29.80%017%0.165CC..EExtended strand (participates in β ladder)trans-86.1123.6167.3180-90.4000110C424 Q562 L563 F566 I582 G584 I585 V586C424-F549 CarbonylContact O-C 3.55Å; C424-F549 WeakPolarHBondContact O-CA 3.48Å; F549-Q562 HydrophobicContact CZ-CB 4.02Å; F549-L563 HydrophobicContact CB-CD2 3.98Å; F549-L563 HydrophobicContact CD1-CD2 3.4Å; F549-L563 HydrophobicContact CD1-CG 4.05Å; F549-L563 HydrophobicContact CD2-CD2 3.85Å; F549-L563 HydrophobicContact CE1-CD1 4.46Å; F549-L563 HydrophobicContact CE1-CD2 3.74Å; F549-L563 HydrophobicContact CE1-CG 3.89Å; F549-L563 HydrophobicContact CE2-CD2 4.15Å; F549-L563 HydrophobicContact CG-CD2 3.45Å; F549-L563 VanDerWaalsContact CG-CD2 3.45Å; F549-L563 HydrophobicContact CG-CG 4.47Å; F549-L563 HydrophobicContact CZ-CD2 4.1Å; F549-L563 HydrophobicContact CZ-CG 4.18Å; F549-F566 HydrophobicContact CD2-CD1 4Å; F549-F566 HydrophobicContact CD2-CE1 4.45Å; F549-F566 HydrophobicContact CD2-CG 4.21Å; F549-F566 HydrophobicContact CE2-CB 4.45Å; F549-F566 HydrophobicContact CE2-CD1 4.01Å; F549-F566 HydrophobicContact CE2-CD2 4.12Å; F549-F566 HydrophobicContact CE2-CE1 4.28Å; F549-F566 HydrophobicContact CE2-CE2 4.37Å; F549-F566 AromaticContact CE2-CG 3.93Å; F549-F566 HydrophobicContact CE2-CG 3.93Å; F549-F566 HydrophobicContact CE2-CZ 4.45Å; F549-I582 HydrophobicContact CB-CD1 3.76Å; F549-I582 HydrophobicContact CB-CG1 4.08Å; F549-I582 HydrophobicContact CB-CG2 3.73Å; F549-I582 HydrophobicContact CD2-CD1 3.84Å; F549-I582 HydrophobicContact CG-CD1 4.09Å; F549-G584 PolarHBondContact N-O 3.21Å; F549-I585 CarbonylContact O-C 3.51Å; F549-I585 VanDerWaalsContact O-CA 3.32Å; F549-I585 WeakPolarHBondContact O-CA 3.39Å; F549-V586 PolarHBondContact O-N 3.17Å
550V96.8Very high91.1Very high0 Ų031.6 Ų31.60%018%0.176CC..EExtended strand (participates in β ladder)trans-96.7115.4175-170.20000108.4F423 C424 V429 K431 V586 T588F423-V550 HydrophobicContact CB-CG2 4.42Å; F423-V550 HydrophobicContact CD1-CG2 3.88Å; C424-V550 PolarHBondContact O-N 2.83Å; V429-V550 HydrophobicContact CB-CG1 4.47Å; V429-V550 HydrophobicContact CG2-CB 4.19Å; V429-V550 HydrophobicContact CG2-CG1 4.03Å; V429-V550 WeakPolarHBondContact CG2-O 3.35Å; K431-V550 HydrophobicContact CG-CB 3.79Å; K431-V550 HydrophobicContact CG-CG1 4.27Å; K431-V550 HydrophobicContact CG-CG2 3.81Å; V550-V586 WeakPolarHBondContact CA-O 3.37Å; V550-V586 HydrophobicContact CG1-CB 4.48Å; V550-V586 HydrophobicContact CG2-CB 4.25Å; V550-T588 HydrophobicContact CG1-CG2 3.48Å; V550-T588 VanDerWaalsContact CG1-CG2 3.48Å
551G94.2Very high90.9Very high0 Ų032 Ų320%018%0.176CC..EExtended strand (participates in β ladder)trans-124.4157.1175.300000110.5V586 L587 T588G551-V586 PolarHBondContact N-O 3.5Å; G551-L587 CarbonylContact O-C 3.43Å; G551-L587 WeakPolarHBondContact O-CA 3.41Å; G551-T588 PolarHBondContact O-N 2.86Å; G551-T588 PolarHBondContact O-OG1 2.77Å
552E92.9Very high90.8Very high36 Ų3629.2 Ų29.217%0.16816%0.159CC..EExtended strand (participates in β ladder)trans-104.1142.3179.468-167.3174.200111.8V429 L554 V555 T588 K589V429-E552 HydrophobicContact CB-CB 4.46Å; V429-E552 HydrophobicContact CG1-CB 4.25Å; V429-E552 HydrophobicContact CG1-CG 4.12Å; E552-L554 HydrophobicContact CG-CB 4.44Å; E552-L554 PolarHBondContact O-N 3.12Å; E552-V555 HydrophobicContact CG-CB 4.29Å; E552-V555 HydrophobicContact CG-CG2 3.53Å; E552-V555 PolarHBondContact O-N 3.21Å; E552-V555 VanDerWaalsContact O-N 3.17Å; E552-V555 WeakPolarHBondContact OE1-CG2 3.46Å; E552-T588 CarbonylContact C-O 3.58Å; E552-T588 WeakPolarHBondContact CA-O 3.28Å; E552-K589 HydrophobicContact CB-CD 4.12Å; E552-K589 HydrophobicContact CB-CG 4.41Å; E552-K589 WeakPolarHBondContact OE2-CD 3.37Å; E552-K589 VanDerWaalsContact OE2-CE 3.28Å; E552-K589 WeakPolarHBondContact OE2-CE 3.2Å; E552-K589 IonicContact OE2-NZ 2.78Å; E552-K589 PolarHBondContact OE2-NZ 3.15Å
553A91.2Very high90.5Very high0 Ų028.5 Ų28.50%016%0.155CC..THydrogen-bonded Turntrans-69.7-19.5-173.700000113.8N353 V555 L587 T588 F590 I593 A599N353-A553 PolarHBondContact ND2-O 2.9Å; A553-V555 PolarHBondContact O-N 3.18Å; A553-L587 HydrophobicContact CB-CD1 3.97Å; A553-L587 HydrophobicContact CB-CD2 4.31Å; A553-L587 HydrophobicContact CB-CG 4.03Å; A553-T588 PolarHBondContact N-O 3.33Å; A553-F590 HydrophobicContact CB-CD2 4.18Å; A553-I593 HydrophobicContact CB-CD1 3.69Å; A553-I593 HydrophobicContact CB-CG1 4.06Å; A553-I593 HydrophobicContact CB-CG2 4.04Å; A553-A599 WeakPolarHBondContact O-CB 3.17Å
554L86.4Confident90.2Very high85 Ų8526.5 Ų26.545%0.44514%0.142SC..THydrogen-bonded Turntrans-61.9-24.6172.4-72.2161.8000112.7N353 E552 G556 K589 T592 I593N353-L554 PolarHBondContact ND2-O 3.14Å; E552-L554 HydrophobicContact CG-CB 4.44Å; E552-L554 PolarHBondContact O-N 3.12Å; L554-G556 PolarHBondContact O-N 3.01Å; L554-K589 HydrophobicContact CD1-CB 4.46Å; L554-K589 HydrophobicContact CD1-CD 4.02Å; L554-T592 WeakPolarHBondContact CD1-OG1 3.46Å; L554-T592 WeakPolarHBondContact CG-OG1 3.28Å; L554-I593 HydrophobicContact CB-CG2 4.49Å; L554-I593 HydrophobicContact CD2-CG2 3.83Å; L554-I593 HydrophobicContact CG-CG2 3.97Å
555V85.1Confident90Very high23 Ų2328.6 Ų28.614%0.13915%0.151CC..  trans-87.5113.7-171.9173.90000111.7E552 A553 E558 A559 A599E552-V555 HydrophobicContact CG-CB 4.29Å; E552-V555 HydrophobicContact CG-CG2 3.53Å; E552-V555 PolarHBondContact O-N 3.21Å; E552-V555 VanDerWaalsContact O-N 3.17Å; E552-V555 WeakPolarHBondContact OE1-CG2 3.46Å; A553-V555 PolarHBondContact O-N 3.18Å; V555-E558 HydrophobicContact CG1-CB 3.63Å; V555-A559 HydrophobicContact CG1-CB 3.94Å; V555-A559 VanDerWaalsContact CG1-N 3.26Å; V555-A599 VanDerWaalsContact O-CB 3.26Å; V555-A599 WeakPolarHBondContact O-CB 3.46Å
556G76.1Confident89.8Confident10 Ų1026.5 Ų26.510%0.10314%0.14CC..SBendtrans-79.1-112.5169.400000112.8N353 L554 E558 A559N353-G556 WeakPolarHBondContact OD1-CA 3.21Å; N353-G556 PolarHBondContact OD1-N 2.76Å; L554-G556 PolarHBondContact O-N 3.01Å; G556-E558 VanDerWaalsContact C-N 3.29Å; G556-E558 PolarHBondContact O-N 3.19Å; G556-E558 VanDerWaalsContact O-N 3.11Å; G556-A559 VanDerWaalsContact O-CB 3.27Å; G556-A559 WeakPolarHBondContact O-CB 3.23Å; G556-A559 PolarHBondContact O-N 2.89Å
557N80.7Confident89.6Confident99 Ų9927.7 Ų27.753%0.52915%0.146SC..THydrogen-bonded Turntrans-50.3-39.3-173.1-69.8-25000114.7A355 A356 A559 V560A355-N557 WeakPolarHBondContact CA-OD1 3.47Å; A355-N557 WeakPolarHBondContact CB-OD1 3.2Å; A356-N557 PolarHBondContact N-OD1 2.85Å; N557-A559 PolarHBondContact O-N 2.97Å; N557-A559 VanDerWaalsContact O-N 3.13Å; N557-V560 WeakPolarHBondContact O-CB 3.35Å; N557-V560 WeakPolarHBondContact O-CG2 3.45Å; N557-V560 PolarHBondContact O-N 3.48Å; N557-V560 VanDerWaalsContact O-N 3.1Å
558E85Confident89.3Confident108 Ų10834.2 Ų34.251%0.50517%0.171SC..Hα-helixtrans-63.6-19.5-179.2-65.7-68.5121.200113.7V555 G556 V560 D561 Q562V555-E558 HydrophobicContact CG1-CB 3.63Å; G556-E558 VanDerWaalsContact C-N 3.29Å; G556-E558 PolarHBondContact O-N 3.19Å; G556-E558 VanDerWaalsContact O-N 3.11Å; E558-V560 PolarHBondContact O-N 3.17Å; E558-D561 PolarHBondContact O-N 3.07Å; E558-Q562 WeakPolarHBondContact O-CB 3.19Å; E558-Q562 WeakPolarHBondContact O-CG 3.41Å; E558-Q562 PolarHBondContact O-N 3.46Å
559A82.8Confident89Confident0 Ų034.7 Ų34.70%018%0.175CC..Hα-helixtrans-64.1-32.3175.900000111.6V555 G556 N557 L563 M603V555-A559 HydrophobicContact CG1-CB 3.94Å; V555-A559 VanDerWaalsContact CG1-N 3.26Å; G556-A559 VanDerWaalsContact O-CB 3.27Å; G556-A559 WeakPolarHBondContact O-CB 3.23Å; G556-A559 PolarHBondContact O-N 2.89Å; N557-A559 PolarHBondContact O-N 2.97Å; N557-A559 VanDerWaalsContact O-N 3.13Å; A559-L563 WeakPolarHBondContact O-CB 2.97Å; A559-L563 PolarHBondContact O-N 3.22Å; A559-M603 HydrophobicContact CB-CE 3.64Å; A559-M603 HydrophobicContact CB-CG 3.86Å
560V82.9Confident88.8Confident39 Ų3934.8 Ų34.824%0.23618%0.176CC..Hα-helixtrans-60.5-57.8173.1175.30000109.6A355 I358 N557 E558 L563 V564 I606A355-V560 HydrophobicContact CB-CG2 3.54Å; I358-V560 HydrophobicContact CG1-CG2 4.48Å; N557-V560 WeakPolarHBondContact O-CB 3.35Å; N557-V560 WeakPolarHBondContact O-CG2 3.45Å; N557-V560 PolarHBondContact O-N 3.48Å; N557-V560 VanDerWaalsContact O-N 3.1Å; E558-V560 PolarHBondContact O-N 3.17Å; V560-L563 PolarHBondContact O-N 2.74Å; V560-V564 WeakPolarHBondContact O-CB 3.37Å; V560-V564 VanDerWaalsContact O-CG2 3.27Å; V560-V564 WeakPolarHBondContact O-CG2 3.32Å; V560-V564 PolarHBondContact O-N 3.13Å; V560-I606 HydrophobicContact CB-CD1 3.69Å; V560-I606 HydrophobicContact CG1-CD1 3.53Å; V560-I606 HydrophobicContact CG2-CD1 3.58Å
561D88.5Confident88.6Confident47 Ų4736.5 Ų36.525%0.25119%0.19SC..Hα-helixtrans-64-45.9-174.2-177.968.8000112Q526 E558 L563 V564 K565Q526-D561 VanDerWaalsContact CG-OD2 3.29Å; Q526-D561 WeakPolarHBondContact CG-OD2 3.45Å; Q526-D561 PolarHBondContact NE2-OD2 3.38Å; E558-D561 PolarHBondContact O-N 3.07Å; D561-L563 PolarHBondContact O-N 3.13Å; D561-V564 PolarHBondContact O-N 3.4Å; D561-K565 WeakPolarHBondContact O-CB 3.4Å; D561-K565 PolarHBondContact O-N 3.09Å; D561-K565 WeakPolarHBondContact OD1-CD 3.37Å; D561-K565 WeakPolarHBondContact OD1-CE 3.39Å; D561-K565 IonicContact OD1-NZ 3.26Å; D561-K565 PolarHBondContact OD1-NZ 3.09Å; D561-K565 WeakPolarHBondContact OD2-CD 3.25Å; D561-K565 WeakPolarHBondContact OD2-CE 3.19Å; D561-K565 IonicContact OD2-NZ 2.66Å; D561-K565 PolarHBondContact OD2-NZ 3.49Å
562Q90.6Very high88.4Confident15 Ų1541.8 Ų41.87%0.0722%0.218CC..Hα-helixtrans-56-52.4176.3-71172.23400111.6V426 Q526 F549 E558 F566V426-Q562 HydrophobicContact CG1-CG 3.85Å; Q526-Q562 HydrophobicContact CG-CG 4.3Å; F549-Q562 HydrophobicContact CZ-CB 4.02Å; E558-Q562 WeakPolarHBondContact O-CB 3.19Å; E558-Q562 WeakPolarHBondContact O-CG 3.41Å; E558-Q562 PolarHBondContact O-N 3.46Å; Q562-F566 VanDerWaalsContact O-CB 3.29Å; Q562-F566 WeakPolarHBondContact O-CB 3.46Å; Q562-F566 VanDerWaalsContact O-CD2 3.24Å; Q562-F566 WeakPolarHBondContact O-CD2 3.44Å; Q562-F566 PolarHBondContact O-N 3.23Å
563L89.5Confident88.1Confident0 Ų043.8 Ų43.80%023%0.227CC..Hα-helixtrans-69.1-35.1-177.6-80.3168000113.1F549 A559 V560 D561 N567 I582 M603 T607F549-L563 HydrophobicContact CB-CD2 3.98Å; F549-L563 HydrophobicContact CD1-CD2 3.4Å; F549-L563 HydrophobicContact CD1-CG 4.05Å; F549-L563 HydrophobicContact CD2-CD2 3.85Å; F549-L563 HydrophobicContact CE1-CD1 4.46Å; F549-L563 HydrophobicContact CE1-CD2 3.74Å; F549-L563 HydrophobicContact CE1-CG 3.89Å; F549-L563 HydrophobicContact CE2-CD2 4.15Å; F549-L563 HydrophobicContact CG-CD2 3.45Å; F549-L563 VanDerWaalsContact CG-CD2 3.45Å; F549-L563 HydrophobicContact CG-CG 4.47Å; F549-L563 HydrophobicContact CZ-CD2 4.1Å; F549-L563 HydrophobicContact CZ-CG 4.18Å; A559-L563 WeakPolarHBondContact O-CB 2.97Å; A559-L563 PolarHBondContact O-N 3.22Å; V560-L563 PolarHBondContact O-N 2.74Å; D561-L563 PolarHBondContact O-N 3.13Å; L563-N567 WeakPolarHBondContact O-CB 3.44Å; L563-N567 PolarHBondContact O-N 3.3Å; L563-N567 VanDerWaalsContact O-N 3.12Å; L563-N567 PolarHBondContact O-ND2 3.03Å; L563-I582 HydrophobicContact CD2-CD1 3.97Å; L563-M603 HydrophobicContact CD1-CB 3.54Å; L563-M603 HydrophobicContact CD1-CG 3.56Å; L563-M603 HydrophobicContact CD1-SD 4.35Å; L563-T607 HydrophobicContact CB-CG2 3.83Å; L563-T607 HydrophobicContact CD1-CG2 3.81Å; L563-T607 HydrophobicContact CD2-CG2 3.99Å; L563-T607 HydrophobicContact CG-CG2 4.1Å
564V90.2Very high87.9Confident51 Ų5144.7 Ų44.731%0.30923%0.233SC..Hα-helixtrans-66.4-50.7175.2170.40000110.7V560 D561 N567 R568 I606V560-V564 WeakPolarHBondContact O-CB 3.37Å; V560-V564 VanDerWaalsContact O-CG2 3.27Å; V560-V564 WeakPolarHBondContact O-CG2 3.32Å; V560-V564 PolarHBondContact O-N 3.13Å; D561-V564 PolarHBondContact O-N 3.4Å; V564-N567 PolarHBondContact O-N 2.77Å; V564-R568 VanDerWaalsContact O-CB 3.29Å; V564-R568 WeakPolarHBondContact O-CB 3.39Å; V564-R568 PolarHBondContact O-N 3.45Å; V564-I606 HydrophobicContact CG2-CG2 3.77Å
565K91.9Very high87.7Confident44 Ų4449.6 Ų49.619%0.19126%0.257CS..Hα-helixtrans-68.4-37.1-179.2-76.4171.3179.9163.70112.7Q526 D527 D561 R568 A569Q526-K565 HydrophobicContact CB-CB 3.83Å; Q526-K565 HydrophobicContact CB-CD 4.03Å; Q526-K565 HydrophobicContact CG-CB 4.12Å; Q526-K565 HydrophobicContact CG-CD 3.45Å; Q526-K565 VanDerWaalsContact CG-CD 3.45Å; Q526-K565 HydrophobicContact CG-CG 4.43Å; D527-K565 WeakPolarHBondContact OD1-CE 3.47Å; D527-K565 IonicContact OD1-NZ 3.69Å; D527-K565 PolarHBondContact OD1-NZ 2.84Å; D527-K565 IonicContact OD2-NZ 3.28Å; D527-K565 PolarHBondContact OD2-NZ 2.89Å; D561-K565 WeakPolarHBondContact O-CB 3.4Å; D561-K565 PolarHBondContact O-N 3.09Å; D561-K565 WeakPolarHBondContact OD1-CD 3.37Å; D561-K565 WeakPolarHBondContact OD1-CE 3.39Å; D561-K565 IonicContact OD1-NZ 3.26Å; D561-K565 PolarHBondContact OD1-NZ 3.09Å; D561-K565 WeakPolarHBondContact OD2-CD 3.25Å; D561-K565 WeakPolarHBondContact OD2-CE 3.19Å; D561-K565 IonicContact OD2-NZ 2.66Å; D561-K565 PolarHBondContact OD2-NZ 3.49Å; K565-R568 PolarHBondContact O-N 3.4Å; K565-A569 WeakPolarHBondContact O-CB 3.32Å; K565-A569 PolarHBondContact O-N 3.25Å
566F93Very high87.5Confident0 Ų051 Ų510%027%0.271CS..Hα-helixtrans-62-51.6173.1-92.2-113.9000111.5C424 V426 R524 Q526 M532 L535 F549 Q562 R568 A569 L570 I582C424-F566 HydrophobicContact CB-CE1 4.25Å; V426-F566 HydrophobicContact CG1-CE2 4.02Å; V426-F566 HydrophobicContact CG1-CZ 4.39Å; R524-F566 HydrophobicContact CG-CZ 4.04Å; Q526-F566 HydrophobicContact CB-CD2 3.86Å; Q526-F566 HydrophobicContact CB-CE2 3.85Å; M532-F566 HydrophobicContact CE-CB 4.28Å; M532-F566 HydrophobicContact CE-CD1 3.85Å; M532-F566 HydrophobicContact CE-CD2 3.82Å; M532-F566 HydrophobicContact CE-CE1 4.08Å; M532-F566 HydrophobicContact CE-CE2 4.07Å; M532-F566 HydrophobicContact CE-CG 3.71Å; M532-F566 HydrophobicContact CE-CZ 4.19Å; M532-F566 HydrophobicContact SD-CD2 4.39Å; M532-F566 HydrophobicContact SD-CE1 4.32Å; M532-F566 HydrophobicContact SD-CE2 4.05Å; M532-F566 HydrophobicContact SD-CZ 4.01Å; L535-F566 HydrophobicContact CD2-CD1 3.94Å; L535-F566 HydrophobicContact CD2-CE1 3.66Å; F549-F566 HydrophobicContact CD2-CD1 4Å; F549-F566 HydrophobicContact CD2-CE1 4.45Å; F549-F566 HydrophobicContact CD2-CG 4.21Å; F549-F566 HydrophobicContact CE2-CB 4.45Å; F549-F566 HydrophobicContact CE2-CD1 4.01Å; F549-F566 HydrophobicContact CE2-CD2 4.12Å; F549-F566 HydrophobicContact CE2-CE1 4.28Å; F549-F566 HydrophobicContact CE2-CE2 4.37Å; F549-F566 AromaticContact CE2-CG 3.93Å; F549-F566 HydrophobicContact CE2-CG 3.93Å; F549-F566 HydrophobicContact CE2-CZ 4.45Å; Q562-F566 VanDerWaalsContact O-CB 3.29Å; Q562-F566 WeakPolarHBondContact O-CB 3.46Å; Q562-F566 VanDerWaalsContact O-CD2 3.24Å; Q562-F566 WeakPolarHBondContact O-CD2 3.44Å; Q562-F566 PolarHBondContact O-N 3.23Å; F566-R568 VanDerWaalsContact C-N 3.32Å; F566-R568 PolarHBondContact O-N 3.15Å; F566-A569 PolarHBondContact O-N 2.74Å; F566-L570 WeakPolarHBondContact O-CG 3.3Å; F566-L570 PolarHBondContact O-N 3.42Å; F566-I582 HydrophobicContact CB-CD1 3.89Å
567N91.9Very high87.7Confident24 Ų2460.2 Ų60.213%0.12831%0.311CS..Hα-helixtrans-63.3-37.8178.3-77.2-67.5000112.3L563 V564 L570 A571 L581 I582L563-N567 WeakPolarHBondContact O-CB 3.44Å; L563-N567 PolarHBondContact O-N 3.3Å; L563-N567 VanDerWaalsContact O-N 3.12Å; L563-N567 PolarHBondContact O-ND2 3.03Å; V564-N567 PolarHBondContact O-N 2.77Å; N567-L570 PolarHBondContact O-N 2.88Å; N567-A571 PolarHBondContact O-N 3.08Å; N567-A571 VanDerWaalsContact O-N 3.08Å; N567-L581 WeakPolarHBondContact O-CD2 3.3Å; N567-I582 WeakPolarHBondContact OD1-CB 3.32Å; N567-I582 PolarHBondContact OD1-N 3.11Å
568R92.1Very high87.8Confident137 Ų13761.2 Ų61.252%0.51732%0.321SS..Hα-helixtrans-60-51.1173.9-177.6179.7-59.51524.8111.6V564 K565 F566 L570 A571 D572V564-R568 VanDerWaalsContact O-CB 3.29Å; V564-R568 WeakPolarHBondContact O-CB 3.39Å; V564-R568 PolarHBondContact O-N 3.45Å; K565-R568 PolarHBondContact O-N 3.4Å; F566-R568 VanDerWaalsContact C-N 3.32Å; F566-R568 PolarHBondContact O-N 3.15Å; R568-L570 VanDerWaalsContact C-N 3.28Å; R568-L570 PolarHBondContact O-N 3.38Å; R568-A571 CarbonylContact O-C 3.51Å; R568-A571 WeakPolarHBondContact O-CA 3.15Å; R568-A571 WeakPolarHBondContact O-CB 3.48Å; R568-A571 PolarHBondContact O-N 3.01Å; R568-D572 WeakPolarHBondContact CG-OD2 3.48Å; R568-D572 WeakPolarHBondContact O-CB 3.41Å; R568-D572 VanDerWaalsContact O-CG 3.27Å; R568-D572 PolarHBondContact O-N 3.19Å
569A91.4Very high87.9Confident11 Ų1158.3 Ų58.39%0.09131%0.311CS..Hα-helixtrans-63.4-31.3179.700000113.5M532 A536 K565 F566 A571 H573M532-A569 HydrophobicContact CB-CB 3.9Å; M532-A569 HydrophobicContact CE-CB 3.68Å; M532-A569 HydrophobicContact CG-CB 4.49Å; A536-A569 WeakPolarHBondContact CB-O 3.41Å; K565-A569 WeakPolarHBondContact O-CB 3.32Å; K565-A569 PolarHBondContact O-N 3.25Å; F566-A569 PolarHBondContact O-N 2.74Å; A569-A571 VanDerWaalsContact C-N 3.33Å; A569-H573 WeakPolarHBondContact O-CB 3.49Å; A569-H573 PolarHBondContact O-CD2 3.23Å; A569-H573 PolarHBondContact O-N 2.71Å
570L91.6Very high88.3Confident2 Ų262 Ų621%0.0133%0.325CS..Hα-helixtrans-70.8-26.6172-65-179.6000113L535 A536 I539 V547 F566 N567 R568 S574 L581 I582L535-L570 HydrophobicContact CG-CD2 4.34Å; A536-L570 HydrophobicContact CB-CD2 4.06Å; I539-L570 HydrophobicContact CB-CD2 4.42Å; I539-L570 HydrophobicContact CD1-CD1 4.23Å; I539-L570 HydrophobicContact CD1-CD2 3.67Å; V547-L570 HydrophobicContact CG1-CD1 4.5Å; F566-L570 WeakPolarHBondContact O-CG 3.3Å; F566-L570 PolarHBondContact O-N 3.42Å; N567-L570 PolarHBondContact O-N 2.88Å; R568-L570 VanDerWaalsContact C-N 3.28Å; R568-L570 PolarHBondContact O-N 3.38Å; L570-S574 WeakPolarHBondContact O-CB 3.19Å; L570-L581 HydrophobicContact CB-CD2 4.29Å; L570-I582 HydrophobicContact CD1-CG1 4.08Å
571A91.6Very high88.8Confident35 Ų3563 Ų6329%0.28933%0.329SS..Hα-helixtrans-78.1-57.4171.700000111.5N567 R568 A569 H573 S574 P579 L581N567-A571 PolarHBondContact O-N 3.08Å; N567-A571 VanDerWaalsContact O-N 3.08Å; R568-A571 CarbonylContact O-C 3.51Å; R568-A571 WeakPolarHBondContact O-CA 3.15Å; R568-A571 WeakPolarHBondContact O-CB 3.48Å; R568-A571 PolarHBondContact O-N 3.01Å; A569-A571 VanDerWaalsContact C-N 3.33Å; A571-H573 PolarHBondContact O-N 2.84Å; A571-H573 VanDerWaalsContact O-N 3.17Å; A571-S574 PolarHBondContact O-N 2.64Å; A571-S574 VanDerWaalsContact O-N 3.09Å; A571-P579 HydrophobicContact CB-CB 4.38Å; A571-P579 HydrophobicContact CB-CG 4.07Å; A571-L581 HydrophobicContact CB-CD2 4.07Å
572D90.4Very high89Confident112 Ų11260.8 Ų60.860%0.59932%0.317SS*.Hα-helixtrans-63.8-24.1-170.9-63.50.5000113.6R568R568-D572 WeakPolarHBondContact CG-OD2 3.48Å; R568-D572 WeakPolarHBondContact O-CB 3.41Å; R568-D572 VanDerWaalsContact O-CG 3.27Å; R568-D572 PolarHBondContact O-N 3.19Å
573H87.6Confident89.2Confident78 Ų7860.5 Ų60.536%0.36132%0.316SS..THydrogen-bonded Turntrans-110.17.9178.8-57.6-37.4000113.7T533 A536 A569 A571T533-H573 PolarHBondContact OG1-NE2 2.93Å; A536-H573 HydrophobicContact CB-CB 3.53Å; A569-H573 WeakPolarHBondContact O-CB 3.49Å; A569-H573 PolarHBondContact O-CD2 3.23Å; A569-H573 PolarHBondContact O-N 2.71Å; A571-H573 PolarHBondContact O-N 2.84Å; A571-H573 VanDerWaalsContact O-N 3.17Å
574S87.6Confident89.4Confident18 Ų1860.5 Ų60.513%0.12632%0.316CS..  trans-89.5128.1169.9156.40000110L570 A571 A576L570-S574 WeakPolarHBondContact O-CB 3.19Å; A571-S574 PolarHBondContact O-N 2.64Å; A571-S574 VanDerWaalsContact O-N 3.09Å; S574-A576 VanDerWaalsContact C-N 3.29Å; S574-A576 PolarHBondContact OG-N 2.56Å; S574-A576 VanDerWaalsContact OG-N 3.14Å; S574-A576 PolarHBondContact OG-O 3.12Å
575M81.4Confident89.6Confident189 Ų18958 Ų5893%0.93130%0.301SS*.  trans-85.82.8172.3-57.9-162.5-57.400113.5
576A80.4Confident89.8Confident53 Ų5356 Ų5644%0.43829%0.292SS..SBendtrans-86.2142.3175.600000111.8S574 T578S574-A576 VanDerWaalsContact C-N 3.29Å; S574-A576 PolarHBondContact OG-N 2.56Å; S574-A576 VanDerWaalsContact OG-N 3.14Å; S574-A576 PolarHBondContact OG-O 3.12Å; A576-T578 PolarHBondContact O-N 2.83Å
577Q80.4Confident89.9Confident203 Ų20356 Ų5695%0.94929%0.292SS*.SBendtrans-56.7-32.5176.9-67.1-179.5-9.800113
578T83.1Confident90.1Very high120 Ų12054.9 Ų54.974%0.73629%0.286SS*.SBendtrans-118.398.3173.347.30000109.1A576A576-T578 PolarHBondContact O-N 2.83Å
579P87.6Confident90.2Very high47 Ų4751 Ų5131%0.30527%0.273SS..  trans-68.6146.1-174.426.8-35.4000112.8A571 L581A571-P579 HydrophobicContact CB-CB 4.38Å; A571-P579 HydrophobicContact CB-CG 4.07Å; P579-L581 HydrophobicContact CB-CD2 4.29Å; P579-L581 HydrophobicContact CG-CD2 4.16Å; P579-L581 PolarHBondContact O-N 2.78Å; P579-L581 VanDerWaalsContact O-N 3.11Å
580R90.5Very high90.2Very high78 Ų7851.4 Ų51.429%0.29427%0.273SS..  trans-7993.6171-74.7-56.4-58.2-102.84110.6I539 P544 D545 D583I539-R580 HydrophobicContact CG2-CB 3.81Å; P544-R580 PolarHBondContact O-NH1 3.12Å; P544-R580 PolarHBondContact O-NH2 3.1Å; P544-R580 VanDerWaalsContact O-NH2 3.13Å; D545-R580 PolarHBondContact O-NH2 3.48Å; R580-D583 IonicContact CZ-OD2 3.72Å; R580-D583 IonicContact NE-OD2 2.61Å; R580-D583 IonicContact NH2-OD1 2.64Å; R580-D583 IonicContact NH2-OD2 3.21Å; R580-D583 PolarHBondContact NH2-OD2 3.12Å
581L92.8Very high90.1Very high59 Ų5954.7 Ų54.731%0.30929%0.291SS..  trans-77176.7171.5-55-174.3000111.7N567 L570 A571 P579 D583N567-L581 WeakPolarHBondContact O-CD2 3.3Å; L570-L581 HydrophobicContact CB-CD2 4.29Å; A571-L581 HydrophobicContact CB-CD2 4.07Å; P579-L581 HydrophobicContact CB-CD2 4.29Å; P579-L581 HydrophobicContact CG-CD2 4.16Å; P579-L581 PolarHBondContact O-N 2.78Å; P579-L581 VanDerWaalsContact O-N 3.11Å; L581-D583 PolarHBondContact O-N 3.3Å
582I93.6Very high90Very high0 Ų056 Ų560%030%0.295CS..  trans-61135.1170.7-69.7156.7000109.6V547 F549 L563 F566 N567 L570 G584 K609V547-I582 HydrophobicContact CG1-CG1 4.12Å; F549-I582 HydrophobicContact CB-CD1 3.76Å; F549-I582 HydrophobicContact CB-CG1 4.08Å; F549-I582 HydrophobicContact CB-CG2 3.73Å; F549-I582 HydrophobicContact CD2-CD1 3.84Å; F549-I582 HydrophobicContact CG-CD1 4.09Å; L563-I582 HydrophobicContact CD2-CD1 3.97Å; F566-I582 HydrophobicContact CB-CD1 3.89Å; N567-I582 WeakPolarHBondContact OD1-CB 3.32Å; N567-I582 PolarHBondContact OD1-N 3.11Å; L570-I582 HydrophobicContact CD1-CG1 4.08Å; I582-G584 VanDerWaalsContact CG2-O 3.3Å; I582-G584 WeakPolarHBondContact CG2-O 3.45Å; I582-K609 WeakPolarHBondContact O-CD 3.34Å; I582-K609 VanDerWaalsContact O-CE 3.24Å; I582-K609 WeakPolarHBondContact O-CE 3.11Å; I582-K609 PolarHBondContact O-NZ 2.71Å
583D93.8Very high89.8Confident9 Ų951 Ų515%0.04827%0.269CS..  trans-99-32-179.1-68.5-73.8000113.1R401 L546 V547 R580 L581R401-D583 IonicContact CZ-OD1 2.7Å; R401-D583 VanDerWaalsContact CZ-OD1 3.29Å; R401-D583 IonicContact NH1-OD1 2.72Å; R401-D583 PolarHBondContact NH1-OD1 2.79Å; R401-D583 IonicContact NH2-OD1 2.67Å; R401-D583 PolarHBondContact NH2-OD1 3.08Å; L546-D583 HydrophobicContact CD1-CB 3.53Å; L546-D583 HydrophobicContact CG-CB 4.28Å; V547-D583 PolarHBondContact N-OD2 2.77Å; V547-D583 PolarHBondContact O-N 3.24Å; R580-D583 IonicContact CZ-OD2 3.72Å; R580-D583 IonicContact NE-OD2 2.61Å; R580-D583 IonicContact NH2-OD1 2.64Å; R580-D583 IonicContact NH2-OD2 3.21Å; R580-D583 PolarHBondContact NH2-OD2 3.12Å; L581-D583 PolarHBondContact O-N 3.3Å
584G94.1Very high89.6Confident0 Ų054 Ų540%029%0.287CS..EExtended strand (participates in β ladder)trans-157.4167.9-178.700000112.7V547 L548 F549 I582 P610V547-G584 PolarHBondContact O-N 3.05Å; L548-G584 WeakPolarHBondContact CA-O 3.35Å; F549-G584 PolarHBondContact N-O 3.21Å; I582-G584 VanDerWaalsContact CG2-O 3.3Å; I582-G584 WeakPolarHBondContact CG2-O 3.45Å; G584-P610 CarbonylContact C-O 3.6Å; G584-P610 WeakPolarHBondContact CA-O 3.38Å
585I94.8Very high89.2Confident0 Ų056 Ų560%030%0.296CS..EExtended strand (participates in β ladder)trans-114.9142.9-177.9-64.1149.3000109.8F549 M603 K609 P610 I611 V612F549-I585 CarbonylContact O-C 3.51Å; F549-I585 VanDerWaalsContact O-CA 3.32Å; F549-I585 WeakPolarHBondContact O-CA 3.39Å; I585-M603 HydrophobicContact CD1-CB 3.9Å; I585-M603 HydrophobicContact CG2-SD 3.98Å; I585-K609 HydrophobicContact CD1-CB 4.45Å; I585-P610 PolarHBondContact N-O 2.54Å; I585-I611 HydrophobicContact CB-CG1 4.06Å; I585-I611 HydrophobicContact CD1-CG1 4.44Å; I585-I611 HydrophobicContact CG2-CG1 4.04Å; I585-I611 CarbonylContact O-C 3.49Å; I585-I611 WeakPolarHBondContact O-CA 3.39Å; I585-V612 PolarHBondContact O-N 3.08Å
586V96.3Very high89.5Confident0 Ų051.8 Ų51.80%027%0.273CS..EExtended strand (participates in β ladder)trans-112.8116163.6178.10000107.3N434 I438 L548 F549 V550 G551 T588 F613N434-V586 HydrophobicContact CB-CG1 4.28Å; I438-V586 HydrophobicContact CD1-CG2 4.42Å; L548-V586 HydrophobicContact CB-CG2 4.31Å; L548-V586 HydrophobicContact CD1-CG2 3.93Å; L548-V586 HydrophobicContact CD2-CG2 4.39Å; L548-V586 HydrophobicContact CG-CG2 4.45Å; F549-V586 PolarHBondContact O-N 3.17Å; V550-V586 WeakPolarHBondContact CA-O 3.37Å; V550-V586 HydrophobicContact CG1-CB 4.48Å; V550-V586 HydrophobicContact CG2-CB 4.25Å; G551-V586 PolarHBondContact N-O 3.5Å; V586-T588 HydrophobicContact CG1-CG2 4.04Å; V586-F613 WeakPolarHBondContact CA-O 3.21Å; V586-F613 HydrophobicContact CG1-CB 4.33Å; V586-F613 HydrophobicContact CG2-CB 4.47Å; V586-F613 HydrophobicContact CG2-CD2 4.18Å
587L95.1Very high89.8Confident1 Ų149.3 Ų49.31%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-96.9115.8-177.2-173.864.8000109.7G551 A553 F590 A600 M603 I611 F613 V614 G615G551-L587 CarbonylContact O-C 3.43Å; G551-L587 WeakPolarHBondContact O-CA 3.41Å; A553-L587 HydrophobicContact CB-CD1 3.97Å; A553-L587 HydrophobicContact CB-CD2 4.31Å; A553-L587 HydrophobicContact CB-CG 4.03Å; L587-F590 HydrophobicContact CD2-CD2 3.82Å; L587-F590 HydrophobicContact CD2-CE2 4.06Å; L587-F590 HydrophobicContact CG-CD2 4.4Å; L587-A600 HydrophobicContact CD2-CB 3.77Å; L587-M603 HydrophobicContact CD1-CE 3.92Å; L587-M603 HydrophobicContact CD1-SD 3.87Å; L587-I611 HydrophobicContact CB-CG2 3.9Å; L587-I611 HydrophobicContact CD2-CD1 4.13Å; L587-F613 PolarHBondContact N-O 3.32Å; L587-V614 CarbonylContact O-C 3.57Å; L587-V614 VanDerWaalsContact O-CA 3.31Å; L587-V614 WeakPolarHBondContact O-CA 3.36Å; L587-G615 PolarHBondContact O-N 3.02Å
588T95.6Very high90.2Very high1 Ų139.6 Ų39.61%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-111166-17171.10000112.5V429 N434 V550 G551 E552 A553 V586 F590V429-T588 WeakPolarHBondContact O-CG2 3.42Å; V429-T588 PolarHBondContact O-OG1 3.02Å; N434-T588 HydrophobicContact CB-CG2 4.43Å; N434-T588 VanDerWaalsContact ND2-CG2 3.32Å; N434-T588 WeakPolarHBondContact ND2-CG2 3.43Å; V550-T588 HydrophobicContact CG1-CG2 3.48Å; V550-T588 VanDerWaalsContact CG1-CG2 3.48Å; G551-T588 PolarHBondContact O-N 2.86Å; G551-T588 PolarHBondContact O-OG1 2.77Å; E552-T588 CarbonylContact C-O 3.58Å; E552-T588 WeakPolarHBondContact CA-O 3.28Å; A553-T588 PolarHBondContact N-O 3.33Å; V586-T588 HydrophobicContact CG1-CG2 4.04Å; T588-F590 PolarHBondContact O-N 3Å
589K94.1Very high90.5Very high56 Ų5634 Ų3424%0.24317%0.172CC..  trans58.732.7-178.9-50.7-178.9-174.2170.70112.4G428 E552 L554 D591 T592 G615G428-K589 WeakPolarHBondContact O-CE 3.27Å; G428-K589 PolarHBondContact O-NZ 2.66Å; E552-K589 HydrophobicContact CB-CD 4.12Å; E552-K589 HydrophobicContact CB-CG 4.41Å; E552-K589 WeakPolarHBondContact OE2-CD 3.37Å; E552-K589 VanDerWaalsContact OE2-CE 3.28Å; E552-K589 WeakPolarHBondContact OE2-CE 3.2Å; E552-K589 IonicContact OE2-NZ 2.78Å; E552-K589 PolarHBondContact OE2-NZ 3.15Å; L554-K589 HydrophobicContact CD1-CB 4.46Å; L554-K589 HydrophobicContact CD1-CD 4.02Å; K589-D591 VanDerWaalsContact C-OD1 3.24Å; K589-D591 WeakPolarHBondContact CA-OD1 3.42Å; K589-D591 PolarHBondContact O-N 2.75Å; K589-T592 HydrophobicContact CB-CG2 4.24Å; K589-T592 PolarHBondContact O-N 2.9Å; K589-T592 VanDerWaalsContact O-N 3.09Å; K589-T592 PolarHBondContact O-OG1 3.37Å; K589-G615 PolarHBondContact N-O 2.99Å
590F91.5Very high90.7Very high18 Ų1831.7 Ų31.78%0.07916%0.158CC..G310 helixtrans-68-25.7178.9-160.4-79.7000111.2L293 A553 L587 T588 T592 I593 V597 V614 G615 T616L293-F590 HydrophobicContact CD1-CD1 4.03Å; L293-F590 HydrophobicContact CD1-CE1 4.19Å; L293-F590 HydrophobicContact CD2-CD1 4.19Å; L293-F590 HydrophobicContact CD2-CD2 4.45Å; L293-F590 HydrophobicContact CD2-CE1 3.73Å; L293-F590 HydrophobicContact CD2-CE2 3.99Å; L293-F590 HydrophobicContact CD2-CZ 3.6Å; L293-F590 HydrophobicContact CG-CE1 4.33Å; A553-F590 HydrophobicContact CB-CD2 4.18Å; L587-F590 HydrophobicContact CD2-CD2 3.82Å; L587-F590 HydrophobicContact CD2-CE2 4.06Å; L587-F590 HydrophobicContact CG-CD2 4.4Å; T588-F590 PolarHBondContact O-N 3Å; F590-T592 PolarHBondContact O-N 3.37Å; F590-I593 HydrophobicContact CD2-CD1 4.08Å; F590-I593 HydrophobicContact CE1-CD1 4.48Å; F590-I593 HydrophobicContact CE2-CD1 4.01Å; F590-I593 HydrophobicContact CG-CD1 4.37Å; F590-I593 HydrophobicContact CZ-CD1 4.22Å; F590-I593 VanDerWaalsContact O-CG1 3.23Å; F590-I593 WeakPolarHBondContact O-CG1 3.49Å; F590-V597 HydrophobicContact CE1-CG1 4.12Å; F590-V597 HydrophobicContact CE2-CB 4.35Å; F590-V597 HydrophobicContact CE2-CG1 4.14Å; F590-V597 HydrophobicContact CZ-CB 4.06Å; F590-V597 HydrophobicContact CZ-CG1 3.43Å; F590-V597 VanDerWaalsContact CZ-CG1 3.43Å; F590-V614 HydrophobicContact CB-CG1 3.51Å; F590-V614 HydrophobicContact CD1-CG1 4.39Å; F590-V614 HydrophobicContact CD2-CG1 3.6Å; F590-V614 HydrophobicContact CE2-CG1 4.43Å; F590-V614 HydrophobicContact CG-CG1 3.57Å; F590-G615 PolarHBondContact N-O 3.14Å; F590-G615 VanDerWaalsContact N-O 3.08Å; F590-T616 HydrophobicContact CB-CG2 4.27Å
591D90.3Very high90.7Very high72 Ų7228 Ų2839%0.38514%0.144SC..G310 helixtrans-58.8-10.616748.8-63000115.2K589 T616 G617K589-D591 VanDerWaalsContact C-OD1 3.24Å; K589-D591 WeakPolarHBondContact CA-OD1 3.42Å; K589-D591 PolarHBondContact O-N 2.75Å; D591-T616 VanDerWaalsContact OD1-C 3.28Å; D591-T616 WeakPolarHBondContact OD1-CA 3.38Å; D591-G617 PolarHBondContact OD1-N 3.11Å
592T89.9Confident90.7Very high63 Ų6325.2 Ų25.239%0.38713%0.129SC..G310 helixtrans-117.313.9-17475.70000114.6L554 K589 F590L554-T592 WeakPolarHBondContact CD1-OG1 3.46Å; L554-T592 WeakPolarHBondContact CG-OG1 3.28Å; K589-T592 HydrophobicContact CB-CG2 4.24Å; K589-T592 PolarHBondContact O-N 2.9Å; K589-T592 VanDerWaalsContact O-N 3.09Å; K589-T592 PolarHBondContact O-OG1 3.37Å; F590-T592 PolarHBondContact O-N 3.37Å
593I84.9Confident90.5Very high7 Ų725.2 Ų25.24%0.03613%0.129CC..  trans-125.3-2.4-173.256.7147.6000115.6A553 L554 F590 D595 K596 V597A553-I593 HydrophobicContact CB-CD1 3.69Å; A553-I593 HydrophobicContact CB-CG1 4.06Å; A553-I593 HydrophobicContact CB-CG2 4.04Å; L554-I593 HydrophobicContact CB-CG2 4.49Å; L554-I593 HydrophobicContact CD2-CG2 3.83Å; L554-I593 HydrophobicContact CG-CG2 3.97Å; F590-I593 HydrophobicContact CD2-CD1 4.08Å; F590-I593 HydrophobicContact CE1-CD1 4.48Å; F590-I593 HydrophobicContact CE2-CD1 4.01Å; F590-I593 HydrophobicContact CG-CD1 4.37Å; F590-I593 HydrophobicContact CZ-CD1 4.22Å; F590-I593 VanDerWaalsContact O-CG1 3.23Å; F590-I593 WeakPolarHBondContact O-CG1 3.49Å; I593-D595 PolarHBondContact O-N 3.24Å; I593-K596 HydrophobicContact CB-CB 4.44Å; I593-K596 WeakPolarHBondContact O-CB 3.23Å; I593-K596 PolarHBondContact O-N 3.45Å; I593-V597 HydrophobicContact CD1-CB 4.35Å; I593-V597 HydrophobicContact CD1-CG1 3.99Å
594D83.5Confident90.3Very high139 Ų13924.8 Ų24.874%0.74313%0.127SC*.THydrogen-bonded Turntrans51.3-102.1-178.8-47.2-44.9000112.7
595D80.5Confident90Very high60 Ų6026 Ų2632%0.32113%0.132SC..THydrogen-bonded Turntrans-103.6-1.8179.969.5-10.4000114.4K352 I593 V597K352-D595 HydrophobicContact CD-CB 4.43Å; K352-D595 IonicContact NZ-OD2 3.36Å; K352-D595 PolarHBondContact NZ-OD2 2.92Å; I593-D595 PolarHBondContact O-N 3.24Å; D595-V597 PolarHBondContact O-N 3.44Å
596K86Confident89.5Confident101 Ų10128 Ų2844%0.43914%0.142SC..  trans-84.149.9-173.3-60.8177.2-175.5149.60112.6K352 N353 I593 G598K352-K596 CarbonylContact O-C 3.12Å; K352-K596 WeakPolarHBondContact O-CA 3.45Å; N353-K596 HydrophobicContact CB-CB 3.99Å; I593-K596 HydrophobicContact CB-CB 4.44Å; I593-K596 WeakPolarHBondContact O-CB 3.23Å; I593-K596 PolarHBondContact O-N 3.45Å; K596-G598 PolarHBondContact O-N 3.23Å
597V87.4Confident88.9Confident1 Ų128.8 Ų28.81%0.00615%0.147CC..THydrogen-bonded Turntrans-75.61-170.7-54.30000114.4F590 I593 D595 A599 A600 V631 L635F590-V597 HydrophobicContact CE1-CG1 4.12Å; F590-V597 HydrophobicContact CE2-CB 4.35Å; F590-V597 HydrophobicContact CE2-CG1 4.14Å; F590-V597 HydrophobicContact CZ-CB 4.06Å; F590-V597 HydrophobicContact CZ-CG1 3.43Å; F590-V597 VanDerWaalsContact CZ-CG1 3.43Å; I593-V597 HydrophobicContact CD1-CB 4.35Å; I593-V597 HydrophobicContact CD1-CG1 3.99Å; D595-V597 PolarHBondContact O-N 3.44Å; V597-A599 PolarHBondContact O-N 2.87Å; V597-A599 VanDerWaalsContact O-N 3.12Å; V597-A600 VanDerWaalsContact O-CB 3.31Å; V597-A600 WeakPolarHBondContact O-CB 3.42Å; V597-A600 PolarHBondContact O-N 2.81Å; V597-V631 HydrophobicContact CB-CG1 4.05Å; V597-V631 HydrophobicContact CG2-CG1 3.78Å; V597-L635 HydrophobicContact CG2-CB 3.75Å; V597-L635 HydrophobicContact CG2-CD1 4.2Å; V597-L635 HydrophobicContact CG2-CG 4.46Å
598G88.9Confident88.5Confident0 Ų030.8 Ų30.80%016%0.161CC..Hα-helixtrans-63.5-17-173.400000116.4K352 N353 V354 K596 A600 I601 S602K352-G598 WeakPolarHBondContact O-CA 3.39Å; K352-G598 PolarHBondContact O-N 2.82Å; N353-G598 CarbonylContact O-C 3.59Å; V354-G598 VanDerWaalsContact CG2-CA 3.42Å; K596-G598 PolarHBondContact O-N 3.23Å; G598-A600 PolarHBondContact O-N 3.05Å; G598-I601 PolarHBondContact O-N 3.16Å; G598-S602 PolarHBondContact O-N 3.16Å; G598-S602 VanDerWaalsContact O-N 3.09Å; G598-S602 PolarHBondContact O-OG 3.39Å
599A90.1Very high88.1Confident1 Ų132.7 Ų32.71%0.00817%0.169CC..Hα-helixtrans-57.3-38.4169.300000111.6N353 A553 V555 V597 S602 M603N353-A599 PolarHBondContact O-N 3.47Å; N353-A599 VanDerWaalsContact O-N 3.17Å; A553-A599 WeakPolarHBondContact O-CB 3.17Å; V555-A599 VanDerWaalsContact O-CB 3.26Å; V555-A599 WeakPolarHBondContact O-CB 3.46Å; V597-A599 PolarHBondContact O-N 2.87Å; V597-A599 VanDerWaalsContact O-N 3.12Å; A599-S602 PolarHBondContact O-N 2.98Å; A599-M603 WeakPolarHBondContact O-CG 3.4Å; A599-M603 PolarHBondContact O-N 2.76Å
600A91.1Very high88Confident0 Ų030.9 Ų30.90%016%0.163CC..Hα-helixtrans-58.8-51.1177.200000111.7L397 L587 V597 G598 S602 M603 T604 I611 V631L397-A600 HydrophobicContact CD2-CB 4.2Å; L587-A600 HydrophobicContact CD2-CB 3.77Å; V597-A600 VanDerWaalsContact O-CB 3.31Å; V597-A600 WeakPolarHBondContact O-CB 3.42Å; V597-A600 PolarHBondContact O-N 2.81Å; G598-A600 PolarHBondContact O-N 3.05Å; A600-S602 VanDerWaalsContact C-N 3.3Å; A600-S602 PolarHBondContact O-N 3.43Å; A600-M603 PolarHBondContact O-N 3.02Å; A600-T604 PolarHBondContact O-N 3.42Å; A600-T604 VanDerWaalsContact O-N 3.08Å; A600-T604 PolarHBondContact O-OG1 3.43Å; A600-I611 HydrophobicContact CB-CD1 3.69Å; A600-V631 HydrophobicContact CB-CG1 4.47Å
601I91.6Very high88.1Confident0 Ų030.5 Ų30.50%016%0.162CC..Hα-helixtrans-55.7-47.7176.9-52-57.9000110.6V354 L362 L393 I396 L397 G598 M603 T604 Y605 V632 L635V354-I601 HydrophobicContact CG2-CB 4.44Å; V354-I601 HydrophobicContact CG2-CG1 4.39Å; L362-I601 HydrophobicContact CD1-CG2 4.06Å; L393-I601 HydrophobicContact CD2-CD1 3.87Å; L393-I601 HydrophobicContact CD2-CG1 4.06Å; L393-I601 HydrophobicContact CD2-CG2 3.67Å; I396-I601 HydrophobicContact CG2-CG2 4.4Å; L397-I601 HydrophobicContact CD1-CD1 3.77Å; L397-I601 HydrophobicContact CD2-CD1 3.88Å; L397-I601 HydrophobicContact CG-CD1 3.66Å; G598-I601 PolarHBondContact O-N 3.16Å; I601-M603 PolarHBondContact O-N 3.14Å; I601-T604 PolarHBondContact O-N 2.75Å; I601-T604 PolarHBondContact O-OG1 2.94Å; I601-Y605 VanDerWaalsContact O-CB 3.23Å; I601-Y605 WeakPolarHBondContact O-CB 3.3Å; I601-Y605 PolarHBondContact O-N 3.43Å; I601-V632 HydrophobicContact CD1-CG2 4.42Å; I601-L635 HydrophobicContact CD1-CD2 3.89Å; I601-L635 HydrophobicContact CG1-CD2 3.55Å
602S91.3Very high88.2Confident0 Ų028.1 Ų28.10%015%0.149CC..Hα-helixtrans-61.3-46.3-175.6-53.10000111.2A355 G598 A599 A600 I606A355-S602 PolarHBondContact N-OG 3.05Å; G598-S602 PolarHBondContact O-N 3.16Å; G598-S602 VanDerWaalsContact O-N 3.09Å; G598-S602 PolarHBondContact O-OG 3.39Å; A599-S602 PolarHBondContact O-N 2.98Å; A600-S602 VanDerWaalsContact C-N 3.3Å; A600-S602 PolarHBondContact O-N 3.43Å; S602-I606 WeakPolarHBondContact O-CD1 3.34Å
603M90Very high88.5Confident0 Ų025.3 Ų25.30%013%0.132CC..Hα-helixtrans-66.1-42.4178.1-65.7-174.2-169.500112.8A559 L563 I585 L587 A599 A600 I601 T607A559-M603 HydrophobicContact CB-CE 3.64Å; A559-M603 HydrophobicContact CB-CG 3.86Å; L563-M603 HydrophobicContact CD1-CB 3.54Å; L563-M603 HydrophobicContact CD1-CG 3.56Å; L563-M603 HydrophobicContact CD1-SD 4.35Å; I585-M603 HydrophobicContact CD1-CB 3.9Å; I585-M603 HydrophobicContact CG2-SD 3.98Å; L587-M603 HydrophobicContact CD1-CE 3.92Å; L587-M603 HydrophobicContact CD1-SD 3.87Å; A599-M603 WeakPolarHBondContact O-CG 3.4Å; A599-M603 PolarHBondContact O-N 2.76Å; A600-M603 PolarHBondContact O-N 3.02Å; I601-M603 PolarHBondContact O-N 3.14Å; M603-T607 WeakPolarHBondContact O-CG2 3.15Å; M603-T607 PolarHBondContact O-OG1 3.42Å
604T89.4Confident89Confident1 Ų125 Ų251%0.00613%0.13CC..Hα-helixtrans-73.6-38-178.9510000113.4I396 L397 A600 I601 I606 S608 I611I396-T604 WeakPolarHBondContact CG2-OG1 3.29Å; L397-T604 HydrophobicContact CD2-CG2 3.94Å; A600-T604 PolarHBondContact O-N 3.42Å; A600-T604 VanDerWaalsContact O-N 3.08Å; A600-T604 PolarHBondContact O-OG1 3.43Å; I601-T604 PolarHBondContact O-N 2.75Å; I601-T604 PolarHBondContact O-OG1 2.94Å; T604-I606 PolarHBondContact O-N 2.9Å; T604-S608 WeakPolarHBondContact O-CA 3.41Å; T604-S608 PolarHBondContact O-N 3.37Å; T604-I611 HydrophobicContact CG2-CD1 3.88Å; T604-I611 HydrophobicContact CG2-CG1 3.81Å
605Y87.9Confident89.6Confident25 Ų2518.3 Ų18.310%0.09810%0.095CC..Hα-helixtrans-59.4-49-176.1178-92.4000111.8R41 I358 Q361 L362 I396 I601R41-Y605 PolarHBondContact NH2-O 2.7Å; I358-Y605 HydrophobicContact CD1-CD1 3.74Å; I358-Y605 HydrophobicContact CD1-CE1 3.89Å; I358-Y605 HydrophobicContact CG1-CD1 4.46Å; I358-Y605 HydrophobicContact CG2-CD1 3.76Å; I358-Y605 HydrophobicContact CG2-CD2 4.24Å; I358-Y605 HydrophobicContact CG2-CE1 4.22Å; I358-Y605 HydrophobicContact CG2-CG 3.76Å; Q361-Y605 WeakPolarHBondContact CB-OH 3.5Å; Q361-Y605 PolarHBondContact OE1-OH 3.48Å; L362-Y605 HydrophobicContact CD2-CD2 4.16Å; L362-Y605 HydrophobicContact CD2-CE2 4.06Å; I396-Y605 HydrophobicContact CD1-CD2 3.73Å; I396-Y605 HydrophobicContact CD1-CE2 4.26Å; I396-Y605 HydrophobicContact CG1-CD2 4.11Å; I396-Y605 HydrophobicContact CG2-CD2 4.38Å; I601-Y605 VanDerWaalsContact O-CB 3.23Å; I601-Y605 WeakPolarHBondContact O-CB 3.3Å; I601-Y605 PolarHBondContact O-N 3.43Å
606I84.3Confident90.2Very high41 Ų4117.2 Ų17.221%0.219%0.09CC..Hα-helixtrans-69.8-51.9-175.8-64.3161.5000110.8R41 I358 V560 V564 S602 T604R41-I606 PolarHBondContact NH2-O 3.15Å; R41-I606 VanDerWaalsContact NH2-O 3.09Å; I358-I606 HydrophobicContact CD1-CD1 4.21Å; I358-I606 HydrophobicContact CD1-CG1 4.08Å; V560-I606 HydrophobicContact CB-CD1 3.69Å; V560-I606 HydrophobicContact CG1-CD1 3.53Å; V560-I606 HydrophobicContact CG2-CD1 3.58Å; V564-I606 HydrophobicContact CG2-CG2 3.77Å; S602-I606 WeakPolarHBondContact O-CD1 3.34Å; T604-I606 PolarHBondContact O-N 2.9Å
607T83.9Confident90.6Very high18 Ų1813 Ų1311%0.118%0.075CC..Hα-helixtrans-80.9-26.6-170.465.80000113.2L563 M603 K609L563-T607 HydrophobicContact CB-CG2 3.83Å; L563-T607 HydrophobicContact CD1-CG2 3.81Å; L563-T607 HydrophobicContact CD2-CG2 3.99Å; L563-T607 HydrophobicContact CG-CG2 4.1Å; M603-T607 WeakPolarHBondContact O-CG2 3.15Å; M603-T607 PolarHBondContact O-OG1 3.42Å; T607-K609 WeakPolarHBondContact O-CE 3.5Å; T607-K609 PolarHBondContact O-N 3.09Å; T607-K609 PolarHBondContact OG1-N 3.37Å
608S85.6Confident90.9Very high43 Ų4318.8 Ų18.830%0.30110%0.102SC..  trans45.637.8-164.5-62.50000113.2R41 T604R41-S608 PolarHBondContact NH2-OG 3.35Å; T604-S608 WeakPolarHBondContact O-CA 3.41Å; T604-S608 PolarHBondContact O-N 3.37Å
609K88.6Confident91.2Very high41 Ų4122 Ų2218%0.17812%0.122CC..  trans-104.7143.9170.6-53-59.1166.8128.20109.5I582 I585 T607I582-K609 WeakPolarHBondContact O-CD 3.34Å; I582-K609 VanDerWaalsContact O-CE 3.24Å; I582-K609 WeakPolarHBondContact O-CE 3.11Å; I582-K609 PolarHBondContact O-NZ 2.71Å; I585-K609 HydrophobicContact CD1-CB 4.45Å; T607-K609 WeakPolarHBondContact O-CE 3.5Å; T607-K609 PolarHBondContact O-N 3.09Å; T607-K609 PolarHBondContact OG1-N 3.37Å
610P91.8Very high91.5Very high17 Ų1722.7 Ų22.711%0.1112%0.124CC..  trans-68147.4177.529.1-35.6000111.3P399 R401 V403 G584 I585 V612P399-P610 HydrophobicContact CG-CB 3.98Å; R401-P610 WeakPolarHBondContact O-CG 3.49Å; V403-P610 HydrophobicContact CB-CG 4.29Å; V403-P610 HydrophobicContact CG2-CG 3.74Å; G584-P610 CarbonylContact C-O 3.6Å; G584-P610 WeakPolarHBondContact CA-O 3.38Å; I585-P610 PolarHBondContact N-O 2.54Å; P610-V612 HydrophobicContact CG-CG2 4.27Å; P610-V612 PolarHBondContact O-N 3.2Å
611I93Very high91.6Very high11 Ų1124 Ų246%0.05613%0.134CC..EExtended strand (participates in β ladder)trans-76.2111.7156.1-60.4167000106I585 L587 A600 T604 F613 V614 L626I585-I611 HydrophobicContact CB-CG1 4.06Å; I585-I611 HydrophobicContact CD1-CG1 4.44Å; I585-I611 HydrophobicContact CG2-CG1 4.04Å; I585-I611 CarbonylContact O-C 3.49Å; I585-I611 WeakPolarHBondContact O-CA 3.39Å; L587-I611 HydrophobicContact CB-CG2 3.9Å; L587-I611 HydrophobicContact CD2-CD1 4.13Å; A600-I611 HydrophobicContact CB-CD1 3.69Å; T604-I611 HydrophobicContact CG2-CD1 3.88Å; T604-I611 HydrophobicContact CG2-CG1 3.81Å; I611-F613 WeakPolarHBondContact CG2-O 3.45Å; I611-V614 HydrophobicContact CG2-CG2 3.97Å; I611-L626 HydrophobicContact CB-CB 4.41Å; I611-L626 HydrophobicContact CB-CD1 4.45Å; I611-L626 HydrophobicContact CB-CD2 4.21Å; I611-L626 HydrophobicContact CD1-CD1 4.05Å; I611-L626 HydrophobicContact CD1-CD2 4.19Å; I611-L626 HydrophobicContact CG2-CB 4.38Å; I611-L626 HydrophobicContact CG2-CD1 4.32Å
612V93.6Very high91.8Very high21 Ų2125.9 Ų25.913%0.12714%0.143CC..EExtended strand (participates in β ladder)trans-81.3-38.9-175.6-174.20000110.3V403 L548 I585 P610V403-V612 HydrophobicContact CB-CG2 4.18Å; V403-V612 HydrophobicContact CG1-CG1 4.19Å; V403-V612 HydrophobicContact CG1-CG2 4.14Å; L548-V612 HydrophobicContact CD2-CB 4.31Å; L548-V612 HydrophobicContact CD2-CG2 3.9Å; I585-V612 PolarHBondContact O-N 3.08Å; P610-V612 HydrophobicContact CG-CG2 4.27Å; P610-V612 PolarHBondContact O-N 3.2Å
613F95.4Very high91.9Very high4 Ų426.2 Ų26.22%0.01815%0.145CC..EExtended strand (participates in β ladder)trans-140.3150.2177.8-56.5-66.3000111.7L290 M405 I438 W441 V586 L587 I611 L623L290-F613 HydrophobicContact CD1-CD1 4.17Å; L290-F613 HydrophobicContact CD1-CE1 3.74Å; L290-F613 HydrophobicContact CD2-CD1 4.35Å; M405-F613 HydrophobicContact CE-CE2 3.93Å; M405-F613 HydrophobicContact CE-CZ 4.33Å; M405-F613 HydrophobicContact SD-CE2 4.31Å; M405-F613 HydrophobicContact SD-CZ 4.22Å; I438-F613 HydrophobicContact CD1-CD2 3.49Å; I438-F613 VanDerWaalsContact CD1-CD2 3.49Å; I438-F613 HydrophobicContact CD1-CE2 3.69Å; I438-F613 HydrophobicContact CD1-CG 4.38Å; I438-F613 HydrophobicContact CG1-CD2 3.84Å; I438-F613 HydrophobicContact CG1-CE2 3.8Å; I438-F613 HydrophobicContact CG1-CG 4.45Å; I438-F613 HydrophobicContact CG1-CZ 4.41Å; I438-F613 HydrophobicContact CG2-CE2 4.35Å; W441-F613 HydrophobicContact CE3-CE1 4.25Å; W441-F613 AromaticContact CE3-CZ 3.96Å; W441-F613 HydrophobicContact CE3-CZ 3.96Å; W441-F613 HydrophobicContact CH2-CE1 4.25Å; W441-F613 HydrophobicContact CH2-CZ 4.06Å; W441-F613 HydrophobicContact CZ3-CE1 4.13Å; W441-F613 AromaticContact CZ3-CZ 3.64Å; W441-F613 HydrophobicContact CZ3-CZ 3.64Å; V586-F613 WeakPolarHBondContact CA-O 3.21Å; V586-F613 HydrophobicContact CG1-CB 4.33Å; V586-F613 HydrophobicContact CG2-CB 4.47Å; V586-F613 HydrophobicContact CG2-CD2 4.18Å; L587-F613 PolarHBondContact N-O 3.32Å; I611-F613 WeakPolarHBondContact CG2-O 3.45Å; F613-L623 HydrophobicContact CB-CD1 3.85Å; F613-L623 HydrophobicContact CB-CG 4.34Å; F613-L623 HydrophobicContact CD1-CD2 4.16Å; F613-L623 HydrophobicContact CD1-CG 4.31Å; F613-L623 HydrophobicContact CG-CD1 4.31Å; F613-L623 HydrophobicContact CG-CD2 4.43Å; F613-L623 HydrophobicContact CG-CG 4.47Å
614V95.3Very high92.1Very high0 Ų029.5 Ų29.50%016%0.158CC..EExtended strand (participates in β ladder)trans-116.7127.1170.4-173.30000108.9L293 L587 F590 I611 T616 L623 R624 L626L293-V614 HydrophobicContact CD1-CB 4.49Å; L293-V614 HydrophobicContact CD1-CG1 4.05Å; L293-V614 HydrophobicContact CD2-CG1 4.15Å; L293-V614 HydrophobicContact CD2-CG2 4.3Å; L587-V614 CarbonylContact O-C 3.57Å; L587-V614 VanDerWaalsContact O-CA 3.31Å; L587-V614 WeakPolarHBondContact O-CA 3.36Å; F590-V614 HydrophobicContact CB-CG1 3.51Å; F590-V614 HydrophobicContact CD1-CG1 4.39Å; F590-V614 HydrophobicContact CD2-CG1 3.6Å; F590-V614 HydrophobicContact CE2-CG1 4.43Å; F590-V614 HydrophobicContact CG-CG1 3.57Å; I611-V614 HydrophobicContact CG2-CG2 3.97Å; V614-T616 HydrophobicContact CG1-CG2 4.1Å; V614-L623 WeakPolarHBondContact O-CA 3.43Å; V614-R624 HydrophobicContact CB-CB 4.41Å; V614-R624 PolarHBondContact N-O 3.33Å; V614-R624 PolarHBondContact O-N 3.16Å; V614-L626 HydrophobicContact CG2-CB 4.02Å; V614-L626 HydrophobicContact CG2-CD1 3.7Å; V614-L626 HydrophobicContact CG2-CG 4.5Å
615G95.4Very high92.1Very high0 Ų030.7 Ų30.70%017%0.166CC..EExtended strand (participates in β ladder)trans-97.8116176.800000111.1L587 K589 F590 D622L587-G615 PolarHBondContact O-N 3.02Å; K589-G615 PolarHBondContact N-O 2.99Å; F590-G615 PolarHBondContact N-O 3.14Å; F590-G615 VanDerWaalsContact N-O 3.08Å; G615-D622 WeakPolarHBondContact CA-O 3.45Å
616T94.4Very high92Very high36 Ų3630.9 Ų30.922%0.22117%0.169CC..  trans-115.847.7-169.960.30000111.8L293 F590 D591 V614 D622 R624L293-T616 HydrophobicContact CD1-CG2 3.53Å; F590-T616 HydrophobicContact CB-CG2 4.27Å; D591-T616 VanDerWaalsContact OD1-C 3.28Å; D591-T616 WeakPolarHBondContact OD1-CA 3.38Å; V614-T616 HydrophobicContact CG1-CG2 4.1Å; T616-D622 PolarHBondContact N-O 3.35Å; T616-R624 HydrophobicContact CG2-CB 4.43Å; T616-R624 HydrophobicContact CG2-CG 3.85Å
617G93.8Very high92.1Very high12 Ų1230.9 Ų30.912%0.12417%0.169CC..SBendtrans139.2-158.4-17400000113.6K437 D591 D622K437-G617 PolarHBondContact NZ-O 3.29Å; D591-G617 PolarHBondContact OD1-N 3.11Å; G617-D622 VanDerWaalsContact C-OD2 3.25Å; G617-D622 VanDerWaalsContact CA-OD2 3.3Å; G617-D622 WeakPolarHBondContact CA-OD2 3.21Å
618Q93.7Very high92.3Very high123 Ų12330.2 Ų30.258%0.57517%0.166SC*.SBendtrans-117.8-18.9-171.7-56.1-55.7-44.900114.9D622Q618-D622 PolarHBondContact N-OD2 3.13Å
619T95.1Very high92.5Very high68 Ų6835 Ų3542%0.41718%0.181SC..SBendtrans-76.3170179.584.80000111.9K437 C621 D622K437-T619 WeakPolarHBondContact CD-O 3.34Å; K437-T619 WeakPolarHBondContact CE-O 3.49Å; K437-T619 WeakPolarHBondContact CG-O 3.25Å; T619-C621 VanDerWaalsContact C-N 3.26Å; T619-C621 PolarHBondContact O-N 2.87Å; T619-C621 PolarHBondContact OG1-N 2.62Å; T619-D622 WeakPolarHBondContact CB-OD2 3.5Å; T619-D622 WeakPolarHBondContact CG2-OD2 3.3Å; T619-D622 PolarHBondContact N-OD2 3.25Å; T619-D622 PolarHBondContact O-N 2.87Å; T619-D622 PolarHBondContact OG1-N 3.37Å; T619-D622 PolarHBondContact OG1-OD1 3.31Å; T619-D622 PolarHBondContact OG1-OD2 3.21Å
620Y95.7Very high92.4Very high15 Ų1533.9 Ų33.96%0.05918%0.179CC..THydrogen-bonded Turntrans-69.3-22.7174.7-58.9-27.4000113.8A436 F440 H468 R471 L472 L475 D622A436-Y620 HydrophobicContact CB-CD1 4.45Å; A436-Y620 HydrophobicContact CB-CE1 3.81Å; F440-Y620 HydrophobicContact CB-CD2 4.37Å; F440-Y620 HydrophobicContact CB-CG 4.16Å; F440-Y620 HydrophobicContact CD2-CD2 4.5Å; F440-Y620 HydrophobicContact CG-CD2 4.37Å; F440-Y620 HydrophobicContact CG-CG 4.32Å; H468-Y620 WeakPolarHBondContact CA-OH 3.32Å; H468-Y620 AromaticContact ND1-CE1 3.55Å; H468-Y620 AromaticContact ND1-CZ 3.74Å; H468-Y620 PolarHBondContact ND1-OH 3.38Å; H468-Y620 PolarHBondContact O-OH 3.45Å; R471-Y620 HydrophobicContact CB-CE2 4.18Å; L472-Y620 HydrophobicContact CD2-CD2 3.86Å; L472-Y620 HydrophobicContact CD2-CE2 3.58Å; L472-Y620 HydrophobicContact CD2-CG 4.5Å; L472-Y620 HydrophobicContact CG-CE2 4.02Å; L475-Y620 HydrophobicContact CD1-CD2 3.93Å; L475-Y620 HydrophobicContact CD1-CE2 4.13Å; Y620-D622 VanDerWaalsContact C-N 3.33Å
621C93.9Very high92.2Very high29 Ų2933.1 Ų33.120%0.19617%0.174CC..THydrogen-bonded Turntrans-81.9-13.9178.3-58.60000112.9T284 T619 L623T284-C621 HydrophobicContact CG2-CB 4.29Å; T619-C621 VanDerWaalsContact C-N 3.26Å; T619-C621 PolarHBondContact O-N 2.87Å; T619-C621 PolarHBondContact OG1-N 2.62Å; C621-L623 PolarHBondContact O-N 3.16Å
622D95.4Very high92.1Very high38 Ų3832.6 Ų32.620%0.20317%0.171CC..  trans-81.149.5-174.8-59.2-13.1000112K437 G615 T616 G617 Q618 T619 Y620K437-D622 WeakPolarHBondContact CD-O 3.21Å; K437-D622 PolarHBondContact NZ-O 3.07Å; G615-D622 WeakPolarHBondContact CA-O 3.45Å; T616-D622 PolarHBondContact N-O 3.35Å; G617-D622 VanDerWaalsContact C-OD2 3.25Å; G617-D622 VanDerWaalsContact CA-OD2 3.3Å; G617-D622 WeakPolarHBondContact CA-OD2 3.21Å; Q618-D622 PolarHBondContact N-OD2 3.13Å; T619-D622 WeakPolarHBondContact CB-OD2 3.5Å; T619-D622 WeakPolarHBondContact CG2-OD2 3.3Å; T619-D622 PolarHBondContact N-OD2 3.25Å; T619-D622 PolarHBondContact O-N 2.87Å; T619-D622 PolarHBondContact OG1-N 3.37Å; T619-D622 PolarHBondContact OG1-OD1 3.31Å; T619-D622 PolarHBondContact OG1-OD2 3.21Å; Y620-D622 VanDerWaalsContact C-N 3.33Å
623L94.7Very high91.9Very high8 Ų834.1 Ų34.14%0.04219%0.186CC..EExtended strand (participates in β ladder)trans-130.8132.9179.9-162.172.4000109.3L290 K437 I438 W441 F613 V614 C621L290-L623 HydrophobicContact CD2-CB 4.4Å; L290-L623 HydrophobicContact CD2-CD2 4.24Å; L290-L623 HydrophobicContact CD2-CG 4.12Å; K437-L623 HydrophobicContact CB-CB 4.31Å; K437-L623 HydrophobicContact CB-CD1 4.2Å; K437-L623 HydrophobicContact CB-CD2 4.19Å; K437-L623 HydrophobicContact CB-CG 4.48Å; K437-L623 HydrophobicContact CD-CB 4.26Å; K437-L623 HydrophobicContact CD-CD1 4.17Å; I438-L623 HydrophobicContact CG1-CD1 4.47Å; I438-L623 HydrophobicContact CG1-CD2 3.83Å; W441-L623 HydrophobicContact CB-CD2 4.22Å; F613-L623 HydrophobicContact CB-CD1 3.85Å; F613-L623 HydrophobicContact CB-CG 4.34Å; F613-L623 HydrophobicContact CD1-CD2 4.16Å; F613-L623 HydrophobicContact CD1-CG 4.31Å; F613-L623 HydrophobicContact CG-CD1 4.31Å; F613-L623 HydrophobicContact CG-CD2 4.43Å; F613-L623 HydrophobicContact CG-CG 4.47Å; V614-L623 WeakPolarHBondContact O-CA 3.43Å; C621-L623 PolarHBondContact O-N 3.16Å
624R92.4Very high91.5Very high68 Ų6834.5 Ų34.526%0.25719%0.191SC..EExtended strand (participates in β ladder)trans-138.1156.1-173.4-62.4-65-174.5-131.221.9111.8Q291 L293 V614 T616Q291-R624 WeakPolarHBondContact O-CA 3.31Å; Q291-R624 WeakPolarHBondContact O-CD 3.46Å; Q291-R624 VanDerWaalsContact OE1-CZ 3.24Å; L293-R624 HydrophobicContact CB-CB 4.21Å; L293-R624 HydrophobicContact CD1-CB 4.24Å; L293-R624 HydrophobicContact CD1-CG 4.28Å; V614-R624 HydrophobicContact CB-CB 4.41Å; V614-R624 PolarHBondContact N-O 3.33Å; V614-R624 PolarHBondContact O-N 3.16Å; T616-R624 HydrophobicContact CG2-CB 4.43Å; T616-R624 HydrophobicContact CG2-CG 3.85Å
625S90.1Very high91.2Very high27 Ų2734.5 Ų34.519%0.18919%0.191CC..BIsolated β-bridgetrans-84147.8164.736.70000111.1Q291 D292 L293 N627Q291-S625 PolarHBondContact O-N 3.38Å; Q291-S625 PolarHBondContact O-OG 3.31Å; D292-S625 WeakPolarHBondContact CA-OG 3.44Å; D292-S625 VanDerWaalsContact OD1-CB 3.3Å; D292-S625 WeakPolarHBondContact OD1-CB 3.45Å; D292-S625 PolarHBondContact OD1-OG 3.11Å; L293-S625 VanDerWaalsContact CB-O 3.24Å; L293-S625 WeakPolarHBondContact CB-O 3.35Å; L293-S625 PolarHBondContact N-O 3.23Å; S625-N627 PolarHBondContact O-N 3.42Å
626L86.9Confident90.8Very high28 Ų2834.8 Ų34.815%0.14719%0.192CC..  trans-78103.9-178.5-174.494.4000111.5L293 L397 I611 V614 A628 V631L293-L626 HydrophobicContact CD2-CD1 4.49Å; L397-L626 HydrophobicContact CB-CD2 4.33Å; L397-L626 HydrophobicContact CD1-CD2 4.38Å; L397-L626 HydrophobicContact CD2-CD2 4.08Å; I611-L626 HydrophobicContact CB-CB 4.41Å; I611-L626 HydrophobicContact CB-CD1 4.45Å; I611-L626 HydrophobicContact CB-CD2 4.21Å; I611-L626 HydrophobicContact CD1-CD1 4.05Å; I611-L626 HydrophobicContact CD1-CD2 4.19Å; I611-L626 HydrophobicContact CG2-CB 4.38Å; I611-L626 HydrophobicContact CG2-CD1 4.32Å; V614-L626 HydrophobicContact CG2-CB 4.02Å; V614-L626 HydrophobicContact CG2-CD1 3.7Å; V614-L626 HydrophobicContact CG2-CG 4.5Å; L626-A628 PolarHBondContact O-N 3.41Å; L626-V631 HydrophobicContact CD1-CG2 3.93Å; L626-V631 HydrophobicContact CG-CG2 4.42Å
627N86.3Confident90.3Very high41 Ų4138.2 Ų38.222%0.21920%0.204CC..  trans-75.589.5166.3-174.4-15.1000110.5D292 L293 S625 K629 A630 V631D292-N627 HydrophobicContact CB-CB 4.19Å; L293-N627 WeakPolarHBondContact O-CB 3.47Å; S625-N627 PolarHBondContact O-N 3.42Å; N627-K629 PolarHBondContact O-N 3.37Å; N627-K629 VanDerWaalsContact O-N 3.08Å; N627-K629 PolarHBondContact OD1-N 3.43Å; N627-A630 HydrophobicContact CB-CB 3.96Å; N627-A630 PolarHBondContact O-N 3.32Å; N627-A630 VanDerWaalsContact O-N 3.09Å; N627-A630 PolarHBondContact OD1-N 2.95Å; N627-A630 VanDerWaalsContact OD1-N 3.15Å; N627-V631 WeakPolarHBondContact O-CG2 3.49Å; N627-V631 PolarHBondContact O-N 3.23Å
628A88.4Confident88.6Confident5 Ų543.8 Ų43.84%0.04125%0.248CC..Hα-helixtrans-51.9-32.2179.200000114L397 Q398 L626 V632L397-A628 HydrophobicContact CB-CB 3.61Å; L397-A628 HydrophobicContact CD1-CB 4.16Å; Q398-A628 HydrophobicContact CG-CB 3.74Å; L626-A628 PolarHBondContact O-N 3.41Å; A628-V632 WeakPolarHBondContact O-CG2 3.36Å; A628-V632 PolarHBondContact O-N 3.03Å
629K88.5Confident88.4Confident144 Ų14439.8 Ų39.863%0.62623%0.232SC*.Hα-helixtrans-74.3-42.6178.5-70.6-174.8177.1-178.20112N627 A633N627-K629 PolarHBondContact O-N 3.37Å; N627-K629 VanDerWaalsContact O-N 3.08Å; N627-K629 PolarHBondContact OD1-N 3.43Å; K629-A633 VanDerWaalsContact O-CB 3.3Å; K629-A633 WeakPolarHBondContact O-CB 3.49Å; K629-A633 PolarHBondContact O-N 3.19Å
630A86.2Confident88Confident17 Ų1738.3 Ų38.314%0.1422%0.222CC..Hα-helixtrans-64.5-43.3176.500000111.5C295 N627 V632 A633 A634C295-A630 HydrophobicContact CB-CB 4.15Å; N627-A630 HydrophobicContact CB-CB 3.96Å; N627-A630 PolarHBondContact O-N 3.32Å; N627-A630 VanDerWaalsContact O-N 3.09Å; N627-A630 PolarHBondContact OD1-N 2.95Å; N627-A630 VanDerWaalsContact OD1-N 3.15Å; A630-V632 PolarHBondContact O-N 2.81Å; A630-A633 PolarHBondContact O-N 3.32Å; A630-A634 PolarHBondContact O-N 2.88Å
631V88.4Confident87.6Confident0 Ų039.6 Ų39.60%023%0.231CC..Hα-helixtrans-59.9-46.8177.1173.80000111.4L293 L397 V597 A600 L626 N627 A634 L635L293-V631 HydrophobicContact CD2-CG2 3.84Å; L397-V631 HydrophobicContact CD1-CB 3.9Å; L397-V631 HydrophobicContact CD1-CG1 3.65Å; V597-V631 HydrophobicContact CB-CG1 4.05Å; V597-V631 HydrophobicContact CG2-CG1 3.78Å; A600-V631 HydrophobicContact CB-CG1 4.47Å; L626-V631 HydrophobicContact CD1-CG2 3.93Å; L626-V631 HydrophobicContact CG-CG2 4.42Å; N627-V631 WeakPolarHBondContact O-CG2 3.49Å; N627-V631 PolarHBondContact O-N 3.23Å; V631-A634 PolarHBondContact O-N 2.98Å; V631-L635 VanDerWaalsContact O-CB 3.3Å; V631-L635 WeakPolarHBondContact O-CB 3.49Å; V631-L635 PolarHBondContact O-N 3.27Å
632V91.1Very high87.2Confident0 Ų040.2 Ų40.20%023%0.234CC..Hα-helixtrans-70.2-34.3176.9-179.90000111.8Q390 L393 V394 L397 I601 A628 A630 A634 L635 M636Q390-V632 HydrophobicContact CB-CG1 4.31Å; Q390-V632 HydrophobicContact CG-CG1 3.87Å; L393-V632 HydrophobicContact CB-CB 4.5Å; L393-V632 HydrophobicContact CB-CG1 3.77Å; L393-V632 HydrophobicContact CB-CG2 3.79Å; L393-V632 HydrophobicContact CD1-CG1 4.08Å; V394-V632 HydrophobicContact CG2-CB 3.91Å; V394-V632 HydrophobicContact CG2-CG1 4.15Å; V394-V632 HydrophobicContact CG2-CG2 3.84Å; L397-V632 HydrophobicContact CD1-CG2 3.8Å; I601-V632 HydrophobicContact CD1-CG2 4.42Å; A628-V632 WeakPolarHBondContact O-CG2 3.36Å; A628-V632 PolarHBondContact O-N 3.03Å; A630-V632 PolarHBondContact O-N 2.81Å; V632-A634 PolarHBondContact O-N 3.37Å; V632-L635 PolarHBondContact O-N 3.41Å; V632-M636 HydrophobicContact CG1-CG 3.87Å; V632-M636 VanDerWaalsContact O-CB 3.29Å; V632-M636 WeakPolarHBondContact O-CB 3.34Å; V632-M636 WeakPolarHBondContact O-CG 3.39Å; V632-M636 PolarHBondContact O-N 2.97Å
633A88.3Confident86.7Confident53 Ų5340.4 Ų40.444%0.43824%0.235SC..Hα-helixtrans-62.5-42.517500000112.2K629 A630 M636 K637K629-A633 VanDerWaalsContact O-CB 3.3Å; K629-A633 WeakPolarHBondContact O-CB 3.49Å; K629-A633 PolarHBondContact O-N 3.19Å; A630-A633 PolarHBondContact O-N 3.32Å; A633-M636 PolarHBondContact O-N 3.35Å; A633-K637 PolarHBondContact O-N 3.44Å
634A87.2Confident86.2Confident13 Ų1342.5 Ų42.511%0.10725%0.248CC..Hα-helixtrans-67.6-43.3174.700000112.3C295 A630 V631 V632 M636 K637C295-A634 HydrophobicContact CB-CB 3.68Å; A630-A634 PolarHBondContact O-N 2.88Å; V631-A634 PolarHBondContact O-N 2.98Å; V632-A634 PolarHBondContact O-N 3.37Å; A634-M636 VanDerWaalsContact C-N 3.28Å; A634-M636 PolarHBondContact O-N 2.87Å; A634-K637 WeakPolarHBondContact O-CB 3.5Å; A634-K637 PolarHBondContact O-N 3.21Å; A634-K637 VanDerWaalsContact O-N 3.14Å
635L88.7Confident85.7Confident0 Ų040.7 Ų40.70%025%0.248CC..Hα-helixtrans-57.7-41174.8-177.559.5000112H348 L349 K352 V354 L393 V597 I601 V631 V632H348-L635 PolarHBondContact CE1-O 3.39Å; L349-L635 HydrophobicContact CD2-CD1 4.14Å; L349-L635 HydrophobicContact CD2-CD2 3.92Å; L349-L635 HydrophobicContact CD2-CG 3.94Å; K352-L635 HydrophobicContact CB-CD1 3.4Å; K352-L635 HydrophobicContact CG-CD1 4.04Å; V354-L635 HydrophobicContact CG2-CD1 4.1Å; V354-L635 HydrophobicContact CG2-CD2 4.37Å; L393-L635 HydrophobicContact CD1-CD2 4.13Å; L393-L635 HydrophobicContact CD2-CD2 4.18Å; V597-L635 HydrophobicContact CG2-CB 3.75Å; V597-L635 HydrophobicContact CG2-CD1 4.2Å; V597-L635 HydrophobicContact CG2-CG 4.46Å; I601-L635 HydrophobicContact CD1-CD2 3.89Å; I601-L635 HydrophobicContact CG1-CD2 3.55Å; V631-L635 VanDerWaalsContact O-CB 3.3Å; V631-L635 WeakPolarHBondContact O-CB 3.49Å; V631-L635 PolarHBondContact O-N 3.27Å; V632-L635 PolarHBondContact O-N 3.41Å
636M88.1Confident85.4Confident5 Ų541.8 Ų41.83%0.02525%0.252CS..THydrogen-bonded Turntrans-88.63.1-179.4-59.5-58.7-69.200113.5M345 L349 K386 L389 Q390 L393 V632 A633 A634M345-M636 HydrophobicContact SD-CE 4.13Å; L349-M636 HydrophobicContact CD2-SD 4.38Å; K386-M636 HydrophobicContact CD-CE 4.42Å; K386-M636 VanDerWaalsContact CE-O 3.27Å; K386-M636 WeakPolarHBondContact CE-O 3.41Å; K386-M636 HydrophobicContact CG-CE 3.59Å; K386-M636 PolarHBondContact NZ-O 3.15Å; L389-M636 HydrophobicContact CB-CE 4.46Å; L389-M636 HydrophobicContact CD2-CE 3.93Å; L389-M636 HydrophobicContact CD2-SD 4.41Å; L389-M636 HydrophobicContact CG-CE 4.13Å; L389-M636 HydrophobicContact CG-SD 4.45Å; Q390-M636 HydrophobicContact CB-CG 4.41Å; L393-M636 HydrophobicContact CD1-CG 4.29Å; L393-M636 HydrophobicContact CD1-SD 3.64Å; V632-M636 HydrophobicContact CG1-CG 3.87Å; V632-M636 VanDerWaalsContact O-CB 3.29Å; V632-M636 WeakPolarHBondContact O-CB 3.34Å; V632-M636 WeakPolarHBondContact O-CG 3.39Å; V632-M636 PolarHBondContact O-N 2.97Å; A633-M636 PolarHBondContact O-N 3.35Å; A634-M636 VanDerWaalsContact C-N 3.28Å; A634-M636 PolarHBondContact O-N 2.87Å
637K83.4Confident85.3Confident108 Ų10842.9 Ų42.947%0.4726%0.261SS..  trans-73.9125.9167.3-169.2175.7174-179.50107.9S297 H348 K352 A633 A634S297-K637 PolarHBondContact OG-NZ 3.43Å; H348-K637 PolarHBondContact CE1-O 3.34Å; H348-K637 PolarHBondContact NE2-O 2.96Å; H348-K637 VanDerWaalsContact NE2-O 3.09Å; K352-K637 WeakPolarHBondContact CE-O 3.26Å; K352-K637 PolarHBondContact NZ-O 3.4Å; A633-K637 PolarHBondContact O-N 3.44Å; A634-K637 WeakPolarHBondContact O-CB 3.5Å; A634-K637 PolarHBondContact O-N 3.21Å; A634-K637 VanDerWaalsContact O-N 3.14Å
638A58.8Low85.2Confident129 Ų12943.1 Ų43.1100%1.06627%0.265SS*.  trans-71.90176.400000109.1

Retrieved 638 of 638 residues in 918.3 ms (Link to these results)

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