A0A087Y9P2_POEFO Loading...

Dynein axonemal assembly factor 4

AlphaFold DB , UniProt , Accession A0A087Y9P2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 409 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
1M60.2Low85.5Confident223 Ų22392.2 Ų92.2100%1.09948%0.484SS*.  0133.80-66.417888.600107.4
2P77.2Confident86.2Confident58 Ų5888.8 Ų88.838%0.37746%0.464SS..PPolyproline II helixtrans-65.2145.7177.426.2-31.6000111P46 L48P2-P46 CarbonylContact C-O 3.53Å; P2-P46 VanDerWaalsContact CA-O 3.3Å; P2-P46 WeakPolarHBondContact CA-O 3.32Å; P2-L48 HydrophobicContact CB-CB 3.73Å; P2-L48 HydrophobicContact CB-CD2 4.31Å; P2-L48 HydrophobicContact CG-CB 4.22Å; P2-L48 HydrophobicContact CG-CD2 3.87Å
3L86.9Confident86.6Confident96 Ų9686.9 Ų86.950%0.50346%0.459SS..EExtended strand (participates in β ladder)trans-84.4121.9178.2-65.1176.8000109.4V5 P46 F47 L48L3-V5 PolarHBondContact O-N 2.82Å; L3-P46 HydrophobicContact CD1-CG 4.18Å; L3-P46 PolarHBondContact N-O 3.2Å; L3-F47 HydrophobicContact CB-CD1 3.7Å; L3-F47 HydrophobicContact CB-CE1 4.02Å; L3-F47 HydrophobicContact CD1-CD1 4.37Å; L3-F47 HydrophobicContact CD1-CE1 3.9Å; L3-F47 HydrophobicContact CD1-CZ 4.44Å; L3-F47 CarbonylContact O-C 3.51Å; L3-F47 WeakPolarHBondContact O-CA 3.28Å; L3-L48 PolarHBondContact O-N 3Å
4H86Confident86.8Confident120 Ų12086.9 Ų86.956%0.55646%0.459SS*.EExtended strand (participates in β ladder)trans-74.1131.3-178-67.577.5000110.9T6 L48H4-T6 PolarHBondContact O-N 3.49Å; H4-L48 CarbonylContact C-O 3.54Å; H4-L48 VanDerWaalsContact CA-O 3.26Å; H4-L48 WeakPolarHBondContact CA-O 3.34Å
5V86.6Confident87.1Confident7 Ų784.3 Ų84.34%0.04245%0.451CS..PPolyproline II helixtrans-80.1116.1175.6-1750000108.6L3 D7 V21 P22 F44 F47 L48 F49L3-V5 PolarHBondContact O-N 2.82Å; V5-D7 WeakPolarHBondContact CG1-OD1 3.48Å; V5-V21 HydrophobicContact CG1-CG1 4.08Å; V5-P22 HydrophobicContact CG1-CG 4.39Å; V5-F44 HydrophobicContact CG2-CE1 3.84Å; V5-F44 HydrophobicContact CG2-CZ 3.57Å; V5-F47 HydrophobicContact CG2-CB 3.78Å; V5-F47 HydrophobicContact CG2-CD1 4.47Å; V5-F47 HydrophobicContact CG2-CG 4.45Å; V5-L48 PolarHBondContact N-O 2.93Å; V5-F49 HydrophobicContact CB-CB 4.12Å; V5-F49 HydrophobicContact CB-CD2 4.46Å; V5-F49 HydrophobicContact CG2-CB 4.33Å
6T84.4Confident87.4Confident115 Ų11580.7 Ų80.771%0.70643%0.433SS*.  trans-108.6-12.3-179.957.20000112.9H4 Y8H4-T6 PolarHBondContact O-N 3.49Å; T6-Y8 PolarHBondContact O-N 3.3Å
7D88.1Confident87.8Confident74 Ų7475.9 Ų75.940%0.39641%0.407SS..  trans-84.726.5-177.349.6-42.3000113.7V5 P22 K24V5-D7 WeakPolarHBondContact CG1-OD1 3.48Å; D7-P22 HydrophobicContact CB-CG 4.17Å; D7-P22 VanDerWaalsContact CG-CG 3.5Å; D7-P22 WeakPolarHBondContact O-CD 3.48Å; D7-P22 WeakPolarHBondContact O-CG 3.22Å; D7-P22 WeakPolarHBondContact OD2-CG 3.49Å; D7-K24 IonicContact OD1-NZ 3.16Å; D7-K24 PolarHBondContact OD1-NZ 2.88Å; D7-K24 WeakPolarHBondContact OD2-CE 3.41Å; D7-K24 IonicContact OD2-NZ 2.79Å
8Y91.2Very high88.1Confident63 Ų6374.9 Ų74.925%0.24740%0.4CS..  trans-81.9151.2177.470-86.5000111.6T6 S20 F49 L86 M87T6-Y8 PolarHBondContact O-N 3.3Å; Y8-S20 WeakPolarHBondContact CA-O 3.44Å; Y8-F49 HydrophobicContact CD1-CD2 4.05Å; Y8-F49 AromaticContact CD1-CE2 3.43Å; Y8-F49 HydrophobicContact CD1-CE2 3.43Å; Y8-F49 VanDerWaalsContact CD1-CE2 3.43Å; Y8-F49 HydrophobicContact CD1-CZ 4.42Å; Y8-F49 HydrophobicContact CD2-CE2 4.01Å; Y8-F49 HydrophobicContact CD2-CZ 4.23Å; Y8-F49 AromaticContact CE1-CE2 3.87Å; Y8-F49 HydrophobicContact CE1-CE2 3.87Å; Y8-F49 HydrophobicContact CE2-CE2 4.4Å; Y8-F49 HydrophobicContact CG-CD2 4.32Å; Y8-F49 AromaticContact CG-CE2 3.51Å; Y8-F49 HydrophobicContact CG-CE2 3.51Å; Y8-F49 HydrophobicContact CG-CZ 4.11Å; Y8-L86 HydrophobicContact CD2-CD2 4.25Å; Y8-L86 HydrophobicContact CE2-CD2 3.71Å; Y8-M87 VanDerWaalsContact OH-CE 3.23Å; Y8-M87 WeakPolarHBondContact OH-CE 3.42Å
9T92.6Very high88.4Confident91 Ų9171.1 Ų71.156%0.55838%0.379SS*.EExtended strand (participates in β ladder)trans-123142.3173.759.30000109.5S20T9-S20 PolarHBondContact N-O 3.16Å; T9-S20 PolarHBondContact O-N 2.94Å; T9-S20 WeakPolarHBondContact OG1-CB 3.5Å
10W94.2Very high88.7Confident76 Ų7669.3 Ų69.329%0.28837%0.372SS..EExtended strand (participates in β ladder)trans-134.2148.4175.673.2-76.7000110.7Q12 V17 H18 I19 L86W10-Q12 HydrophobicContact CE3-CB 4.48Å; W10-Q12 HydrophobicContact CZ3-CB 4.09Å; W10-Q12 HydrophobicContact CZ3-CG 3.92Å; W10-V17 HydrophobicContact CE3-CG1 4.18Å; W10-H18 CarbonylContact C-O 3.58Å; W10-H18 WeakPolarHBondContact CA-O 3.42Å; W10-I19 HydrophobicContact CB-CG1 4.3Å; W10-L86 HydrophobicContact CB-CD1 4.35Å; W10-L86 HydrophobicContact CB-CD2 4.05Å; W10-L86 HydrophobicContact CD2-CB 3.86Å; W10-L86 HydrophobicContact CD2-CD1 4.11Å; W10-L86 HydrophobicContact CD2-CD2 4.49Å; W10-L86 HydrophobicContact CD2-CG 4.38Å; W10-L86 HydrophobicContact CE3-CB 4.33Å; W10-L86 HydrophobicContact CE3-CD1 4.03Å; W10-L86 HydrophobicContact CG-CB 4.12Å; W10-L86 HydrophobicContact CG-CD1 4.24Å; W10-L86 HydrophobicContact CG-CD2 3.94Å; W10-L86 HydrophobicContact CG-CG 4.33Å; W10-L86 HydrophobicContact CZ2-CB 4.22Å
11T92.9Very high88.9Confident91 Ų9166 Ų6656%0.55835%0.354SS*.EExtended strand (participates in β ladder)trans-137.3161.1175.259.70000108H18T11-H18 PolarHBondContact N-O 3.47Å; T11-H18 PolarHBondContact O-N 3.49Å; T11-H18 VanDerWaalsContact O-O 3.12Å
12Q94.1Very high90.4Very high51 Ų5156.8 Ų56.824%0.23831%0.311CS..EExtended strand (participates in β ladder)trans-145.5155.4-179.862.5177.9-25.800111.5W10 T16 V17 V82 W83W10-Q12 HydrophobicContact CE3-CB 4.48Å; W10-Q12 HydrophobicContact CZ3-CB 4.09Å; W10-Q12 HydrophobicContact CZ3-CG 3.92Å; Q12-T16 CarbonylContact C-O 3.55Å; Q12-T16 VanDerWaalsContact CA-O 3.31Å; Q12-T16 WeakPolarHBondContact CA-O 3.44Å; Q12-V17 HydrophobicContact CB-CG2 4.32Å; Q12-V82 VanDerWaalsContact NE2-CG1 3.29Å; Q12-W83 PolarHBondContact NE2-O 3.43Å
13T91.3Very high90.9Very high65 Ų6554 Ų5440%0.39929%0.293SS..  trans-109.5-178.3160.870.90000108.5S15 T16 K77T13-S15 PolarHBondContact O-N 3.15Å; T13-S15 PolarHBondContact OG1-N 3.12Å; T13-S15 PolarHBondContact OG1-OG 3.44Å; T13-T16 PolarHBondContact N-O 3.26Å; T13-T16 PolarHBondContact OG1-N 3.38Å; T13-T16 PolarHBondContact OG1-O 3.38Å; T13-T16 PolarHBondContact OG1-OG1 3.15Å; T13-K77 PolarHBondContact O-NZ 3.45Å
14D90.1Very high90.8Very high87 Ų8754.4 Ų54.447%0.46529%0.291SS..SBendtrans-61.8-27.7173.5-171.942.6000112.4H80 K81D14-H80 WeakPolarHBondContact O-CA 3.36Å; D14-K81 PolarHBondContact O-N 3.23Å
15S90.4Very high90.5Very high47 Ų4752.1 Ų52.133%0.32930%0.3SS..SBendtrans-113.7-16.5-174.159.20000115.1T13 K77 H80T13-S15 PolarHBondContact O-N 3.15Å; T13-S15 PolarHBondContact OG1-N 3.12Å; T13-S15 PolarHBondContact OG1-OG 3.44Å; S15-K77 PolarHBondContact O-N 2.83Å; S15-H80 WeakPolarHBondContact CB-ND1 3.41Å
16T92.4Very high90.3Very high27 Ų2753.2 Ų53.217%0.16631%0.31CS..EExtended strand (participates in β ladder)trans-137.6149.6-174.362.80000112.4Q12 T13 H18 L75Q12-T16 CarbonylContact C-O 3.55Å; Q12-T16 VanDerWaalsContact CA-O 3.31Å; Q12-T16 WeakPolarHBondContact CA-O 3.44Å; T13-T16 PolarHBondContact N-O 3.26Å; T13-T16 PolarHBondContact OG1-N 3.38Å; T13-T16 PolarHBondContact OG1-O 3.38Å; T13-T16 PolarHBondContact OG1-OG1 3.15Å; T16-H18 PolarHBondContact OG1-NE2 3.36Å; T16-H18 VanDerWaalsContact OG1-NE2 3.13Å; T16-L75 WeakPolarHBondContact CA-O 3.32Å
17V93.9Very high90.1Very high0 Ų052.6 Ų52.60%031%0.306CS..EExtended strand (participates in β ladder)trans-115.1132.8169.5-175.80000108.6W10 Q12 I19 L75 K77 W83 L86W10-V17 HydrophobicContact CE3-CG1 4.18Å; Q12-V17 HydrophobicContact CB-CG2 4.32Å; V17-I19 HydrophobicContact CG1-CD1 4.45Å; V17-I19 HydrophobicContact CG1-CG1 3.98Å; V17-L75 PolarHBondContact N-O 2.87Å; V17-L75 PolarHBondContact O-N 2.99Å; V17-K77 HydrophobicContact CG2-CD 4.2Å; V17-K77 HydrophobicContact CG2-CG 3.97Å; V17-W83 HydrophobicContact CB-CZ3 4.44Å; V17-W83 HydrophobicContact CG1-CZ3 4.34Å; V17-W83 HydrophobicContact CG2-CD2 4Å; V17-W83 HydrophobicContact CG2-CE3 3.76Å; V17-W83 HydrophobicContact CG2-CH2 3.87Å; V17-W83 HydrophobicContact CG2-CZ2 4.08Å; V17-W83 HydrophobicContact CG2-CZ3 3.7Å; V17-L86 HydrophobicContact CG1-CD1 3.81Å
18H93.4Very high89.9Confident58 Ų5852.1 Ų52.127%0.26931%0.312SS..EExtended strand (participates in β ladder)trans-113.9123.1174.8-58.3-78.6000109.5W10 T11 T16 F73 T74W10-H18 CarbonylContact C-O 3.58Å; W10-H18 WeakPolarHBondContact CA-O 3.42Å; T11-H18 PolarHBondContact N-O 3.47Å; T11-H18 PolarHBondContact O-N 3.49Å; T11-H18 VanDerWaalsContact O-O 3.12Å; T16-H18 PolarHBondContact OG1-NE2 3.36Å; T16-H18 VanDerWaalsContact OG1-NE2 3.13Å; H18-F73 VanDerWaalsContact CA-O 3.25Å; H18-F73 WeakPolarHBondContact CA-O 3.43Å; H18-T74 PolarHBondContact ND1-OG1 3.32Å
19I94.2Very high89.5Confident1 Ų154.1 Ų54.11%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-119.6131.5180-50.5169.1000107.7W10 V17 V21 L40 F49 L53 V72 F73 L75 L86W10-I19 HydrophobicContact CB-CG1 4.3Å; V17-I19 HydrophobicContact CG1-CD1 4.45Å; V17-I19 HydrophobicContact CG1-CG1 3.98Å; I19-V21 HydrophobicContact CG2-CG2 4.09Å; I19-L40 HydrophobicContact CD1-CD2 3.65Å; I19-F49 HydrophobicContact CG2-CE1 4.37Å; I19-F49 HydrophobicContact CG2-CZ 4.21Å; I19-L53 HydrophobicContact CD1-CD2 4.24Å; I19-V72 CarbonylContact O-C 3.59Å; I19-V72 WeakPolarHBondContact O-CA 3.38Å; I19-F73 HydrophobicContact CB-CB 4.16Å; I19-F73 HydrophobicContact CB-CD2 4.33Å; I19-F73 PolarHBondContact N-O 2.89Å; I19-F73 VanDerWaalsContact N-O 3.08Å; I19-F73 PolarHBondContact O-N 3.47Å; I19-L75 HydrophobicContact CD1-CD1 3.72Å; I19-L86 HydrophobicContact CD1-CD1 3.79Å; I19-L86 HydrophobicContact CD1-CD2 4.23Å; I19-L86 HydrophobicContact CG1-CD1 4Å; I19-L86 HydrophobicContact CG1-CD2 4.38Å
20S93.1Very high89Confident35 Ų3551.7 Ų51.725%0.24534%0.335CS..EExtended strand (participates in β ladder)trans-120.1117.1178.91760000108.9Y8 T9 V70 A71Y8-S20 WeakPolarHBondContact CA-O 3.44Å; T9-S20 PolarHBondContact N-O 3.16Å; T9-S20 PolarHBondContact O-N 2.94Å; T9-S20 WeakPolarHBondContact OG1-CB 3.5Å; S20-V70 WeakPolarHBondContact OG-CG1 3.45Å; S20-A71 WeakPolarHBondContact CA-O 3.5Å
21V93.2Very high88.8Confident0 Ų049 Ų490%033%0.327CS..EExtended strand (participates in β ladder)trans-114.3116-177.9-175.60000108.9V5 I19 L23 F49 A71 F73V5-V21 HydrophobicContact CG1-CG1 4.08Å; I19-V21 HydrophobicContact CG2-CG2 4.09Å; V21-L23 PolarHBondContact O-N 3.22Å; V21-F49 HydrophobicContact CG1-CB 4.07Å; V21-F49 HydrophobicContact CG1-CD1 4.45Å; V21-F49 HydrophobicContact CG1-CG 4.12Å; V21-F49 HydrophobicContact CG2-CD1 3.7Å; V21-F49 HydrophobicContact CG2-CD2 4.48Å; V21-F49 HydrophobicContact CG2-CE1 3.74Å; V21-F49 HydrophobicContact CG2-CG 4.07Å; V21-F49 HydrophobicContact CG2-CZ 4.16Å; V21-A71 HydrophobicContact CB-CB 4.42Å; V21-A71 PolarHBondContact N-O 2.9Å; V21-A71 PolarHBondContact O-N 2.85Å; V21-F73 HydrophobicContact CG2-CD2 4.44Å; V21-F73 HydrophobicContact CG2-CE2 4.11Å
22P91.8Very high88.7Confident30 Ų3048.1 Ų48.120%0.19532%0.319CS..EExtended strand (participates in β ladder)trans-70.9128.1177.228.2-33000110.8V5 D7 F44V5-P22 HydrophobicContact CG1-CG 4.39Å; D7-P22 HydrophobicContact CB-CG 4.17Å; D7-P22 VanDerWaalsContact CG-CG 3.5Å; D7-P22 WeakPolarHBondContact O-CD 3.48Å; D7-P22 WeakPolarHBondContact O-CG 3.22Å; D7-P22 WeakPolarHBondContact OD2-CG 3.49Å; P22-F44 WeakPolarHBondContact O-CZ 3.42Å
23L87.3Confident88.5Confident0 Ų048 Ų480%032%0.319CS..  trans-94.36.2-173.6-64174.3000113.8V21 G25 A26 V31 V42 F44 V66 G69 A71V21-L23 PolarHBondContact O-N 3.22Å; L23-G25 PolarHBondContact O-N 3.42Å; L23-A26 HydrophobicContact CB-CB 4.25Å; L23-A26 VanDerWaalsContact O-CB 3.31Å; L23-A26 WeakPolarHBondContact O-CB 3.39Å; L23-A26 PolarHBondContact O-N 3.37Å; L23-V31 HydrophobicContact CD1-CG2 3.99Å; L23-V31 HydrophobicContact CD2-CG1 4.01Å; L23-V31 HydrophobicContact CD2-CG2 4.07Å; L23-V42 HydrophobicContact CD2-CG1 3.96Å; L23-F44 HydrophobicContact CD2-CD1 3.75Å; L23-F44 HydrophobicContact CD2-CE1 3.77Å; L23-F44 HydrophobicContact CD2-CG 4.22Å; L23-F44 HydrophobicContact CD2-CZ 4.25Å; L23-F44 WeakPolarHBondContact O-CE2 3.3Å; L23-V66 HydrophobicContact CD1-CG1 3.38Å; L23-G69 WeakPolarHBondContact CB-O 3.39Å; L23-G69 PolarHBondContact N-O 3.24Å; L23-A71 HydrophobicContact CD1-CB 4.01Å; L23-A71 HydrophobicContact CD2-CB 4.01Å; L23-A71 HydrophobicContact CG-CB 4.11Å
24K84.8Confident88.5Confident105 Ų10545.4 Ų45.446%0.45730%0.303SS..THydrogen-bonded Turntrans47.537.8173.5-58.3-175.7-179.4175.70114.2D7 F44 F47D7-K24 IonicContact OD1-NZ 3.16Å; D7-K24 PolarHBondContact OD1-NZ 2.88Å; D7-K24 WeakPolarHBondContact OD2-CE 3.41Å; D7-K24 IonicContact OD2-NZ 2.79Å; K24-F44 HydrophobicContact CB-CE2 4.37Å; K24-F47 HydrophobicContact CB-CE2 4.3Å; K24-F47 HydrophobicContact CD-CD1 4.28Å; K24-F47 HydrophobicContact CD-CD2 4.37Å; K24-F47 HydrophobicContact CD-CE1 3.84Å; K24-F47 HydrophobicContact CD-CE2 3.93Å; K24-F47 HydrophobicContact CD-CZ 3.65Å
25G79.5Confident88.5Confident71 Ų7142.3 Ų42.373%0.73229%0.288SS*.THydrogen-bonded Turntrans931.7179.300000115.7L23L23-G25 PolarHBondContact O-N 3.42Å
26A82.9Confident88.5Confident31 Ų3140.4 Ų40.426%0.25628%0.275SS..  trans-70.9135.3175.200000112L23 V31 F44L23-A26 HydrophobicContact CB-CB 4.25Å; L23-A26 VanDerWaalsContact O-CB 3.31Å; L23-A26 WeakPolarHBondContact O-CB 3.39Å; L23-A26 PolarHBondContact O-N 3.37Å; A26-V31 HydrophobicContact CB-CG2 4.1Å; A26-F44 HydrophobicContact CB-CB 4.03Å; A26-F44 HydrophobicContact CB-CD2 4.09Å; A26-F44 HydrophobicContact CB-CG 4.37Å
27T81.6Confident88.4Confident102 Ų10242.7 Ų42.763%0.62628%0.284SS*.  trans-81.2152.9174.155.30000111.1A29 G30T27-A29 PolarHBondContact O-N 2.97Å; T27-G30 PolarHBondContact O-N 2.99Å
28A82.3Confident88.2Confident63 Ų6344.8 Ų44.852%0.52129%0.293SS..G310 helixtrans-50.1-35.2-17800000114.9G30 V31 V66A28-G30 VanDerWaalsContact C-N 3.26Å; A28-G30 PolarHBondContact O-N 3.2Å; A28-V31 PolarHBondContact O-N 2.99Å; A28-V66 HydrophobicContact CB-CB 4.15Å; A28-V66 HydrophobicContact CB-CG1 3.85Å
29A82.6Confident88.1Confident106 Ų10642 Ų4288%0.87628%0.281SS*.G310 helixtrans-68.5-20.2178.600000114.5T27T27-A29 PolarHBondContact O-N 2.97Å
30G83.7Confident88Confident40 Ų4042 Ų4241%0.41228%0.281SS..G310 helixtrans-100.46.2-179.400000114T27 A28T27-G30 PolarHBondContact O-N 2.99Å; A28-G30 VanDerWaalsContact C-N 3.26Å; A28-G30 PolarHBondContact O-N 3.2Å
31V90.1Very high87.9Confident19 Ų1942.1 Ų42.112%0.11528%0.277CS..  trans-108.6119-178.8-170.90000109.1L23 A26 A28 I33 V42 F44L23-V31 HydrophobicContact CD1-CG2 3.99Å; L23-V31 HydrophobicContact CD2-CG1 4.01Å; L23-V31 HydrophobicContact CD2-CG2 4.07Å; A26-V31 HydrophobicContact CB-CG2 4.1Å; A28-V31 PolarHBondContact O-N 2.99Å; V31-I33 HydrophobicContact CG1-CD1 4.07Å; V31-I33 HydrophobicContact CG1-CG1 3.7Å; V31-V42 HydrophobicContact CG1-CG1 3.53Å; V31-F44 HydrophobicContact CG2-CB 4.19Å
32D90.1Very high87.9Confident73 Ų7342.1 Ų42.139%0.3928%0.277SS..EExtended strand (participates in β ladder)trans-93115.7171.9173.129.7000109.3K41 V42 H43D32-K41 WeakPolarHBondContact OD2-CE 3.5Å; D32-K41 IonicContact OD2-NZ 2.83Å; D32-K41 PolarHBondContact OD2-NZ 2.86Å; D32-V42 WeakPolarHBondContact O-CA 3.36Å; D32-H43 HydrophobicContact CB-CB 4.24Å; D32-H43 PolarHBondContact N-O 2.96Å; D32-H43 PolarHBondContact O-N 3.46Å
33I90.8Very high87.9Confident47 Ų4743.6 Ų43.624%0.24128%0.281CS..EExtended strand (participates in β ladder)trans-116124.1-176.1-60.8-179.9000108.7V31 K41 V42 A64 V66 F73V31-I33 HydrophobicContact CG1-CD1 4.07Å; V31-I33 HydrophobicContact CG1-CG1 3.7Å; I33-K41 WeakPolarHBondContact CA-O 3.34Å; I33-V42 HydrophobicContact CG1-CG1 4.29Å; I33-A64 HydrophobicContact CD1-CB 4.44Å; I33-A64 HydrophobicContact CG2-CB 4.34Å; I33-V66 HydrophobicContact CD1-CG2 3.45Å; I33-V66 VanDerWaalsContact CD1-CG2 3.45Å; I33-F73 HydrophobicContact CD1-CE1 4.43Å; I33-F73 HydrophobicContact CD1-CZ 4.1Å; I33-F73 HydrophobicContact CG1-CZ 4.49Å; I33-F73 HydrophobicContact CG2-CE1 3.53Å; I33-F73 HydrophobicContact CG2-CZ 3.88Å
34V90.2Very high88.1Confident11 Ų1143.8 Ų43.87%0.06728%0.282CS..EExtended strand (participates in β ladder)trans-119.6116.8169.6-178.70000107.6T36 L40 K41 Q107V34-T36 HydrophobicContact CG1-CG2 4.24Å; V34-L40 CarbonylContact O-C 3.55Å; V34-L40 WeakPolarHBondContact O-CA 3.36Å; V34-K41 HydrophobicContact CB-CB 4.01Å; V34-K41 PolarHBondContact N-O 3.38Å; V34-K41 PolarHBondContact O-N 3Å; V34-Q107 HydrophobicContact CG1-CB 4.4Å; V34-Q107 HydrophobicContact CG1-CG 4.21Å
35S90Very high88.3Confident22 Ų2243.3 Ų43.315%0.15429%0.289CS..EExtended strand (participates in β ladder)trans-115.1134.3172.8-175.60000107.6
36T90Very high88.7Confident8 Ų843.4 Ų43.45%0.04928%0.277CS..  trans-144.3177.6174.5620000108.6V34 E38 Y39 D59 A103V34-T36 HydrophobicContact CG1-CG2 4.24Å; T36-E38 VanDerWaalsContact C-N 3.29Å; T36-E38 PolarHBondContact O-N 2.93Å; T36-Y39 PolarHBondContact N-O 2.97Å; T36-Y39 WeakPolarHBondContact OG1-CB 3.47Å; T36-Y39 PolarHBondContact OG1-N 3.33Å; T36-Y39 PolarHBondContact OG1-O 3.23Å; T36-D59 WeakPolarHBondContact CA-OD1 3.4Å; T36-A103 HydrophobicContact CG2-CB 3.95Å; T36-A103 WeakPolarHBondContact OG1-CB 3.44Å
37E90Very high89.1Confident75 Ų7544 Ų4435%0.3527%0.274SS..SBendtrans-58.2-34.9-176.1-53.8-166.5160.700114.4P56 V57 D59 K78E37-P56 HydrophobicContact CB-CB 4.43Å; E37-P56 CarbonylContact O-C 3.59Å; E37-P56 VanDerWaalsContact O-CA 3.25Å; E37-P56 WeakPolarHBondContact O-CA 3.41Å; E37-V57 WeakPolarHBondContact O-CG2 3.45Å; E37-V57 PolarHBondContact O-N 3.44Å; E37-D59 HydrophobicContact CG-CB 4.1Å; E37-K78 IonicContact OE1-NZ 2.82Å; E37-K78 PolarHBondContact OE1-NZ 2.83Å; E37-K78 IonicContact OE2-NZ 2.78Å; E37-K78 PolarHBondContact OE2-NZ 2.86Å
38E89.9Confident89.6Confident43 Ų4340.1 Ų40.120%0.20125%0.249CC..SBendtrans-124-2.1-175.9-68.9175.4-141.600113.4T36 F52 L53 P56 I99 R102T36-E38 VanDerWaalsContact C-N 3.29Å; T36-E38 PolarHBondContact O-N 2.93Å; E38-F52 CarbonylContact O-C 3.54Å; E38-L53 PolarHBondContact O-N 3.36Å; E38-P56 HydrophobicContact CG-CB 4.2Å; E38-I99 HydrophobicContact CB-CG2 4.13Å; E38-R102 VanDerWaalsContact CG-NH2 3.27Å; E38-R102 IonicContact OE1-CZ 3.32Å; E38-R102 IonicContact OE1-NH1 3.3Å; E38-R102 PolarHBondContact OE1-NH1 3.1Å; E38-R102 IonicContact OE1-NH2 2.66Å; E38-R102 PolarHBondContact OE1-NH2 3.19Å; E38-R102 IonicContact OE2-CZ 3.14Å; E38-R102 IonicContact OE2-NE 3.97Å; E38-R102 PolarHBondContact OE2-NE 3.34Å; E38-R102 IonicContact OE2-NH1 2.82Å; E38-R102 PolarHBondContact OE2-NH1 3.35Å; E38-R102 IonicContact OE2-NH2 2.79Å; E38-R102 PolarHBondContact OE2-NH2 2.91Å
39Y91.6Very high90.1Very high1 Ų137.3 Ų37.30%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-142.3132.5-172.3177.5-105.3000112T36 K41 E50 F52 R100 A103T36-Y39 PolarHBondContact N-O 2.97Å; T36-Y39 WeakPolarHBondContact OG1-CB 3.47Å; T36-Y39 PolarHBondContact OG1-N 3.33Å; T36-Y39 PolarHBondContact OG1-O 3.23Å; Y39-K41 HydrophobicContact CE1-CB 3.74Å; Y39-K41 HydrophobicContact CE1-CG 4.48Å; Y39-E50 HydrophobicContact CE2-CB 4.31Å; Y39-E50 HydrophobicContact CE2-CG 4.39Å; Y39-E50 WeakPolarHBondContact OH-CG 3.45Å; Y39-E50 PolarHBondContact OH-OE1 3.22Å; Y39-F52 AromaticContact CD2-CD1 3.72Å; Y39-F52 HydrophobicContact CD2-CD1 3.72Å; Y39-F52 AromaticContact CD2-CE1 3.57Å; Y39-F52 HydrophobicContact CD2-CE1 3.57Å; Y39-F52 HydrophobicContact CD2-CG 4.43Å; Y39-F52 HydrophobicContact CD2-CZ 4.19Å; Y39-F52 HydrophobicContact CE2-CD1 4.24Å; Y39-F52 AromaticContact CE2-CE1 3.69Å; Y39-F52 HydrophobicContact CE2-CE1 3.69Å; Y39-F52 AromaticContact CE2-CZ 3.86Å; Y39-F52 HydrophobicContact CE2-CZ 3.86Å; Y39-R100 HydrophobicContact CE1-CG 4.29Å; Y39-R100 HydrophobicContact CE2-CG 4.33Å; Y39-A103 HydrophobicContact CD1-CB 3.7Å; Y39-A103 HydrophobicContact CG-CB 3.98Å
40L92.1Very high90.5Very high0 Ų034.1 Ų34.10%019%0.192CC..EExtended strand (participates in β ladder)trans-125.8126177179.165.3000109.8I19 V34 F49 E50 A51 F73 L75I19-L40 HydrophobicContact CD1-CD2 3.65Å; V34-L40 CarbonylContact O-C 3.55Å; V34-L40 WeakPolarHBondContact O-CA 3.36Å; L40-F49 HydrophobicContact CD2-CE1 4.01Å; L40-F49 HydrophobicContact CG-CE1 4.41Å; L40-E50 WeakPolarHBondContact O-CA 3.31Å; L40-A51 HydrophobicContact CB-CB 4.34Å; L40-A51 PolarHBondContact N-O 3.37Å; L40-A51 PolarHBondContact O-N 3.13Å; L40-F73 HydrophobicContact CD1-CD1 3.76Å; L40-F73 HydrophobicContact CD1-CE1 3.6Å; L40-F73 HydrophobicContact CD1-CG 4.39Å; L40-F73 HydrophobicContact CD1-CZ 4.11Å; L40-F73 HydrophobicContact CD2-CD1 4.24Å; L40-F73 HydrophobicContact CD2-CD2 4.11Å; L40-F73 HydrophobicContact CD2-CE2 4.42Å; L40-F73 HydrophobicContact CD2-CG 4.04Å; L40-L75 HydrophobicContact CD2-CD1 4.45Å
41K92.5Very high90.8Very high37 Ų3732.2 Ų32.216%0.16117%0.173CC..EExtended strand (participates in β ladder)trans-122.3133.5175.6-163.9-167.882.1-1780109.8D32 I33 V34 Y39 L48 F49 E50D32-K41 WeakPolarHBondContact OD2-CE 3.5Å; D32-K41 IonicContact OD2-NZ 2.83Å; D32-K41 PolarHBondContact OD2-NZ 2.86Å; I33-K41 WeakPolarHBondContact CA-O 3.34Å; V34-K41 HydrophobicContact CB-CB 4.01Å; V34-K41 PolarHBondContact N-O 3.38Å; V34-K41 PolarHBondContact O-N 3Å; Y39-K41 HydrophobicContact CE1-CB 3.74Å; Y39-K41 HydrophobicContact CE1-CG 4.48Å; K41-L48 HydrophobicContact CD-CD1 4.24Å; K41-L48 HydrophobicContact CG-CD1 3.76Å; K41-F49 CarbonylContact C-O 3.55Å; K41-F49 WeakPolarHBondContact CA-O 3.48Å; K41-E50 HydrophobicContact CG-CG 4.43Å
42V92.9Very high90.8Very high0 Ų032.1 Ų32.10%017%0.171CC..EExtended strand (participates in β ladder)trans-130.4111.5168.2-172.60000108.1L23 V31 D32 I33 F44 F49 F73L23-V42 HydrophobicContact CD2-CG1 3.96Å; V31-V42 HydrophobicContact CG1-CG1 3.53Å; D32-V42 WeakPolarHBondContact O-CA 3.36Å; I33-V42 HydrophobicContact CG1-CG1 4.29Å; V42-F44 HydrophobicContact CG1-CD1 4.05Å; V42-F44 HydrophobicContact CG1-CE1 4.28Å; V42-F49 HydrophobicContact CB-CB 4.13Å; V42-F49 HydrophobicContact CB-CD1 4.37Å; V42-F49 HydrophobicContact CG2-CD1 4.06Å; V42-F49 PolarHBondContact N-O 3.44Å; V42-F49 PolarHBondContact O-N 3.4Å; V42-F73 HydrophobicContact CG2-CE1 4.39Å; V42-F73 HydrophobicContact CG2-CE2 3.64Å; V42-F73 HydrophobicContact CG2-CZ 3.34Å
43H91.9Very high90.9Very high61 Ų6128.8 Ų28.828%0.28215%0.153SC..EExtended strand (participates in β ladder)trans-115.4123.3-177.7175.7-111.2000110.1D32 F47 L48D32-H43 HydrophobicContact CB-CB 4.24Å; D32-H43 PolarHBondContact N-O 2.96Å; D32-H43 PolarHBondContact O-N 3.46Å; H43-F47 PolarHBondContact CD2-O 3.06Å; H43-L48 HydrophobicContact CB-CD1 3.89Å
44F91.6Very high90.8Very high4 Ų429.5 Ų29.52%0.01815%0.154CC..EExtended strand (participates in β ladder)trans-144.4100.9176.954.6-79000107.7V5 P22 L23 K24 A26 V31 V42 F47V5-F44 HydrophobicContact CG2-CE1 3.84Å; V5-F44 HydrophobicContact CG2-CZ 3.57Å; P22-F44 WeakPolarHBondContact O-CZ 3.42Å; L23-F44 HydrophobicContact CD2-CD1 3.75Å; L23-F44 HydrophobicContact CD2-CE1 3.77Å; L23-F44 HydrophobicContact CD2-CG 4.22Å; L23-F44 HydrophobicContact CD2-CZ 4.25Å; L23-F44 WeakPolarHBondContact O-CE2 3.3Å; K24-F44 HydrophobicContact CB-CE2 4.37Å; A26-F44 HydrophobicContact CB-CB 4.03Å; A26-F44 HydrophobicContact CB-CD2 4.09Å; A26-F44 HydrophobicContact CB-CG 4.37Å; V31-F44 HydrophobicContact CG2-CB 4.19Å; V42-F44 HydrophobicContact CG1-CD1 4.05Å; V42-F44 HydrophobicContact CG1-CE1 4.28Å; F44-F47 CarbonylContact C-O 3.55Å; F44-F47 HydrophobicContact CD1-CB 4.33Å; F44-F47 HydrophobicContact CD2-CB 3.79Å; F44-F47 AromaticContact CD2-CD2 3.79Å; F44-F47 HydrophobicContact CD2-CD2 3.79Å; F44-F47 HydrophobicContact CD2-CG 4.2Å; F44-F47 HydrophobicContact CE1-CB 4.01Å; F44-F47 HydrophobicContact CE2-CB 3.41Å; F44-F47 VanDerWaalsContact CE2-CB 3.41Å; F44-F47 AromaticContact CE2-CD2 3.47Å; F44-F47 HydrophobicContact CE2-CD2 3.47Å; F44-F47 VanDerWaalsContact CE2-CD2 3.47Å; F44-F47 HydrophobicContact CE2-CE2 4.46Å; F44-F47 AromaticContact CE2-CG 3.66Å; F44-F47 HydrophobicContact CE2-CG 3.66Å; F44-F47 HydrophobicContact CG-CB 4.24Å; F44-F47 HydrophobicContact CZ-CB 3.54Å; F44-F47 HydrophobicContact CZ-CD2 4.36Å; F44-F47 HydrophobicContact CZ-CG 4.12Å; F44-F47 PolarHBondContact N-O 3.03Å; F44-F47 WeakPolarHBondContact O-CA 3.43Å; F44-F47 WeakPolarHBondContact O-CB 3.47Å; F44-F47 PolarHBondContact O-N 2.97Å
45P87.9Confident90.7Very high95 Ų9530.7 Ų30.762%0.61716%0.159SC*.THydrogen-bonded Turntrans-51.9132.9-168.3-29.133.9000113.5
46P88.6Confident90.7Very high73 Ų7331.6 Ų31.647%0.47416%0.164SC..THydrogen-bonded Turncis-89.18.83.636.8-37.7000115.2P2 L3P2-P46 CarbonylContact C-O 3.53Å; P2-P46 VanDerWaalsContact CA-O 3.3Å; P2-P46 WeakPolarHBondContact CA-O 3.32Å; L3-P46 HydrophobicContact CD1-CG 4.18Å; L3-P46 PolarHBondContact N-O 3.2Å
47F91.6Very high90.7Very high45 Ų4531.2 Ų31.220%0.19716%0.162CC..EExtended strand (participates in β ladder)trans-92.6149-171.7-57.5-79.7000113.8L3 V5 K24 H43 F44L3-F47 HydrophobicContact CB-CD1 3.7Å; L3-F47 HydrophobicContact CB-CE1 4.02Å; L3-F47 HydrophobicContact CD1-CD1 4.37Å; L3-F47 HydrophobicContact CD1-CE1 3.9Å; L3-F47 HydrophobicContact CD1-CZ 4.44Å; L3-F47 CarbonylContact O-C 3.51Å; L3-F47 WeakPolarHBondContact O-CA 3.28Å; V5-F47 HydrophobicContact CG2-CB 3.78Å; V5-F47 HydrophobicContact CG2-CD1 4.47Å; V5-F47 HydrophobicContact CG2-CG 4.45Å; K24-F47 HydrophobicContact CB-CE2 4.3Å; K24-F47 HydrophobicContact CD-CD1 4.28Å; K24-F47 HydrophobicContact CD-CD2 4.37Å; K24-F47 HydrophobicContact CD-CE1 3.84Å; K24-F47 HydrophobicContact CD-CE2 3.93Å; K24-F47 HydrophobicContact CD-CZ 3.65Å; H43-F47 PolarHBondContact CD2-O 3.06Å; F44-F47 CarbonylContact C-O 3.55Å; F44-F47 HydrophobicContact CD1-CB 4.33Å; F44-F47 HydrophobicContact CD2-CB 3.79Å; F44-F47 AromaticContact CD2-CD2 3.79Å; F44-F47 HydrophobicContact CD2-CD2 3.79Å; F44-F47 HydrophobicContact CD2-CG 4.2Å; F44-F47 HydrophobicContact CE1-CB 4.01Å; F44-F47 HydrophobicContact CE2-CB 3.41Å; F44-F47 VanDerWaalsContact CE2-CB 3.41Å; F44-F47 AromaticContact CE2-CD2 3.47Å; F44-F47 HydrophobicContact CE2-CD2 3.47Å; F44-F47 VanDerWaalsContact CE2-CD2 3.47Å; F44-F47 HydrophobicContact CE2-CE2 4.46Å; F44-F47 AromaticContact CE2-CG 3.66Å; F44-F47 HydrophobicContact CE2-CG 3.66Å; F44-F47 HydrophobicContact CG-CB 4.24Å; F44-F47 HydrophobicContact CZ-CB 3.54Å; F44-F47 HydrophobicContact CZ-CD2 4.36Å; F44-F47 HydrophobicContact CZ-CG 4.12Å; F44-F47 PolarHBondContact N-O 3.03Å; F44-F47 WeakPolarHBondContact O-CA 3.43Å; F44-F47 WeakPolarHBondContact O-CB 3.47Å; F44-F47 PolarHBondContact O-N 2.97Å
48L91.6Very high90.8Very high19 Ų1929.1 Ų29.110%0.09915%0.153CC..EExtended strand (participates in β ladder)trans-138131.8175.617866.9000109.8P2 L3 H4 V5 K41 H43 E50P2-L48 HydrophobicContact CB-CB 3.73Å; P2-L48 HydrophobicContact CB-CD2 4.31Å; P2-L48 HydrophobicContact CG-CB 4.22Å; P2-L48 HydrophobicContact CG-CD2 3.87Å; L3-L48 PolarHBondContact O-N 3Å; H4-L48 CarbonylContact C-O 3.54Å; H4-L48 VanDerWaalsContact CA-O 3.26Å; H4-L48 WeakPolarHBondContact CA-O 3.34Å; V5-L48 PolarHBondContact N-O 2.93Å; K41-L48 HydrophobicContact CD-CD1 4.24Å; K41-L48 HydrophobicContact CG-CD1 3.76Å; H43-L48 HydrophobicContact CB-CD1 3.89Å; L48-E50 HydrophobicContact CD1-CG 4.12Å; L48-E50 HydrophobicContact CD2-CG 3.95Å; L48-E50 HydrophobicContact CG-CG 3.92Å
49F91.8Very high90.6Very high4 Ų428.4 Ų28.42%0.01815%0.151CC..EExtended strand (participates in β ladder)trans-113.6127.8166.2175.2-103.7000108.3V5 Y8 I19 V21 L40 K41 V42 A51V5-F49 HydrophobicContact CB-CB 4.12Å; V5-F49 HydrophobicContact CB-CD2 4.46Å; V5-F49 HydrophobicContact CG2-CB 4.33Å; Y8-F49 HydrophobicContact CD1-CD2 4.05Å; Y8-F49 AromaticContact CD1-CE2 3.43Å; Y8-F49 HydrophobicContact CD1-CE2 3.43Å; Y8-F49 VanDerWaalsContact CD1-CE2 3.43Å; Y8-F49 HydrophobicContact CD1-CZ 4.42Å; Y8-F49 HydrophobicContact CD2-CE2 4.01Å; Y8-F49 HydrophobicContact CD2-CZ 4.23Å; Y8-F49 AromaticContact CE1-CE2 3.87Å; Y8-F49 HydrophobicContact CE1-CE2 3.87Å; Y8-F49 HydrophobicContact CE2-CE2 4.4Å; Y8-F49 HydrophobicContact CG-CD2 4.32Å; Y8-F49 AromaticContact CG-CE2 3.51Å; Y8-F49 HydrophobicContact CG-CE2 3.51Å; Y8-F49 HydrophobicContact CG-CZ 4.11Å; I19-F49 HydrophobicContact CG2-CE1 4.37Å; I19-F49 HydrophobicContact CG2-CZ 4.21Å; V21-F49 HydrophobicContact CG1-CB 4.07Å; V21-F49 HydrophobicContact CG1-CD1 4.45Å; V21-F49 HydrophobicContact CG1-CG 4.12Å; V21-F49 HydrophobicContact CG2-CD1 3.7Å; V21-F49 HydrophobicContact CG2-CD2 4.48Å; V21-F49 HydrophobicContact CG2-CE1 3.74Å; V21-F49 HydrophobicContact CG2-CG 4.07Å; V21-F49 HydrophobicContact CG2-CZ 4.16Å; L40-F49 HydrophobicContact CD2-CE1 4.01Å; L40-F49 HydrophobicContact CG-CE1 4.41Å; K41-F49 CarbonylContact C-O 3.55Å; K41-F49 WeakPolarHBondContact CA-O 3.48Å; V42-F49 HydrophobicContact CB-CB 4.13Å; V42-F49 HydrophobicContact CB-CD1 4.37Å; V42-F49 HydrophobicContact CG2-CD1 4.06Å; V42-F49 PolarHBondContact N-O 3.44Å; V42-F49 PolarHBondContact O-N 3.4Å; F49-A51 HydrophobicContact CE1-CB 3.85Å; F49-A51 HydrophobicContact CZ-CB 3.74Å
50E91.1Very high90.3Very high40 Ų4034.6 Ų34.619%0.18718%0.184CC..EExtended strand (participates in β ladder)trans-127.8128.2173.7-69-173.9132.400108.4Y39 L40 K41 L48 R100Y39-E50 HydrophobicContact CE2-CB 4.31Å; Y39-E50 HydrophobicContact CE2-CG 4.39Å; Y39-E50 WeakPolarHBondContact OH-CG 3.45Å; Y39-E50 PolarHBondContact OH-OE1 3.22Å; L40-E50 WeakPolarHBondContact O-CA 3.31Å; K41-E50 HydrophobicContact CG-CG 4.43Å; L48-E50 HydrophobicContact CD1-CG 4.12Å; L48-E50 HydrophobicContact CD2-CG 3.95Å; L48-E50 HydrophobicContact CG-CG 3.92Å; E50-R100 VanDerWaalsContact CD-NH2 3.25Å; E50-R100 IonicContact OE1-CZ 3.42Å; E50-R100 VanDerWaalsContact OE1-CZ 3.29Å; E50-R100 IonicContact OE1-NE 3.16Å; E50-R100 PolarHBondContact OE1-NE 3.43Å; E50-R100 IonicContact OE1-NH2 3.52Å; E50-R100 PolarHBondContact OE1-NH2 3.45Å; E50-R100 IonicContact OE2-CZ 2.7Å; E50-R100 IonicContact OE2-NH2 3.54Å; E50-R100 PolarHBondContact OE2-NH2 3.45Å
51A90.1Very high90.2Very high0 Ų042.5 Ų42.50%021%0.214CC..EExtended strand (participates in β ladder)trans-129122173.300000110L40 F49 M87L40-A51 HydrophobicContact CB-CB 4.34Å; L40-A51 PolarHBondContact N-O 3.37Å; L40-A51 PolarHBondContact O-N 3.13Å; F49-A51 HydrophobicContact CE1-CB 3.85Å; F49-A51 HydrophobicContact CZ-CB 3.74Å; A51-M87 HydrophobicContact CB-CG 4.21Å; A51-M87 HydrophobicContact CB-SD 4.25Å
52F91.5Very high90.2Very high17 Ų1741.9 Ų41.98%0.07521%0.214CC..EExtended strand (participates in β ladder)trans-93.4101.6171.3-59.7-84.6000107.2E38 Y39 M87 I88 K96 I99 R100E38-F52 CarbonylContact O-C 3.54Å; Y39-F52 AromaticContact CD2-CD1 3.72Å; Y39-F52 HydrophobicContact CD2-CD1 3.72Å; Y39-F52 AromaticContact CD2-CE1 3.57Å; Y39-F52 HydrophobicContact CD2-CE1 3.57Å; Y39-F52 HydrophobicContact CD2-CG 4.43Å; Y39-F52 HydrophobicContact CD2-CZ 4.19Å; Y39-F52 HydrophobicContact CE2-CD1 4.24Å; Y39-F52 AromaticContact CE2-CE1 3.69Å; Y39-F52 HydrophobicContact CE2-CE1 3.69Å; Y39-F52 AromaticContact CE2-CZ 3.86Å; Y39-F52 HydrophobicContact CE2-CZ 3.86Å; F52-M87 CarbonylContact O-C 3.52Å; F52-M87 WeakPolarHBondContact O-CA 3.41Å; F52-M87 WeakPolarHBondContact O-CB 3.45Å; F52-I88 PolarHBondContact O-N 3.07Å; F52-K96 HydrophobicContact CD1-CB 4.4Å; F52-K96 HydrophobicContact CD1-CG 4.48Å; F52-K96 HydrophobicContact CD2-CD 4.2Å; F52-K96 HydrophobicContact CD2-CG 4.16Å; F52-K96 HydrophobicContact CE1-CB 4.01Å; F52-K96 WeakPolarHBondContact CE1-O 3.25Å; F52-K96 HydrophobicContact CE2-CB 4.12Å; F52-K96 HydrophobicContact CE2-CD 4.18Å; F52-K96 HydrophobicContact CE2-CG 4.21Å; F52-K96 HydrophobicContact CG-CG 4.3Å; F52-K96 HydrophobicContact CZ-CB 3.86Å; F52-K96 HydrophobicContact CZ-CG 4.39Å; F52-I99 HydrophobicContact CD1-CB 4.07Å; F52-I99 HydrophobicContact CD1-CG2 3.81Å; F52-I99 HydrophobicContact CE1-CB 4.41Å; F52-I99 HydrophobicContact CE1-CG2 4.4Å; F52-R100 HydrophobicContact CE1-CB 4.25Å
53L90.7Very high90.1Very high2 Ų244.5 Ų44.51%0.0123%0.233CC..BIsolated β-bridgetrans-64143.1-168.4-59.8173.6000111.4I19 E38 V57 L75 W83 L86 I88I19-L53 HydrophobicContact CD1-CD2 4.24Å; E38-L53 PolarHBondContact O-N 3.36Å; L53-V57 HydrophobicContact CD1-CB 4.38Å; L53-V57 HydrophobicContact CD1-CG1 3.89Å; L53-V57 HydrophobicContact CD1-CG2 3.6Å; L53-L75 HydrophobicContact CD1-CD1 4.21Å; L53-L75 HydrophobicContact CD2-CD1 4.3Å; L53-W83 HydrophobicContact CB-CH2 4.19Å; L53-W83 HydrophobicContact CB-CZ3 4.37Å; L53-W83 HydrophobicContact CD2-CH2 4.5Å; L53-W83 HydrophobicContact CD2-CZ3 4.25Å; L53-L86 HydrophobicContact CD2-CD1 4.43Å; L53-I88 WeakPolarHBondContact O-CG1 3.4Å
54F89.1Confident90.1Very high62 Ų6243.8 Ų43.827%0.27224%0.237SC..SBendtrans-62.1-42.7-178.3177.7-100.3000113.5W83 H85 L86F54-W83 HydrophobicContact CB-CD2 4.28Å; F54-W83 HydrophobicContact CB-CE3 4.14Å; F54-W83 HydrophobicContact CD1-CB 4.26Å; F54-W83 HydrophobicContact CD1-CD2 4.42Å; F54-W83 HydrophobicContact CD1-CG 4.04Å; F54-H85 VanDerWaalsContact CB-O 3.24Å; F54-H85 WeakPolarHBondContact CB-O 3.33Å; F54-L86 PolarHBondContact N-O 2.89Å
55E88.4Confident90.1Very high37 Ų3750.8 Ų50.817%0.17327%0.267CS..SBendtrans-134.8157175.7-85.8-179.5-16400109.7T79 K81 W83E55-T79 WeakPolarHBondContact OE2-CB 3.28Å; E55-T79 PolarHBondContact OE2-OG1 3.04Å; E55-K81 IonicContact OE1-NZ 3.44Å; E55-W83 HydrophobicContact CB-CZ2 3.92Å; E55-W83 WeakPolarHBondContact O-CH2 3.33Å; E55-W83 VanDerWaalsContact O-CZ2 3.27Å; E55-W83 WeakPolarHBondContact O-CZ2 3.41Å
56P89.6Confident90.2Very high41 Ų4148.4 Ų48.427%0.26625%0.251SS..  trans-67.1136.6-175.427.2-35.2000112.4E37 E38 K78E37-P56 HydrophobicContact CB-CB 4.43Å; E37-P56 CarbonylContact O-C 3.59Å; E37-P56 VanDerWaalsContact O-CA 3.25Å; E37-P56 WeakPolarHBondContact O-CA 3.41Å; E38-P56 HydrophobicContact CG-CB 4.2Å; P56-K78 HydrophobicContact CB-CD 4.17Å; P56-K78 HydrophobicContact CG-CD 4.39Å; P56-K78 WeakPolarHBondContact O-CB 3.41Å; P56-K78 PolarHBondContact O-N 3.48Å; P56-K78 VanDerWaalsContact O-N 3.16Å
57V91.5Very high90Very high0 Ų046.9 Ų46.90%025%0.248CC..BIsolated β-bridgetrans-101.1160.6174-59.90000111E37 L53 D59 L75 P76 K78 W83E37-V57 WeakPolarHBondContact O-CG2 3.45Å; E37-V57 PolarHBondContact O-N 3.44Å; L53-V57 HydrophobicContact CD1-CB 4.38Å; L53-V57 HydrophobicContact CD1-CG1 3.89Å; L53-V57 HydrophobicContact CD1-CG2 3.6Å; V57-D59 PolarHBondContact O-N 3.32Å; V57-L75 HydrophobicContact CB-CB 4.17Å; V57-L75 HydrophobicContact CG1-CB 3.96Å; V57-L75 HydrophobicContact CG2-CB 4.33Å; V57-P76 CarbonylContact C-O 3.58Å; V57-P76 WeakPolarHBondContact CA-O 3.4Å; V57-P76 WeakPolarHBondContact CB-O 3.45Å; V57-K78 WeakPolarHBondContact O-CE 3.48Å; V57-W83 HydrophobicContact CG1-CH2 3.66Å; V57-W83 HydrophobicContact CG1-CZ2 4.03Å
58D90.4Very high89.6Confident31 Ų3153.1 Ų53.117%0.16628%0.284CS..  trans-80103174.6-170.5-38.5000109.7D60 R61 S62 P76D58-D60 VanDerWaalsContact C-N 3.34Å; D58-D60 PolarHBondContact O-N 2.92Å; D58-D60 PolarHBondContact OD1-N 3.17Å; D58-R61 HydrophobicContact CB-CB 4.45Å; D58-R61 PolarHBondContact OD1-N 2.91Å; D58-R61 VanDerWaalsContact OD1-N 3.13Å; D58-R61 IonicContact OD1-NE 3.37Å; D58-R61 IonicContact OD2-CZ 2.72Å; D58-R61 IonicContact OD2-NE 3.79Å; D58-R61 PolarHBondContact OD2-NE 3.16Å; D58-R61 IonicContact OD2-NH2 2.75Å; D58-R61 PolarHBondContact OD2-NH2 3.2Å; D58-S62 WeakPolarHBondContact O-CB 3.26Å; D58-S62 PolarHBondContact O-N 3.5Å; D58-S62 PolarHBondContact O-OG 3.25Å; D58-P76 HydrophobicContact CB-CB 4.32Å; D58-P76 PolarHBondContact N-O 3.49Å
59D86.3Confident89.3Confident27 Ų2753.8 Ų53.814%0.14430%0.295CS..THydrogen-bonded Turntrans-63.2-37.7-177.1-174.455.1000112.6T36 E37 V57 R61 S62 K110T36-D59 WeakPolarHBondContact CA-OD1 3.4Å; E37-D59 HydrophobicContact CG-CB 4.1Å; V57-D59 PolarHBondContact O-N 3.32Å; D59-R61 PolarHBondContact O-N 2.86Å; D59-S62 WeakPolarHBondContact O-CB 3.34Å; D59-S62 PolarHBondContact O-N 3.47Å; D59-K110 IonicContact OD2-NZ 2.69Å; D59-K110 PolarHBondContact OD2-NZ 3.25Å
60D86.6Confident89.3Confident132 Ų13255.5 Ų55.571%0.70631%0.306SS*.THydrogen-bonded Turntrans-74.2-28.6-175.1-66-35.9000112.7D58 K110D58-D60 VanDerWaalsContact C-N 3.34Å; D58-D60 PolarHBondContact O-N 2.92Å; D58-D60 PolarHBondContact OD1-N 3.17Å; D60-K110 IonicContact OD1-NZ 3.26Å; D60-K110 PolarHBondContact OD1-NZ 2.9Å
61R88.9Confident89.3Confident165 Ų16553.7 Ų53.762%0.62330%0.298SS*.THydrogen-bonded Turntrans-94.2-4.2173.4-65.5-171.8-69.9168.80.8113.6D58 D59 P76D58-R61 HydrophobicContact CB-CB 4.45Å; D58-R61 PolarHBondContact OD1-N 2.91Å; D58-R61 VanDerWaalsContact OD1-N 3.13Å; D58-R61 IonicContact OD1-NE 3.37Å; D58-R61 IonicContact OD2-CZ 2.72Å; D58-R61 IonicContact OD2-NE 3.79Å; D58-R61 PolarHBondContact OD2-NE 3.16Å; D58-R61 IonicContact OD2-NH2 2.75Å; D58-R61 PolarHBondContact OD2-NH2 3.2Å; D59-R61 PolarHBondContact O-N 2.86Å; R61-P76 HydrophobicContact CB-CG 3.85Å
62S91.9Very high89.5Confident24 Ų2456.7 Ų56.717%0.16832%0.316CS..  trans-71.9140.3178.1-740000111.1D58 D59 T74 L75D58-S62 WeakPolarHBondContact O-CB 3.26Å; D58-S62 PolarHBondContact O-N 3.5Å; D58-S62 PolarHBondContact O-OG 3.25Å; D59-S62 WeakPolarHBondContact O-CB 3.34Å; D59-S62 PolarHBondContact O-N 3.47Å; S62-T74 WeakPolarHBondContact CA-O 3.44Å; S62-L75 WeakPolarHBondContact OG-CD2 3.44Å
63S91.4Very high89.6Confident56 Ų5655.9 Ų55.939%0.39231%0.313SS..EExtended strand (participates in β ladder)trans-134.2134.8-178.8-173.80000111.1F73 T74S63-F73 WeakPolarHBondContact O-CA 3.39Å; S63-T74 PolarHBondContact N-O 2.9Å; S63-T74 PolarHBondContact O-N 3.32Å
64A91.5Very high89.8Confident45 Ų4558.2 Ų58.237%0.37233%0.327SS..EExtended strand (participates in β ladder)trans-114.4126.3173.700000109.7I33 F73I33-A64 HydrophobicContact CD1-CB 4.44Å; I33-A64 HydrophobicContact CG2-CB 4.34Å; A64-F73 HydrophobicContact CB-CD1 3.64Å; A64-F73 HydrophobicContact CB-CE1 3.43Å; A64-F73 VanDerWaalsContact CB-CE1 3.43Å; A64-F73 HydrophobicContact CB-CZ 4.34Å
65K91.4Very high90Very high151 Ų15155.3 Ų55.366%0.65731%0.314SS*.EExtended strand (participates in β ladder)trans-118.8120.4175.8-66.3-177.3-178.4177.20109.2V72K65-V72 PolarHBondContact N-O 3.23Å; K65-V72 PolarHBondContact O-N 2.9Å
66V90.8Very high90.3Very high46 Ų4654.5 Ų54.528%0.27931%0.312SS..EExtended strand (participates in β ladder)trans-105118.5176.3178.90000109L23 A28 I33 A71L23-V66 HydrophobicContact CD1-CG1 3.38Å; A28-V66 HydrophobicContact CB-CB 4.15Å; A28-V66 HydrophobicContact CB-CG1 3.85Å; I33-V66 HydrophobicContact CD1-CG2 3.45Å; I33-V66 VanDerWaalsContact CD1-CG2 3.45Å; V66-A71 HydrophobicContact CG2-CB 4.13Å
67G85.2Confident90.4Very high40 Ų4052.7 Ų52.741%0.41230%0.3SS..EExtended strand (participates in β ladder)trans-167.8155.2-179.600000112.4G69 V70G67-G69 PolarHBondContact O-N 2.92Å; G67-G69 VanDerWaalsContact O-N 3.08Å; G67-V70 PolarHBondContact N-O 3.5Å; G67-V70 PolarHBondContact O-N 3.04Å
68N82.6Confident90.4Very high176 Ų17657.3 Ų57.394%0.94132%0.32SS*.THydrogen-bonded Turntrans52.533.2176.8-56.5-25.5000114.2V70N68-V70 VanDerWaalsContact C-N 3.32Å; N68-V70 PolarHBondContact O-N 2.76Å
69G85.5Confident90.4Very high33 Ų3358.8 Ų58.834%0.3433%0.33SS..THydrogen-bonded Turntrans74.615.3-17900000115.1L23 G67L23-G69 WeakPolarHBondContact CB-O 3.39Å; L23-G69 PolarHBondContact N-O 3.24Å; G67-G69 PolarHBondContact O-N 2.92Å; G67-G69 VanDerWaalsContact O-N 3.08Å
70V90.5Very high90.4Very high41 Ų4163.7 Ų63.725%0.24835%0.352CS..EExtended strand (participates in β ladder)trans-134.4139.2179.7-177.50000110.5S20 G67 N68 V72S20-V70 WeakPolarHBondContact OG-CG1 3.45Å; G67-V70 PolarHBondContact N-O 3.5Å; G67-V70 PolarHBondContact O-N 3.04Å; N68-V70 VanDerWaalsContact C-N 3.32Å; N68-V70 PolarHBondContact O-N 2.76Å; V70-V72 HydrophobicContact CG1-CG2 3.96Å
71A91.8Very high90.4Very high1 Ų162.6 Ų62.61%0.00834%0.341CS..EExtended strand (participates in β ladder)trans-97.5116.7167.200000109.5S20 V21 L23 V66 F73S20-A71 WeakPolarHBondContact CA-O 3.5Å; V21-A71 HydrophobicContact CB-CB 4.42Å; V21-A71 PolarHBondContact N-O 2.9Å; V21-A71 PolarHBondContact O-N 2.85Å; L23-A71 HydrophobicContact CD1-CB 4.01Å; L23-A71 HydrophobicContact CD2-CB 4.01Å; L23-A71 HydrophobicContact CG-CB 4.11Å; V66-A71 HydrophobicContact CG2-CB 4.13Å; A71-F73 HydrophobicContact CB-CE2 3.72Å; A71-F73 HydrophobicContact CB-CZ 4.09Å
72V93.6Very high90.4Very high63 Ų6359.1 Ų59.138%0.38234%0.338SS..EExtended strand (participates in β ladder)trans-107.1120178.4-177.20000109.3I19 K65 V70I19-V72 CarbonylContact O-C 3.59Å; I19-V72 WeakPolarHBondContact O-CA 3.38Å; K65-V72 PolarHBondContact N-O 3.23Å; K65-V72 PolarHBondContact O-N 2.9Å; V70-V72 HydrophobicContact CG1-CG2 3.96Å
73F94.4Very high90.3Very high1 Ų158.1 Ų58.10%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-101.8136.5176.3-61.4-87.1000109.7H18 I19 V21 I33 L40 V42 S63 A64 A71 L75H18-F73 VanDerWaalsContact CA-O 3.25Å; H18-F73 WeakPolarHBondContact CA-O 3.43Å; I19-F73 HydrophobicContact CB-CB 4.16Å; I19-F73 HydrophobicContact CB-CD2 4.33Å; I19-F73 PolarHBondContact N-O 2.89Å; I19-F73 VanDerWaalsContact N-O 3.08Å; I19-F73 PolarHBondContact O-N 3.47Å; V21-F73 HydrophobicContact CG2-CD2 4.44Å; V21-F73 HydrophobicContact CG2-CE2 4.11Å; I33-F73 HydrophobicContact CD1-CE1 4.43Å; I33-F73 HydrophobicContact CD1-CZ 4.1Å; I33-F73 HydrophobicContact CG1-CZ 4.49Å; I33-F73 HydrophobicContact CG2-CE1 3.53Å; I33-F73 HydrophobicContact CG2-CZ 3.88Å; L40-F73 HydrophobicContact CD1-CD1 3.76Å; L40-F73 HydrophobicContact CD1-CE1 3.6Å; L40-F73 HydrophobicContact CD1-CG 4.39Å; L40-F73 HydrophobicContact CD1-CZ 4.11Å; L40-F73 HydrophobicContact CD2-CD1 4.24Å; L40-F73 HydrophobicContact CD2-CD2 4.11Å; L40-F73 HydrophobicContact CD2-CE2 4.42Å; L40-F73 HydrophobicContact CD2-CG 4.04Å; V42-F73 HydrophobicContact CG2-CE1 4.39Å; V42-F73 HydrophobicContact CG2-CE2 3.64Å; V42-F73 HydrophobicContact CG2-CZ 3.34Å; S63-F73 WeakPolarHBondContact O-CA 3.39Å; A64-F73 HydrophobicContact CB-CD1 3.64Å; A64-F73 HydrophobicContact CB-CE1 3.43Å; A64-F73 VanDerWaalsContact CB-CE1 3.43Å; A64-F73 HydrophobicContact CB-CZ 4.34Å; A71-F73 HydrophobicContact CB-CE2 3.72Å; A71-F73 HydrophobicContact CB-CZ 4.09Å; F73-L75 HydrophobicContact CB-CD2 4.29Å; F73-L75 HydrophobicContact CB-CG 4.2Å
74T94.4Very high90.1Very high51 Ų5162.9 Ų62.931%0.31335%0.346SS..EExtended strand (participates in β ladder)trans-121.1108.1168.8-61.60000107.4H18 S62 S63H18-T74 PolarHBondContact ND1-OG1 3.32Å; S62-T74 WeakPolarHBondContact CA-O 3.44Å; S63-T74 PolarHBondContact N-O 2.9Å; S63-T74 PolarHBondContact O-N 3.32Å
75L93.7Very high89.9Confident1 Ų165 Ų651%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-116.7104.3-172.3-53.1179.3000109.1T16 V17 I19 L40 L53 V57 S62 F73T16-L75 WeakPolarHBondContact CA-O 3.32Å; V17-L75 PolarHBondContact N-O 2.87Å; V17-L75 PolarHBondContact O-N 2.99Å; I19-L75 HydrophobicContact CD1-CD1 3.72Å; L40-L75 HydrophobicContact CD2-CD1 4.45Å; L53-L75 HydrophobicContact CD1-CD1 4.21Å; L53-L75 HydrophobicContact CD2-CD1 4.3Å; V57-L75 HydrophobicContact CB-CB 4.17Å; V57-L75 HydrophobicContact CG1-CB 3.96Å; V57-L75 HydrophobicContact CG2-CB 4.33Å; S62-L75 WeakPolarHBondContact OG-CD2 3.44Å; F73-L75 HydrophobicContact CB-CD2 4.29Å; F73-L75 HydrophobicContact CB-CG 4.2Å
76P93.8Very high89.6Confident19 Ų1958.1 Ų58.112%0.12332%0.319CS..EExtended strand (participates in β ladder)trans-67.3132.7173.7-19.633.9000110.8V57 D58 R61V57-P76 CarbonylContact C-O 3.58Å; V57-P76 WeakPolarHBondContact CA-O 3.4Å; V57-P76 WeakPolarHBondContact CB-O 3.45Å; D58-P76 HydrophobicContact CB-CB 4.32Å; D58-P76 PolarHBondContact N-O 3.49Å; R61-P76 HydrophobicContact CB-CG 3.85Å
77K92.9Very high89.4Confident4 Ų459 Ų592%0.01732%0.321CS..BIsolated β-bridgetrans-75.1144177.8-58.8173.3177.6173.90109.8T13 S15 V17 T79 K81 W83T13-K77 PolarHBondContact O-NZ 3.45Å; S15-K77 PolarHBondContact O-N 2.83Å; V17-K77 HydrophobicContact CG2-CD 4.2Å; V17-K77 HydrophobicContact CG2-CG 3.97Å; K77-T79 VanDerWaalsContact C-N 3.31Å; K77-T79 WeakPolarHBondContact CB-O 3.45Å; K77-K81 WeakPolarHBondContact CD-O 3.26Å; K77-K81 PolarHBondContact NZ-O 3.02Å; K77-W83 HydrophobicContact CD-CZ2 4.42Å; K77-W83 HydrophobicContact CG-CZ2 3.96Å
78K91.2Very high89.4Confident96 Ų9659.1 Ų59.142%0.41731%0.311SS..SBendtrans-71.9-31.6167.4-70.4-170.4178.5-179.80111.6E37 P56 V57E37-K78 IonicContact OE1-NZ 2.82Å; E37-K78 PolarHBondContact OE1-NZ 2.83Å; E37-K78 IonicContact OE2-NZ 2.78Å; E37-K78 PolarHBondContact OE2-NZ 2.86Å; P56-K78 HydrophobicContact CB-CD 4.17Å; P56-K78 HydrophobicContact CG-CD 4.39Å; P56-K78 WeakPolarHBondContact O-CB 3.41Å; P56-K78 PolarHBondContact O-N 3.48Å; P56-K78 VanDerWaalsContact O-N 3.16Å; V57-K78 WeakPolarHBondContact O-CE 3.48Å
79T89.3Confident89Confident62 Ų6255.8 Ų55.838%0.3830%0.297SS..SBendtrans-112.4124.3-179.236.90000110E55 K77 K81E55-T79 WeakPolarHBondContact OE2-CB 3.28Å; E55-T79 PolarHBondContact OE2-OG1 3.04Å; K77-T79 VanDerWaalsContact C-N 3.31Å; K77-T79 WeakPolarHBondContact CB-O 3.45Å; T79-K81 PolarHBondContact O-N 3.28Å
80H86.3Confident88.1Confident131 Ų13157.3 Ų57.361%0.60630%0.3SS*.  trans-7687.2177.1-70-87.8000110D14 S15D14-H80 WeakPolarHBondContact O-CA 3.36Å; S15-H80 WeakPolarHBondContact CB-ND1 3.41Å
81K88.1Confident86.7Confident109 Ų10958.6 Ų58.647%0.47432%0.322SS..  trans-152140.7-179-172.8-179.9173.2-169.60110.4D14 E55 K77 T79 W83D14-K81 PolarHBondContact O-N 3.23Å; E55-K81 IonicContact OE1-NZ 3.44Å; K77-K81 WeakPolarHBondContact CD-O 3.26Å; K77-K81 PolarHBondContact NZ-O 3.02Å; T79-K81 PolarHBondContact O-N 3.28Å; K81-W83 PolarHBondContact O-N 3.39Å
82V88.7Confident86.1Confident91 Ų9163.2 Ų63.255%0.55235%0.346SS*.  trans-71.5124.2171.4-176.70000109.4Q12Q12-V82 VanDerWaalsContact NE2-CG1 3.29Å
83W89.4Confident85.5Confident4 Ų469.1 Ų69.12%0.01537%0.367CS..  trans-81.8133.7179.7-63.1-3.4000110.5Q12 V17 L53 F54 E55 V57 K77 K81 L86Q12-W83 PolarHBondContact NE2-O 3.43Å; V17-W83 HydrophobicContact CB-CZ3 4.44Å; V17-W83 HydrophobicContact CG1-CZ3 4.34Å; V17-W83 HydrophobicContact CG2-CD2 4Å; V17-W83 HydrophobicContact CG2-CE3 3.76Å; V17-W83 HydrophobicContact CG2-CH2 3.87Å; V17-W83 HydrophobicContact CG2-CZ2 4.08Å; V17-W83 HydrophobicContact CG2-CZ3 3.7Å; L53-W83 HydrophobicContact CB-CH2 4.19Å; L53-W83 HydrophobicContact CB-CZ3 4.37Å; L53-W83 HydrophobicContact CD2-CH2 4.5Å; L53-W83 HydrophobicContact CD2-CZ3 4.25Å; F54-W83 HydrophobicContact CB-CD2 4.28Å; F54-W83 HydrophobicContact CB-CE3 4.14Å; F54-W83 HydrophobicContact CD1-CB 4.26Å; F54-W83 HydrophobicContact CD1-CD2 4.42Å; F54-W83 HydrophobicContact CD1-CG 4.04Å; E55-W83 HydrophobicContact CB-CZ2 3.92Å; E55-W83 WeakPolarHBondContact O-CH2 3.33Å; E55-W83 VanDerWaalsContact O-CZ2 3.27Å; E55-W83 WeakPolarHBondContact O-CZ2 3.41Å; V57-W83 HydrophobicContact CG1-CH2 3.66Å; V57-W83 HydrophobicContact CG1-CZ2 4.03Å; K77-W83 HydrophobicContact CD-CZ2 4.42Å; K77-W83 HydrophobicContact CG-CZ2 3.96Å; K81-W83 PolarHBondContact O-N 3.39Å; W83-L86 HydrophobicContact CE3-CD1 4.38Å; W83-L86 HydrophobicContact CZ3-CD1 4.16Å
84E86Confident85.1Confident155 Ų15576.4 Ų76.472%0.72440%0.401SS*.SBendtrans-74.4-35175.5-64.3179.217900111.4
85H87.5Confident84.6Confident91 Ų9176.2 Ų76.242%0.42140%0.4SS..  trans-133.8147.7179.7-56.387.7000109F54 M87F54-H85 VanDerWaalsContact CB-O 3.24Å; F54-H85 WeakPolarHBondContact CB-O 3.33Å; H85-M87 VanDerWaalsContact C-N 3.3Å; H85-M87 WeakPolarHBondContact CB-O 3.38Å
86L85.1Confident84.1Confident6 Ų679.4 Ų79.43%0.03141%0.414CS..SBendtrans-67.7-35.6172.7-178.966.2000111.6Y8 W10 V17 I19 L53 F54 W83Y8-L86 HydrophobicContact CD2-CD2 4.25Å; Y8-L86 HydrophobicContact CE2-CD2 3.71Å; W10-L86 HydrophobicContact CB-CD1 4.35Å; W10-L86 HydrophobicContact CB-CD2 4.05Å; W10-L86 HydrophobicContact CD2-CB 3.86Å; W10-L86 HydrophobicContact CD2-CD1 4.11Å; W10-L86 HydrophobicContact CD2-CD2 4.49Å; W10-L86 HydrophobicContact CD2-CG 4.38Å; W10-L86 HydrophobicContact CE3-CB 4.33Å; W10-L86 HydrophobicContact CE3-CD1 4.03Å; W10-L86 HydrophobicContact CG-CB 4.12Å; W10-L86 HydrophobicContact CG-CD1 4.24Å; W10-L86 HydrophobicContact CG-CD2 3.94Å; W10-L86 HydrophobicContact CG-CG 4.33Å; W10-L86 HydrophobicContact CZ2-CB 4.22Å; V17-L86 HydrophobicContact CG1-CD1 3.81Å; I19-L86 HydrophobicContact CD1-CD1 3.79Å; I19-L86 HydrophobicContact CD1-CD2 4.23Å; I19-L86 HydrophobicContact CG1-CD1 4Å; I19-L86 HydrophobicContact CG1-CD2 4.38Å; L53-L86 HydrophobicContact CD2-CD1 4.43Å; F54-L86 PolarHBondContact N-O 2.89Å; W83-L86 HydrophobicContact CE3-CD1 4.38Å; W83-L86 HydrophobicContact CZ3-CD1 4.16Å
87M87.1Confident83.8Confident64 Ų6485.8 Ų85.832%0.31544%0.435SS..BIsolated β-bridgetrans-115.9152.5-172.6-63.5-178.6-68.800112.4Y8 A51 F52 H85 T89Y8-M87 VanDerWaalsContact OH-CE 3.23Å; Y8-M87 WeakPolarHBondContact OH-CE 3.42Å; A51-M87 HydrophobicContact CB-CG 4.21Å; A51-M87 HydrophobicContact CB-SD 4.25Å; F52-M87 CarbonylContact O-C 3.52Å; F52-M87 WeakPolarHBondContact O-CA 3.41Å; F52-M87 WeakPolarHBondContact O-CB 3.45Å; H85-M87 VanDerWaalsContact C-N 3.3Å; H85-M87 WeakPolarHBondContact CB-O 3.38Å; M87-T89 PolarHBondContact O-N 2.94Å
88I84.8Confident83.6Confident43 Ų4391.7 Ų91.722%0.22146%0.463CS..  trans-62.8127.8173.9-45.3173.7000109.8F52 L53 T90 I99F52-I88 PolarHBondContact O-N 3.07Å; L53-I88 WeakPolarHBondContact O-CG1 3.4Å; I88-T90 VanDerWaalsContact C-N 3.28Å; I88-T90 HydrophobicContact CG2-CG2 4.39Å; I88-T90 WeakPolarHBondContact CG2-OG1 3.3Å; I88-T90 PolarHBondContact O-N 3.45Å; I88-I99 HydrophobicContact CD1-CD1 3.68Å
89T75.1Confident83.4Confident105 Ų10588.1 Ų88.164%0.64445%0.448SS*.  trans-79.4-4.7-176.4-32.70000113.6M87 G91M87-T89 PolarHBondContact O-N 2.94Å; T89-G91 PolarHBondContact O-N 3.14Å
90T65.4Low83.4Confident65 Ų6588.9 Ų88.940%0.39944%0.444SS..  trans-64.4127.4-179.540.40000111I88 D92 K96I88-T90 VanDerWaalsContact C-N 3.28Å; I88-T90 HydrophobicContact CG2-CG2 4.39Å; I88-T90 WeakPolarHBondContact CG2-OG1 3.3Å; I88-T90 PolarHBondContact O-N 3.45Å; T90-D92 PolarHBondContact O-N 3.04Å; T90-K96 VanDerWaalsContact O-CE 3.23Å; T90-K96 WeakPolarHBondContact O-CE 3.47Å; T90-K96 PolarHBondContact O-NZ 3.04Å
91G62.2Low83.6Confident68 Ų6887.4 Ų87.470%0.70144%0.437SS*.  trans-78-3.7-17900000114.2T89 K93T89-G91 PolarHBondContact O-N 3.14Å; G91-K93 PolarHBondContact O-N 3.36Å
92D78.4Confident83.7Confident99 Ų9987 Ų8753%0.52943%0.433SS..  trans-76.6111.6-172.2-57.9-34.1000110.7T90 E94 T95T90-D92 PolarHBondContact O-N 3.04Å; D92-E94 PolarHBondContact O-N 2.85Å; D92-T95 HydrophobicContact CB-CG2 4.03Å; D92-T95 PolarHBondContact O-N 3.02Å; D92-T95 PolarHBondContact O-OG1 3.42Å
93K81.1Confident83.7Confident187 Ų18782.8 Ų82.881%0.81341%0.408SS*.Hα-helixtrans-60-26.7179.9-170.3178178.5-177.30112.7G91 R97G91-K93 PolarHBondContact O-N 3.36Å; K93-R97 PolarHBondContact O-N 3.36Å
94E85.7Confident83.6Confident154 Ų15486.2 Ų86.272%0.7243%0.425SS*.Hα-helixtrans-72.1-47.3-179.8-66.9179.8171.900111.9D92 K96 R97 E98D92-E94 PolarHBondContact O-N 2.85Å; E94-K96 VanDerWaalsContact C-N 3.33Å; E94-K96 PolarHBondContact O-N 3.12Å; E94-R97 WeakPolarHBondContact O-CA 3.45Å; E94-R97 VanDerWaalsContact O-CB 3.31Å; E94-R97 WeakPolarHBondContact O-CB 3.39Å; E94-R97 PolarHBondContact O-N 2.94Å; E94-E98 PolarHBondContact O-N 3.45Å
95T84.5Confident83.9Confident46 Ų4683.2 Ų83.228%0.28241%0.414SS..Hα-helixtrans-60.9-41.3178.861.50000111.9D92 R97 E98 I99D92-T95 HydrophobicContact CB-CG2 4.03Å; D92-T95 PolarHBondContact O-N 3.02Å; D92-T95 PolarHBondContact O-OG1 3.42Å; T95-R97 VanDerWaalsContact C-N 3.29Å; T95-R97 PolarHBondContact O-N 3.29Å; T95-E98 PolarHBondContact O-N 3.4Å; T95-I99 VanDerWaalsContact O-CG1 3.27Å; T95-I99 WeakPolarHBondContact O-CG1 3.45Å; T95-I99 PolarHBondContact O-N 3.36Å
96K83.5Confident83.9Confident69 Ų6982.5 Ų82.530%0.342%0.416SS..Hα-helixtrans-63.1-34.7173.6-68.4179.6-178173.10112.5F52 T90 E94 R100F52-K96 HydrophobicContact CD1-CB 4.4Å; F52-K96 HydrophobicContact CD1-CG 4.48Å; F52-K96 HydrophobicContact CD2-CD 4.2Å; F52-K96 HydrophobicContact CD2-CG 4.16Å; F52-K96 HydrophobicContact CE1-CB 4.01Å; F52-K96 WeakPolarHBondContact CE1-O 3.25Å; F52-K96 HydrophobicContact CE2-CB 4.12Å; F52-K96 HydrophobicContact CE2-CD 4.18Å; F52-K96 HydrophobicContact CE2-CG 4.21Å; F52-K96 HydrophobicContact CG-CG 4.3Å; F52-K96 HydrophobicContact CZ-CB 3.86Å; F52-K96 HydrophobicContact CZ-CG 4.39Å; T90-K96 VanDerWaalsContact O-CE 3.23Å; T90-K96 WeakPolarHBondContact O-CE 3.47Å; T90-K96 PolarHBondContact O-NZ 3.04Å; E94-K96 VanDerWaalsContact C-N 3.33Å; E94-K96 PolarHBondContact O-N 3.12Å; K96-R100 WeakPolarHBondContact O-CB 3.29Å; K96-R100 PolarHBondContact O-N 3.42Å; K96-R100 VanDerWaalsContact O-N 3.1Å
97R87Confident84Confident153 Ų15384.4 Ų84.458%0.57743%0.425SS*.Hα-helixtrans-68.7-45.8176.5-178.1-177.8174.1-176.5-3.6110.9K93 E94 T95 R100 E101K93-R97 PolarHBondContact O-N 3.36Å; E94-R97 WeakPolarHBondContact O-CA 3.45Å; E94-R97 VanDerWaalsContact O-CB 3.31Å; E94-R97 WeakPolarHBondContact O-CB 3.39Å; E94-R97 PolarHBondContact O-N 2.94Å; T95-R97 VanDerWaalsContact C-N 3.29Å; T95-R97 PolarHBondContact O-N 3.29Å; R97-R100 WeakPolarHBondContact O-CB 3.38Å; R97-R100 PolarHBondContact O-N 2.96Å; R97-E101 HydrophobicContact CG-CG 4.46Å; R97-E101 IonicContact CZ-OE1 2.92Å; R97-E101 IonicContact NE-OE1 3.45Å; R97-E101 PolarHBondContact NE-OE1 3.33Å; R97-E101 IonicContact NH2-OE1 2.93Å; R97-E101 PolarHBondContact NH2-OE1 3.05Å; R97-E101 VanDerWaalsContact NH2-OE1 3.16Å; R97-E101 WeakPolarHBondContact O-CG 3.32Å; R97-E101 PolarHBondContact O-N 3.16Å
98E89.3Confident84.1Confident127 Ų12787.6 Ų87.659%0.59344%0.439SS*.Hα-helixtrans-61.6-44.1177.7-69.8175.1177.800111.8E94 T95 R100 E101 R102E94-E98 PolarHBondContact O-N 3.45Å; T95-E98 PolarHBondContact O-N 3.4Å; E98-R100 VanDerWaalsContact C-N 3.29Å; E98-R100 PolarHBondContact O-N 3.14Å; E98-E101 PolarHBondContact O-N 3.05Å; E98-R102 WeakPolarHBondContact O-CB 3.41Å; E98-R102 VanDerWaalsContact O-CG 3.31Å; E98-R102 WeakPolarHBondContact O-CG 3.5Å; E98-R102 PolarHBondContact O-N 2.99Å
99I87.6Confident84.4Confident21 Ų2190.8 Ų90.811%0.10845%0.453CS..Hα-helixtrans-62-37.8176-65.1165.7000111.3E38 F52 I88 T95 R102 A103E38-I99 HydrophobicContact CB-CG2 4.13Å; F52-I99 HydrophobicContact CD1-CB 4.07Å; F52-I99 HydrophobicContact CD1-CG2 3.81Å; F52-I99 HydrophobicContact CE1-CB 4.41Å; F52-I99 HydrophobicContact CE1-CG2 4.4Å; I88-I99 HydrophobicContact CD1-CD1 3.68Å; T95-I99 VanDerWaalsContact O-CG1 3.27Å; T95-I99 WeakPolarHBondContact O-CG1 3.45Å; T95-I99 PolarHBondContact O-N 3.36Å; I99-R102 VanDerWaalsContact O-CG 3.25Å; I99-R102 WeakPolarHBondContact O-CG 3.34Å; I99-A103 WeakPolarHBondContact O-CB 3.49Å; I99-A103 PolarHBondContact O-N 3.02Å; I99-A103 VanDerWaalsContact O-N 3.15Å
100R89.1Confident85.1Confident78 Ų7889.9 Ų89.929%0.29444%0.44SS..Hα-helixtrans-67.1-48.7175-171.5-171.5-69.6121.3-4.9111.4Y39 E50 F52 K96 R97 E98 A103 L104Y39-R100 HydrophobicContact CE1-CG 4.29Å; Y39-R100 HydrophobicContact CE2-CG 4.33Å; E50-R100 VanDerWaalsContact CD-NH2 3.25Å; E50-R100 IonicContact OE1-CZ 3.42Å; E50-R100 VanDerWaalsContact OE1-CZ 3.29Å; E50-R100 IonicContact OE1-NE 3.16Å; E50-R100 PolarHBondContact OE1-NE 3.43Å; E50-R100 IonicContact OE1-NH2 3.52Å; E50-R100 PolarHBondContact OE1-NH2 3.45Å; E50-R100 IonicContact OE2-CZ 2.7Å; E50-R100 IonicContact OE2-NH2 3.54Å; E50-R100 PolarHBondContact OE2-NH2 3.45Å; F52-R100 HydrophobicContact CE1-CB 4.25Å; K96-R100 WeakPolarHBondContact O-CB 3.29Å; K96-R100 PolarHBondContact O-N 3.42Å; K96-R100 VanDerWaalsContact O-N 3.1Å; R97-R100 WeakPolarHBondContact O-CB 3.38Å; R97-R100 PolarHBondContact O-N 2.96Å; E98-R100 VanDerWaalsContact C-N 3.29Å; E98-R100 PolarHBondContact O-N 3.14Å; R100-A103 PolarHBondContact O-N 3.35Å; R100-L104 HydrophobicContact CG-CD1 4.15Å; R100-L104 WeakPolarHBondContact O-CG 3.35Å; R100-L104 PolarHBondContact O-N 2.91Å
101E89.6Confident86.1Confident100 Ų10090.9 Ų90.947%0.46744%0.443SS..Hα-helixtrans-62.9-45.5-177.1-75178.6-173.400111.4R97 E98 A103 L104 L105R97-E101 HydrophobicContact CG-CG 4.46Å; R97-E101 IonicContact CZ-OE1 2.92Å; R97-E101 IonicContact NE-OE1 3.45Å; R97-E101 PolarHBondContact NE-OE1 3.33Å; R97-E101 IonicContact NH2-OE1 2.93Å; R97-E101 PolarHBondContact NH2-OE1 3.05Å; R97-E101 VanDerWaalsContact NH2-OE1 3.16Å; R97-E101 WeakPolarHBondContact O-CG 3.32Å; R97-E101 PolarHBondContact O-N 3.16Å; E98-E101 PolarHBondContact O-N 3.05Å; E101-A103 VanDerWaalsContact C-N 3.35Å; E101-A103 PolarHBondContact O-N 2.94Å; E101-L104 PolarHBondContact O-N 3.45Å; E101-L105 WeakPolarHBondContact O-CB 3.27Å; E101-L105 PolarHBondContact O-N 2.99Å
102R90.8Very high87.5Confident102 Ų10290 Ų9039%0.38543%0.426SS..Hα-helixtrans-63.1-40.4176.274.9-174.6-156.4126.845.4111.9E38 E98 I99 L105 T106E38-R102 VanDerWaalsContact CG-NH2 3.27Å; E38-R102 IonicContact OE1-CZ 3.32Å; E38-R102 IonicContact OE1-NH1 3.3Å; E38-R102 PolarHBondContact OE1-NH1 3.1Å; E38-R102 IonicContact OE1-NH2 2.66Å; E38-R102 PolarHBondContact OE1-NH2 3.19Å; E38-R102 IonicContact OE2-CZ 3.14Å; E38-R102 IonicContact OE2-NE 3.97Å; E38-R102 PolarHBondContact OE2-NE 3.34Å; E38-R102 IonicContact OE2-NH1 2.82Å; E38-R102 PolarHBondContact OE2-NH1 3.35Å; E38-R102 IonicContact OE2-NH2 2.79Å; E38-R102 PolarHBondContact OE2-NH2 2.91Å; E98-R102 WeakPolarHBondContact O-CB 3.41Å; E98-R102 VanDerWaalsContact O-CG 3.31Å; E98-R102 WeakPolarHBondContact O-CG 3.5Å; E98-R102 PolarHBondContact O-N 2.99Å; I99-R102 VanDerWaalsContact O-CG 3.25Å; I99-R102 WeakPolarHBondContact O-CG 3.34Å; R102-L105 PolarHBondContact O-N 3.18Å; R102-T106 PolarHBondContact O-N 3.33Å; R102-T106 PolarHBondContact O-OG1 2.99Å
103A88.6Confident88.2Confident2 Ų287.9 Ų87.92%0.01742%0.422CS..Hα-helixtrans-65.6-43-179.400000111.8T36 Y39 I99 R100 E101 T106 Q107T36-A103 HydrophobicContact CG2-CB 3.95Å; T36-A103 WeakPolarHBondContact OG1-CB 3.44Å; Y39-A103 HydrophobicContact CD1-CB 3.7Å; Y39-A103 HydrophobicContact CG-CB 3.98Å; I99-A103 WeakPolarHBondContact O-CB 3.49Å; I99-A103 PolarHBondContact O-N 3.02Å; I99-A103 VanDerWaalsContact O-N 3.15Å; R100-A103 PolarHBondContact O-N 3.35Å; E101-A103 VanDerWaalsContact C-N 3.35Å; E101-A103 PolarHBondContact O-N 2.94Å; A103-T106 PolarHBondContact O-N 3.48Å; A103-Q107 WeakPolarHBondContact O-CB 3.38Å; A103-Q107 PolarHBondContact O-N 2.85Å
104L88.3Confident88.7Confident75 Ų7583.1 Ų83.139%0.39340%0.403SS..Hα-helixtrans-64.4-41.7175.3-68.6175.2000111.7R100 E101 Q107 E108R100-L104 HydrophobicContact CG-CD1 4.15Å; R100-L104 WeakPolarHBondContact O-CG 3.35Å; R100-L104 PolarHBondContact O-N 2.91Å; E101-L104 PolarHBondContact O-N 3.45Å; L104-Q107 PolarHBondContact O-N 3.41Å; L104-E108 WeakPolarHBondContact O-CB 3.41Å; L104-E108 PolarHBondContact O-N 3.04Å
105L90.6Very high88.9Confident92 Ų9281.6 Ų81.648%0.48240%0.399SS..Hα-helixtrans-63-45.2177.5-174.868.3000111.8E101 R102 Q107 E108 Q109E101-L105 WeakPolarHBondContact O-CB 3.27Å; E101-L105 PolarHBondContact O-N 2.99Å; R102-L105 PolarHBondContact O-N 3.18Å; L105-Q107 VanDerWaalsContact C-N 3.32Å; L105-Q107 PolarHBondContact O-N 3.3Å; L105-E108 PolarHBondContact O-N 3.47Å; L105-Q109 WeakPolarHBondContact O-CB 3.39Å; L105-Q109 VanDerWaalsContact O-CG 3.29Å; L105-Q109 WeakPolarHBondContact O-CG 3.4Å; L105-Q109 PolarHBondContact O-N 3.38Å
106T88.4Confident89.3Confident76 Ų7685.9 Ų85.947%0.46641%0.414SS..Hα-helixtrans-61.5-41.7176.2-59.30000111.3R102 A103 Q109 K110R102-T106 PolarHBondContact O-N 3.33Å; R102-T106 PolarHBondContact O-OG1 2.99Å; A103-T106 PolarHBondContact O-N 3.48Å; T106-Q109 PolarHBondContact O-N 2.96Å; T106-K110 WeakPolarHBondContact O-CB 3.25Å; T106-K110 PolarHBondContact O-N 3.46Å
107Q87.1Confident89.8Confident46 Ų4689 Ų8922%0.21543%0.429CS..Hα-helixtrans-64.4-43.1177.3-174.465.53.200112V34 A103 L104 L105 K110 L111V34-Q107 HydrophobicContact CG1-CB 4.4Å; V34-Q107 HydrophobicContact CG1-CG 4.21Å; A103-Q107 WeakPolarHBondContact O-CB 3.38Å; A103-Q107 PolarHBondContact O-N 2.85Å; L104-Q107 PolarHBondContact O-N 3.41Å; L105-Q107 VanDerWaalsContact C-N 3.32Å; L105-Q107 PolarHBondContact O-N 3.3Å; Q107-K110 PolarHBondContact O-N 2.89Å; Q107-L111 HydrophobicContact CG-CD1 4.26Å; Q107-L111 WeakPolarHBondContact O-CB 3.49Å; Q107-L111 VanDerWaalsContact O-CG 3.31Å; Q107-L111 WeakPolarHBondContact O-CG 3.42Å; Q107-L111 PolarHBondContact O-N 3.42Å
108E88.5Confident90Very high132 Ų13287.4 Ų87.462%0.61743%0.426SS*.Hα-helixtrans-62-43.5175.3-175.5178.1-164.600111.4L104 L105 L111 S112L104-E108 WeakPolarHBondContact O-CB 3.41Å; L104-E108 PolarHBondContact O-N 3.04Å; L105-E108 PolarHBondContact O-N 3.47Å; E108-L111 PolarHBondContact O-N 3.15Å; E108-S112 WeakPolarHBondContact O-CB 3.49Å; E108-S112 PolarHBondContact O-N 3.17Å; E108-S112 PolarHBondContact O-OG 3.36Å
109Q91.8Very high89.8Confident109 Ų10984.2 Ų84.251%0.50942%0.421SS..Hα-helixtrans-61-45.6174.9-74175.9-1.500111.7L105 T106 S112 A113L105-Q109 WeakPolarHBondContact O-CB 3.39Å; L105-Q109 VanDerWaalsContact O-CG 3.29Å; L105-Q109 WeakPolarHBondContact O-CG 3.4Å; L105-Q109 PolarHBondContact O-N 3.38Å; T106-Q109 PolarHBondContact O-N 2.96Å; Q109-S112 PolarHBondContact O-N 3.24Å; Q109-S112 PolarHBondContact O-OG 3.38Å; Q109-A113 WeakPolarHBondContact O-CB 3.47Å; Q109-A113 PolarHBondContact O-N 3.32Å
110K88.9Confident90Very high86 Ų8689 Ų8937%0.37444%0.443SS..Hα-helixtrans-60.6-46.9177.8-164.4175.2-167.1172.50111.4D59 D60 T106 Q107 A113 E114D59-K110 IonicContact OD2-NZ 2.69Å; D59-K110 PolarHBondContact OD2-NZ 3.25Å; D60-K110 IonicContact OD1-NZ 3.26Å; D60-K110 PolarHBondContact OD1-NZ 2.9Å; T106-K110 WeakPolarHBondContact O-CB 3.25Å; T106-K110 PolarHBondContact O-N 3.46Å; Q107-K110 PolarHBondContact O-N 2.89Å; K110-A113 PolarHBondContact O-N 2.84Å; K110-E114 PolarHBondContact O-N 3.29Å
111L87.6Confident90.2Very high87 Ų8791.8 Ų91.846%0.45546%0.458SS..Hα-helixtrans-62-45.5176.3-71.6171.4000111.9Q107 E108 A113 E114 L115Q107-L111 HydrophobicContact CG-CD1 4.26Å; Q107-L111 WeakPolarHBondContact O-CB 3.49Å; Q107-L111 VanDerWaalsContact O-CG 3.31Å; Q107-L111 WeakPolarHBondContact O-CG 3.42Å; Q107-L111 PolarHBondContact O-N 3.42Å; E108-L111 PolarHBondContact O-N 3.15Å; L111-A113 PolarHBondContact O-N 2.79Å; L111-E114 PolarHBondContact O-N 3.07Å; L111-L115 WeakPolarHBondContact O-CG 3.37Å; L111-L115 PolarHBondContact O-N 3.23Å
112S91.4Very high89.9Confident49 Ų4994.6 Ų94.634%0.34346%0.464SS..Hα-helixtrans-65.3-38.217972.90000112.5E108 Q109 L115 K116E108-S112 WeakPolarHBondContact O-CB 3.49Å; E108-S112 PolarHBondContact O-N 3.17Å; E108-S112 PolarHBondContact O-OG 3.36Å; Q109-S112 PolarHBondContact O-N 3.24Å; Q109-S112 PolarHBondContact O-OG 3.38Å; S112-L115 PolarHBondContact O-N 3.49Å; S112-K116 WeakPolarHBondContact O-CG 3.49Å; S112-K116 PolarHBondContact O-N 3.45Å
113A92.8Very high89.5Confident55 Ų5594.4 Ų94.446%0.45547%0.468SS..Hα-helixtrans-65.3-42.1175.300000111.6Q109 K110 L111 K116 Q117Q109-A113 WeakPolarHBondContact O-CB 3.47Å; Q109-A113 PolarHBondContact O-N 3.32Å; K110-A113 PolarHBondContact O-N 2.84Å; L111-A113 PolarHBondContact O-N 2.79Å; A113-K116 PolarHBondContact O-N 3.48Å; A113-Q117 WeakPolarHBondContact O-CB 3.5Å; A113-Q117 PolarHBondContact O-N 2.94Å
114E92.1Very high89.7Confident87 Ų8797.2 Ų97.241%0.40749%0.49SS..Hα-helixtrans-64.3-41176.4-167.4-172.1163.500111.9K110 L111 Q117 K118K110-E114 PolarHBondContact O-N 3.29Å; L111-E114 PolarHBondContact O-N 3.07Å; E114-Q117 PolarHBondContact O-N 3.12Å; E114-K118 WeakPolarHBondContact O-CB 3.26Å; E114-K118 WeakPolarHBondContact O-CG 3.16Å; E114-K118 PolarHBondContact O-N 3.43Å; E114-K118 WeakPolarHBondContact OE1-CE 3.46Å; E114-K118 IonicContact OE1-NZ 3.29Å; E114-K118 PolarHBondContact OE1-NZ 2.85Å
115L90.4Very high89.8Confident121 Ų12199 Ų9963%0.63450%0.497SS*.Hα-helixtrans-62.6-45.6175.1-71.7174.6000111.7L111 S112 K118 A119L111-L115 WeakPolarHBondContact O-CG 3.37Å; L111-L115 PolarHBondContact O-N 3.23Å; S112-L115 PolarHBondContact O-N 3.49Å; L115-K118 PolarHBondContact O-N 3.33Å; L115-A119 WeakPolarHBondContact O-CB 3.32Å; L115-A119 PolarHBondContact O-N 3.26Å
116K91.9Very high89.4Confident137 Ų137100.1 Ų100.160%0.59650%0.498SS*.Hα-helixtrans-59.6-47175.3-75.3176-179.9-179.60111.5S112 A113 K118 A119 E120S112-K116 WeakPolarHBondContact O-CG 3.49Å; S112-K116 PolarHBondContact O-N 3.45Å; A113-K116 PolarHBondContact O-N 3.48Å; K116-K118 VanDerWaalsContact C-N 3.33Å; K116-K118 PolarHBondContact O-N 2.93Å; K116-A119 WeakPolarHBondContact O-CB 3.43Å; K116-A119 PolarHBondContact O-N 3.01Å; K116-A119 VanDerWaalsContact O-N 3.12Å; K116-E120 WeakPolarHBondContact O-CG 3.35Å; K116-E120 PolarHBondContact O-N 2.81Å
117Q94.2Very high89.4Confident133 Ų133103.6 Ų103.662%0.62151%0.506SS*.Hα-helixtrans-61.7-40.4178.3-168.9-176.52400112.2A113 E114 K121A113-Q117 WeakPolarHBondContact O-CB 3.5Å; A113-Q117 PolarHBondContact O-N 2.94Å; E114-Q117 PolarHBondContact O-N 3.12Å; Q117-K121 WeakPolarHBondContact O-CB 3.47Å; Q117-K121 PolarHBondContact O-N 3.48Å
118K90.6Very high89.7Confident121 Ų121109.1 Ų109.153%0.52653%0.527SS..Hα-helixtrans-64.3-40.7174.1-76.2175.3-175.31650111.7E114 L115 K116 R122E114-K118 WeakPolarHBondContact O-CB 3.26Å; E114-K118 WeakPolarHBondContact O-CG 3.16Å; E114-K118 PolarHBondContact O-N 3.43Å; E114-K118 WeakPolarHBondContact OE1-CE 3.46Å; E114-K118 IonicContact OE1-NZ 3.29Å; E114-K118 PolarHBondContact OE1-NZ 2.85Å; L115-K118 PolarHBondContact O-N 3.33Å; K116-K118 VanDerWaalsContact C-N 3.33Å; K116-K118 PolarHBondContact O-N 2.93Å; K118-R122 WeakPolarHBondContact O-CB 3.41Å; K118-R122 PolarHBondContact O-N 2.93Å
119A85.1Confident89.8Confident59 Ų59105.4 Ų105.449%0.48852%0.518SS..Hα-helixtrans-63.7-47.8176.400000111.5L115 K116 K121 R122 Q123L115-A119 WeakPolarHBondContact O-CB 3.32Å; L115-A119 PolarHBondContact O-N 3.26Å; K116-A119 WeakPolarHBondContact O-CB 3.43Å; K116-A119 PolarHBondContact O-N 3.01Å; K116-A119 VanDerWaalsContact O-N 3.12Å; A119-K121 PolarHBondContact O-N 3.39Å; A119-R122 WeakPolarHBondContact O-CB 3.3Å; A119-R122 PolarHBondContact O-N 3.12Å; A119-Q123 WeakPolarHBondContact O-CB 3.36Å; A119-Q123 PolarHBondContact O-N 3.5Å
120E92.2Very high89.6Confident122 Ų122104.7 Ų104.757%0.5752%0.517SS*.Hα-helixtrans-59.2-45176-73.6173.8-176.600111.8K116 R122 Q123 A124K116-E120 WeakPolarHBondContact O-CG 3.35Å; K116-E120 PolarHBondContact O-N 2.81Å; E120-R122 VanDerWaalsContact C-N 3.35Å; E120-R122 PolarHBondContact O-N 3.3Å; E120-Q123 PolarHBondContact O-N 3.26Å; E120-A124 WeakPolarHBondContact O-CB 3.25Å; E120-A124 PolarHBondContact O-N 3.25Å
121K92.4Very high89.6Confident136 Ų136106 Ų10659%0.59153%0.525SS*.Hα-helixtrans-59.5-45.7175.8-174.3179.9177.1-176.30111.4Q117 A119 Q123 A124 E125Q117-K121 WeakPolarHBondContact O-CB 3.47Å; Q117-K121 PolarHBondContact O-N 3.48Å; A119-K121 PolarHBondContact O-N 3.39Å; K121-Q123 VanDerWaalsContact C-N 3.32Å; K121-Q123 PolarHBondContact O-N 3.1Å; K121-A124 PolarHBondContact O-N 2.98Å; K121-E125 VanDerWaalsContact CE-OE1 3.23Å; K121-E125 WeakPolarHBondContact CE-OE1 3.42Å; K121-E125 WeakPolarHBondContact O-CG 3.42Å; K121-E125 PolarHBondContact O-N 3.12Å
122R83.1Confident89.9Confident159 Ų159104.6 Ų104.660%0.652%0.52SS*.Hα-helixtrans-63-38.6177-171.6-179.5-177-166.50.9111.7K118 A119 E120 K126K118-R122 WeakPolarHBondContact O-CB 3.41Å; K118-R122 PolarHBondContact O-N 2.93Å; A119-R122 WeakPolarHBondContact O-CB 3.3Å; A119-R122 PolarHBondContact O-N 3.12Å; E120-R122 VanDerWaalsContact C-N 3.35Å; E120-R122 PolarHBondContact O-N 3.3Å; R122-K126 VanDerWaalsContact O-CG 3.32Å; R122-K126 WeakPolarHBondContact O-CG 3.34Å; R122-K126 PolarHBondContact O-N 3.29Å; R122-K126 VanDerWaalsContact O-N 3.08Å
123Q84Confident89.7Confident99 Ų99107.6 Ų107.646%0.46353%0.53SS..Hα-helixtrans-68.1-42177.2-162.4-174.218.900111.2A119 E120 K121 K126 K127 D267A119-Q123 WeakPolarHBondContact O-CB 3.36Å; A119-Q123 PolarHBondContact O-N 3.5Å; E120-Q123 PolarHBondContact O-N 3.26Å; K121-Q123 VanDerWaalsContact C-N 3.32Å; K121-Q123 PolarHBondContact O-N 3.1Å; Q123-K126 PolarHBondContact O-N 3.46Å; Q123-K127 WeakPolarHBondContact O-CB 3.48Å; Q123-K127 PolarHBondContact O-N 3.21Å; Q123-D267 PolarHBondContact NE2-OD1 3.11Å
124A92.3Very high89.6Confident60 Ų60109.2 Ų109.250%0.49653%0.529SS..Hα-helixtrans-61.7-44.6175.500000111.9E120 K121 K126 K127 Y128E120-A124 WeakPolarHBondContact O-CB 3.25Å; E120-A124 PolarHBondContact O-N 3.25Å; K121-A124 PolarHBondContact O-N 2.98Å; A124-K126 PolarHBondContact O-N 3.07Å; A124-K127 PolarHBondContact O-N 3.14Å; A124-Y128 WeakPolarHBondContact O-CB 3.35Å; A124-Y128 PolarHBondContact O-N 3.48Å
125E89.5Confident89.7Confident112 Ų112110.9 Ų110.952%0.52354%0.535SS..Hα-helixtrans-60.7-44.3175.4-74172.1-175.800111.9K121 Y128 A129K121-E125 VanDerWaalsContact CE-OE1 3.23Å; K121-E125 WeakPolarHBondContact CE-OE1 3.42Å; K121-E125 WeakPolarHBondContact O-CG 3.42Å; K121-E125 PolarHBondContact O-N 3.12Å; E125-Y128 PolarHBondContact O-N 3.04Å; E125-A129 WeakPolarHBondContact O-CB 3.36Å; E125-A129 PolarHBondContact O-N 3.37Å
126K82.3Confident89.6Confident116 Ų116110.7 Ų110.750%0.50453%0.534SS..Hα-helixtrans-60.4-45.4174.7-74.8174-179.4178.90112.1R122 Q123 A124 A129 L130R122-K126 VanDerWaalsContact O-CG 3.32Å; R122-K126 WeakPolarHBondContact O-CG 3.34Å; R122-K126 PolarHBondContact O-N 3.29Å; R122-K126 VanDerWaalsContact O-N 3.08Å; Q123-K126 PolarHBondContact O-N 3.46Å; A124-K126 PolarHBondContact O-N 3.07Å; K126-A129 PolarHBondContact O-N 3.23Å; K126-L130 PolarHBondContact O-N 2.84Å
127K88.8Confident89.4Confident149 Ų149108.6 Ų108.665%0.64853%0.526SS*.Hα-helixtrans-62.9-44.4179.7-175.5179.2177.5-178.50111.2Q123 A124 L130 E131Q123-K127 WeakPolarHBondContact O-CB 3.48Å; Q123-K127 PolarHBondContact O-N 3.21Å; A124-K127 PolarHBondContact O-N 3.14Å; K127-L130 PolarHBondContact O-N 3.28Å; K127-E131 WeakPolarHBondContact O-CB 3.42Å; K127-E131 PolarHBondContact O-N 3.45Å
128Y93.9Very high89.3Confident163 Ų163108.3 Ų108.364%0.63952%0.52SS*.Hα-helixtrans-60.9-44.9175.7177.5-99.5000112A124 E125 L130 E131 T132A124-Y128 WeakPolarHBondContact O-CB 3.35Å; A124-Y128 PolarHBondContact O-N 3.48Å; E125-Y128 PolarHBondContact O-N 3.04Å; Y128-L130 VanDerWaalsContact C-N 3.33Å; Y128-L130 PolarHBondContact O-N 2.93Å; Y128-E131 PolarHBondContact O-N 3.48Å; Y128-T132 HydrophobicContact CD1-CG2 4.43Å; Y128-T132 HydrophobicContact CE1-CG2 4.01Å; Y128-T132 HydrophobicContact CE2-CG2 4.09Å; Y128-T132 WeakPolarHBondContact O-CG2 3.5Å; Y128-T132 PolarHBondContact O-N 2.91Å; Y128-T132 PolarHBondContact O-OG1 2.98Å
129A89.5Confident89.5Confident54 Ų54107.3 Ų107.345%0.44652%0.517SS..Hα-helixtrans-61.8-39.5176.100000112.4E125 K126 T132 M133E125-A129 WeakPolarHBondContact O-CB 3.36Å; E125-A129 PolarHBondContact O-N 3.37Å; K126-A129 PolarHBondContact O-N 3.23Å; A129-T132 WeakPolarHBondContact CA-OG1 3.43Å; A129-T132 PolarHBondContact O-OG1 3.46Å; A129-M133 WeakPolarHBondContact O-CB 3.15Å; A129-M133 PolarHBondContact O-N 3.44Å; A129-M133 VanDerWaalsContact O-N 3.09Å
130L87.9Confident89.6Confident93 Ų93109 Ų10949%0.48751%0.514SS..Hα-helixtrans-66.8-45.5176-179.663.4000111.8K126 K127 Y128 T132 M133 M134K126-L130 PolarHBondContact O-N 2.84Å; K127-L130 PolarHBondContact O-N 3.28Å; Y128-L130 VanDerWaalsContact C-N 3.33Å; Y128-L130 PolarHBondContact O-N 2.93Å; L130-T132 VanDerWaalsContact C-N 3.34Å; L130-T132 PolarHBondContact O-N 3.11Å; L130-M133 HydrophobicContact CD1-CE 4.02Å; L130-M133 PolarHBondContact O-N 3.36Å; L130-M134 HydrophobicContact CD1-CG 4.3Å; L130-M134 HydrophobicContact CD1-SD 4.46Å; L130-M134 HydrophobicContact CG-CG 4.41Å; L130-M134 HydrophobicContact CG-SD 4.12Å; L130-M134 WeakPolarHBondContact O-CG 3.37Å; L130-M134 PolarHBondContact O-N 3.21Å
131E90.6Very high89.4Confident115 Ų115110.5 Ų110.554%0.53752%0.515SS..Hα-helixtrans-62.5-42.3-178.9-175.6172.1-173.200111.8K127 Y128 M134 K135K127-E131 WeakPolarHBondContact O-CB 3.42Å; K127-E131 PolarHBondContact O-N 3.45Å; Y128-E131 PolarHBondContact O-N 3.48Å; E131-M134 PolarHBondContact O-N 3Å; E131-K135 WeakPolarHBondContact O-CB 3.47Å; E131-K135 PolarHBondContact O-N 3.28Å
132T92.5Very high89.5Confident56 Ų56108.7 Ų108.734%0.34451%0.512SS..Hα-helixtrans-62.9-43.4174.150.60000111.7Y128 A129 L130 K135 L136Y128-T132 HydrophobicContact CD1-CG2 4.43Å; Y128-T132 HydrophobicContact CE1-CG2 4.01Å; Y128-T132 HydrophobicContact CE2-CG2 4.09Å; Y128-T132 WeakPolarHBondContact O-CG2 3.5Å; Y128-T132 PolarHBondContact O-N 2.91Å; Y128-T132 PolarHBondContact O-OG1 2.98Å; A129-T132 WeakPolarHBondContact CA-OG1 3.43Å; A129-T132 PolarHBondContact O-OG1 3.46Å; L130-T132 VanDerWaalsContact C-N 3.34Å; L130-T132 PolarHBondContact O-N 3.11Å; T132-K135 WeakPolarHBondContact O-CB 3.38Å; T132-K135 PolarHBondContact O-N 2.9Å; T132-L136 WeakPolarHBondContact O-CG 3.3Å; T132-L136 PolarHBondContact O-N 2.9Å; T132-L136 VanDerWaalsContact O-N 3.09Å
133M88.2Confident90.1Very high113 Ų113108.8 Ų108.856%0.55751%0.512SS*.Hα-helixtrans-62.6-45.2175.7-169.81757600112.3A129 L130 K135 L136 E137A129-M133 WeakPolarHBondContact O-CB 3.15Å; A129-M133 PolarHBondContact O-N 3.44Å; A129-M133 VanDerWaalsContact O-N 3.09Å; L130-M133 HydrophobicContact CD1-CE 4.02Å; L130-M133 PolarHBondContact O-N 3.36Å; M133-K135 VanDerWaalsContact C-N 3.25Å; M133-K135 PolarHBondContact O-N 3.48Å; M133-L136 PolarHBondContact O-N 3.38Å; M133-E137 PolarHBondContact O-N 2.94Å
134M89.2Confident90.4Very high89 Ų89107.5 Ų107.544%0.43851%0.508SS..Hα-helixtrans-63.6-31.6176.9-72.1178.373.200112.6L130 E131 R138L130-M134 HydrophobicContact CD1-CG 4.3Å; L130-M134 HydrophobicContact CD1-SD 4.46Å; L130-M134 HydrophobicContact CG-CG 4.41Å; L130-M134 HydrophobicContact CG-SD 4.12Å; L130-M134 WeakPolarHBondContact O-CG 3.37Å; L130-M134 PolarHBondContact O-N 3.21Å; E131-M134 PolarHBondContact O-N 3Å; M134-R138 WeakPolarHBondContact O-CB 3.49Å; M134-R138 WeakPolarHBondContact O-CG 3.41Å; M134-R138 PolarHBondContact O-N 3.39Å; M134-R138 PolarHBondContact O-NE 3.5Å; M134-R138 VanDerWaalsContact O-NE 3.15Å
135K95.2Very high90.1Very high122 Ų122108.5 Ų108.553%0.5350%0.502SS..Hα-helixtrans-67.7-48.4175.5-174.5-178.6175.3-174.10110.6E131 T132 M133 E137 R138 E139E131-K135 WeakPolarHBondContact O-CB 3.47Å; E131-K135 PolarHBondContact O-N 3.28Å; T132-K135 WeakPolarHBondContact O-CB 3.38Å; T132-K135 PolarHBondContact O-N 2.9Å; M133-K135 VanDerWaalsContact C-N 3.25Å; M133-K135 PolarHBondContact O-N 3.48Å; K135-E137 VanDerWaalsContact C-N 3.33Å; K135-E137 PolarHBondContact O-N 3.27Å; K135-R138 PolarHBondContact O-N 3.47Å; K135-E139 WeakPolarHBondContact CE-OE1 3.4Å; K135-E139 WeakPolarHBondContact O-CG 3.4Å; K135-E139 PolarHBondContact O-N 2.91Å
136L88.8Confident90.5Very high117 Ų117109.8 Ų109.861%0.61351%0.508SS*.Hα-helixtrans-59.7-43.5175.9-69.6171.1000111.8T132 M133 R138 E139 E140T132-L136 WeakPolarHBondContact O-CG 3.3Å; T132-L136 PolarHBondContact O-N 2.9Å; T132-L136 VanDerWaalsContact O-N 3.09Å; M133-L136 PolarHBondContact O-N 3.38Å; L136-R138 PolarHBondContact O-N 2.82Å; L136-E139 PolarHBondContact O-N 3.08Å; L136-E140 PolarHBondContact O-N 2.93Å
137E86.8Confident91.1Very high92 Ų92110.4 Ų110.443%0.4351%0.514SS..Hα-helixtrans-66.2-37.3178.7-165.5-174.617400112.2M133 K135 E140 R141M133-E137 PolarHBondContact O-N 2.94Å; K135-E137 VanDerWaalsContact C-N 3.33Å; K135-E137 PolarHBondContact O-N 3.27Å; E137-E140 PolarHBondContact O-N 3Å; E137-R141 WeakPolarHBondContact O-CB 3.42Å; E137-R141 VanDerWaalsContact O-CG 3.26Å; E137-R141 WeakPolarHBondContact O-CG 3.47Å; E137-R141 PolarHBondContact O-N 3.35Å; E137-R141 IonicContact OE1-CZ 3.65Å; E137-R141 IonicContact OE1-NE 4Å; E137-R141 PolarHBondContact OE1-NE 2.9Å; E137-R141 IonicContact OE1-NH2 3.69Å; E137-R141 PolarHBondContact OE1-NH2 2.69Å
138R92.4Very high91.2Very high127 Ų127108.3 Ų108.348%0.47951%0.505SS..Hα-helixtrans-63.5-48173.7-87.4179.2-87.5145.4-10.8111.7M134 K135 L136 E140 R141 D142M134-R138 WeakPolarHBondContact O-CB 3.49Å; M134-R138 WeakPolarHBondContact O-CG 3.41Å; M134-R138 PolarHBondContact O-N 3.39Å; M134-R138 PolarHBondContact O-NE 3.5Å; M134-R138 VanDerWaalsContact O-NE 3.15Å; K135-R138 PolarHBondContact O-N 3.47Å; L136-R138 PolarHBondContact O-N 2.82Å; R138-E140 VanDerWaalsContact C-N 3.27Å; R138-E140 PolarHBondContact O-N 3.36Å; R138-R141 PolarHBondContact O-N 3.35Å; R138-D142 PolarHBondContact O-N 3.26Å
139E95.3Very high91.2Very high100 Ų100103.3 Ų103.347%0.46749%0.49SS..Hα-helixtrans-58-41.5177.1-72.2170.8-176.100111.4K135 L136 D142 R143K135-E139 WeakPolarHBondContact CE-OE1 3.4Å; K135-E139 WeakPolarHBondContact O-CG 3.4Å; K135-E139 PolarHBondContact O-N 2.91Å; L136-E139 PolarHBondContact O-N 3.08Å; E139-D142 PolarHBondContact O-N 3.16Å; E139-R143 WeakPolarHBondContact O-CB 3.41Å; E139-R143 PolarHBondContact O-N 3.49Å
140E86.5Confident91.5Very high94 Ų94102.7 Ų102.744%0.43949%0.485SS..Hα-helixtrans-67.6-42.6176.8-17257.9-150.500112.3L136 E137 R138 D142 R143 I144L136-E140 PolarHBondContact O-N 2.93Å; E137-E140 PolarHBondContact O-N 3Å; R138-E140 VanDerWaalsContact C-N 3.27Å; R138-E140 PolarHBondContact O-N 3.36Å; E140-D142 VanDerWaalsContact C-N 3.35Å; E140-D142 PolarHBondContact O-N 3.13Å; E140-R143 WeakPolarHBondContact O-CB 3.37Å; E140-R143 PolarHBondContact O-N 3.27Å; E140-I144 HydrophobicContact CG-CD1 4.14Å; E140-I144 WeakPolarHBondContact O-CG1 3.15Å; E140-I144 PolarHBondContact O-N 2.96Å
141R88.9Confident91.9Very high154 Ų154104.6 Ų104.658%0.58149%0.491SS*.Hα-helixtrans-61.7-43176.1-74.9174-176.8-162.43.7111.8E137 R138 R143 I144 Q145E137-R141 WeakPolarHBondContact O-CB 3.42Å; E137-R141 VanDerWaalsContact O-CG 3.26Å; E137-R141 WeakPolarHBondContact O-CG 3.47Å; E137-R141 PolarHBondContact O-N 3.35Å; E137-R141 IonicContact OE1-CZ 3.65Å; E137-R141 IonicContact OE1-NE 4Å; E137-R141 PolarHBondContact OE1-NE 2.9Å; E137-R141 IonicContact OE1-NH2 3.69Å; E137-R141 PolarHBondContact OE1-NH2 2.69Å; R138-R141 PolarHBondContact O-N 3.35Å; R141-R143 VanDerWaalsContact C-N 3.33Å; R141-I144 PolarHBondContact O-N 2.92Å; R141-Q145 WeakPolarHBondContact O-CB 3.39Å; R141-Q145 PolarHBondContact O-N 3.44Å
142D94.2Very high91.9Very high99 Ų99106.2 Ų106.253%0.52949%0.492SS..Hα-helixtrans-63.9-40.7177.3-71.2-16000110.9R138 E139 E140 Q145 Q146R138-D142 PolarHBondContact O-N 3.26Å; E139-D142 PolarHBondContact O-N 3.16Å; E140-D142 VanDerWaalsContact C-N 3.35Å; E140-D142 PolarHBondContact O-N 3.13Å; D142-Q145 PolarHBondContact O-N 2.98Å; D142-Q146 VanDerWaalsContact O-CG 3.32Å; D142-Q146 WeakPolarHBondContact O-CG 3.43Å; D142-Q146 PolarHBondContact O-N 2.89Å
143R96.1Very high92Very high161 Ų161110 Ų11061%0.60851%0.506SS*.Hα-helixtrans-60.7-47.5174.7-168.9-176.6-169.3171.64.6112.1E139 E140 R141 Q145 Q146 M147E139-R143 WeakPolarHBondContact O-CB 3.41Å; E139-R143 PolarHBondContact O-N 3.49Å; E140-R143 WeakPolarHBondContact O-CB 3.37Å; E140-R143 PolarHBondContact O-N 3.27Å; R141-R143 VanDerWaalsContact C-N 3.33Å; R143-Q145 VanDerWaalsContact C-N 3.3Å; R143-Q145 PolarHBondContact O-N 2.74Å; R143-Q146 PolarHBondContact O-N 2.78Å; R143-M147 WeakPolarHBondContact O-CG 3.37Å; R143-M147 PolarHBondContact O-N 3.26Å
144I88.7Confident92.4Very high71 Ų71111.3 Ų111.336%0.36451%0.509SS..Hα-helixtrans-62.3-40.6176.9-68.3167000110.5E140 R141 M147 K148E140-I144 HydrophobicContact CG-CD1 4.14Å; E140-I144 WeakPolarHBondContact O-CG1 3.15Å; E140-I144 PolarHBondContact O-N 2.96Å; R141-I144 PolarHBondContact O-N 2.92Å; I144-M147 PolarHBondContact O-N 3.46Å; I144-K148 HydrophobicContact CG2-CD 4.23Å; I144-K148 WeakPolarHBondContact O-CG 3.41Å; I144-K148 PolarHBondContact O-N 2.87Å
145Q87.8Confident92.5Very high81 Ų81110.6 Ų110.638%0.37951%0.509SS..Hα-helixtrans-65.6-44.7179.9-172.356.134.400111.5R141 D142 R143 M147 K148 D149R141-Q145 WeakPolarHBondContact O-CB 3.39Å; R141-Q145 PolarHBondContact O-N 3.44Å; D142-Q145 PolarHBondContact O-N 2.98Å; R143-Q145 VanDerWaalsContact C-N 3.3Å; R143-Q145 PolarHBondContact O-N 2.74Å; Q145-M147 VanDerWaalsContact C-N 3.31Å; Q145-M147 PolarHBondContact O-N 3.41Å; Q145-K148 PolarHBondContact O-N 3.41Å; Q145-D149 VanDerWaalsContact NE2-CG 3.27Å; Q145-D149 PolarHBondContact NE2-OD1 3.49Å; Q145-D149 VanDerWaalsContact NE2-OD1 3.08Å; Q145-D149 PolarHBondContact NE2-OD2 3.24Å; Q145-D149 PolarHBondContact O-N 3.02Å
146Q97.1Very high92.4Very high140 Ų140108.7 Ų108.765%0.65451%0.508SS*.Hα-helixtrans-58.7-41.7173.7-72.9174.69.500112.1D142 R143 D149 A150D142-Q146 VanDerWaalsContact O-CG 3.32Å; D142-Q146 WeakPolarHBondContact O-CG 3.43Å; D142-Q146 PolarHBondContact O-N 2.89Å; R143-Q146 PolarHBondContact O-N 2.78Å; Q146-D149 PolarHBondContact O-N 3.31Å; Q146-A150 VanDerWaalsContact O-CB 3.3Å; Q146-A150 WeakPolarHBondContact O-CB 3.22Å; Q146-A150 PolarHBondContact O-N 2.86Å
147M94.3Very high92.7Very high128 Ų128107.9 Ų107.963%0.63151%0.508SS*.Hα-helixtrans-61.9-44.9175.3-73.2-179.264.800112.1R143 I144 Q145 A150 E151R143-M147 WeakPolarHBondContact O-CG 3.37Å; R143-M147 PolarHBondContact O-N 3.26Å; I144-M147 PolarHBondContact O-N 3.46Å; Q145-M147 VanDerWaalsContact C-N 3.31Å; Q145-M147 PolarHBondContact O-N 3.41Å; M147-A150 PolarHBondContact O-N 3.4Å; M147-E151 WeakPolarHBondContact O-CB 3.49Å; M147-E151 PolarHBondContact O-N 2.97Å
148K92.1Very high93.1Very high105 Ų105109.8 Ų109.846%0.45752%0.517SS..Hα-helixtrans-63.1-43.8178-74.7175.5179.6175.40112.2I144 Q145 E151 R152I144-K148 HydrophobicContact CG2-CD 4.23Å; I144-K148 WeakPolarHBondContact O-CG 3.41Å; I144-K148 PolarHBondContact O-N 2.87Å; Q145-K148 PolarHBondContact O-N 3.41Å; K148-E151 PolarHBondContact O-N 2.97Å; K148-R152 WeakPolarHBondContact O-CB 3.39Å; K148-R152 VanDerWaalsContact O-CG 3.25Å; K148-R152 WeakPolarHBondContact O-CG 3.49Å; K148-R152 PolarHBondContact O-N 3.41Å
149D93.3Very high93.1Very high58 Ų58108.3 Ų108.331%0.3152%0.518SS..Hα-helixtrans-70.6-37.5-178.4-67.3-28.1000111.1Q145 Q146 E151 R152 E153Q145-D149 VanDerWaalsContact NE2-CG 3.27Å; Q145-D149 PolarHBondContact NE2-OD1 3.49Å; Q145-D149 VanDerWaalsContact NE2-OD1 3.08Å; Q145-D149 PolarHBondContact NE2-OD2 3.24Å; Q145-D149 PolarHBondContact O-N 3.02Å; Q146-D149 PolarHBondContact O-N 3.31Å; D149-E151 PolarHBondContact O-N 2.96Å; D149-R152 WeakPolarHBondContact O-CB 3.4Å; D149-R152 PolarHBondContact O-N 3.22Å; D149-R152 IonicContact OD1-NH1 3.15Å; D149-R152 PolarHBondContact OD1-NH1 3.16Å; D149-R152 VanDerWaalsContact OD1-NH1 3.16Å; D149-E153 WeakPolarHBondContact O-CG 3.48Å; D149-E153 PolarHBondContact O-N 3.39Å
150A96.1Very high93Very high42 Ų42106.2 Ų106.235%0.34752%0.517SS..Hα-helixtrans-63.2-39.6171.900000112.8Q146 M147 K154Q146-A150 VanDerWaalsContact O-CB 3.3Å; Q146-A150 WeakPolarHBondContact O-CB 3.22Å; Q146-A150 PolarHBondContact O-N 2.86Å; M147-A150 PolarHBondContact O-N 3.4Å; A150-K154 VanDerWaalsContact O-CG 3.31Å; A150-K154 WeakPolarHBondContact O-CG 3.4Å; A150-K154 PolarHBondContact O-N 3.2Å
151E95.1Very high93.4Very high133 Ų133103.6 Ų103.662%0.62151%0.512SS*.Hα-helixtrans-67.6-42175.1-168.2171.4-156.500111.3M147 K148 D149 E153 K154 T155M147-E151 WeakPolarHBondContact O-CB 3.49Å; M147-E151 PolarHBondContact O-N 2.97Å; K148-E151 PolarHBondContact O-N 2.97Å; D149-E151 PolarHBondContact O-N 2.96Å; E151-E153 PolarHBondContact O-N 2.71Å; E151-K154 PolarHBondContact O-N 3.01Å; E151-T155 WeakPolarHBondContact O-CG2 3.41Å; E151-T155 PolarHBondContact O-N 3.37Å; E151-T155 PolarHBondContact O-OG1 2.75Å
152R91Very high93.7Very high149 Ų149102.8 Ų102.856%0.56251%0.509SS*.Hα-helixtrans-57.5-48.6172.6-75.7168.5173.4178.2-6111.5K148 D149 K154 T155 T156K148-R152 WeakPolarHBondContact O-CB 3.39Å; K148-R152 VanDerWaalsContact O-CG 3.25Å; K148-R152 WeakPolarHBondContact O-CG 3.49Å; K148-R152 PolarHBondContact O-N 3.41Å; D149-R152 WeakPolarHBondContact O-CB 3.4Å; D149-R152 PolarHBondContact O-N 3.22Å; D149-R152 IonicContact OD1-NH1 3.15Å; D149-R152 PolarHBondContact OD1-NH1 3.16Å; D149-R152 VanDerWaalsContact OD1-NH1 3.16Å; R152-K154 VanDerWaalsContact C-N 3.33Å; R152-K154 PolarHBondContact O-N 2.91Å; R152-T155 WeakPolarHBondContact CA-OG1 3.23Å; R152-T155 PolarHBondContact O-N 3.21Å; R152-T155 PolarHBondContact O-OG1 3Å; R152-T156 VanDerWaalsContact O-CG2 3.32Å; R152-T156 WeakPolarHBondContact O-CG2 3.05Å; R152-T156 PolarHBondContact O-N 3.44Å; R152-T156 PolarHBondContact O-OG1 3.11Å
153E95.3Very high93.5Very high134 Ų134102.7 Ų102.763%0.62651%0.506SS*.Hα-helixtrans-60.1-41.3177.3-75.6179.2-179.300112.5D149 E151 T156 V157D149-E153 WeakPolarHBondContact O-CG 3.48Å; D149-E153 PolarHBondContact O-N 3.39Å; E151-E153 PolarHBondContact O-N 2.71Å; E153-T156 WeakPolarHBondContact CA-OG1 3.37Å; E153-T156 PolarHBondContact O-N 2.89Å; E153-T156 PolarHBondContact O-OG1 3.22Å; E153-V157 WeakPolarHBondContact O-CB 3.39Å; E153-V157 VanDerWaalsContact O-CG2 3.26Å; E153-V157 WeakPolarHBondContact O-CG2 3.3Å; E153-V157 PolarHBondContact O-N 3.39Å
154K95.7Very high93.3Very high142 Ų14299.9 Ų99.962%0.61750%0.502SS*.Hα-helixtrans-61.3-48.8174.2-73173-176.2-179.80111.5A150 E151 R152 T156 V157 E158A150-K154 VanDerWaalsContact O-CG 3.31Å; A150-K154 WeakPolarHBondContact O-CG 3.4Å; A150-K154 PolarHBondContact O-N 3.2Å; E151-K154 PolarHBondContact O-N 3.01Å; R152-K154 VanDerWaalsContact C-N 3.33Å; R152-K154 PolarHBondContact O-N 2.91Å; K154-T156 VanDerWaalsContact C-N 3.32Å; K154-T156 PolarHBondContact O-N 3.41Å; K154-V157 PolarHBondContact O-N 3.09Å; K154-E158 WeakPolarHBondContact O-CB 3.46Å; K154-E158 WeakPolarHBondContact O-CG 3.41Å; K154-E158 PolarHBondContact O-N 3.22Å
155T91.4Very high93.4Very high73 Ų73103 Ų10345%0.44851%0.509SS..Hα-helixtrans-63.4-36.1179.960.40000112.6E151 R152 E158 L159E151-T155 WeakPolarHBondContact O-CG2 3.41Å; E151-T155 PolarHBondContact O-N 3.37Å; E151-T155 PolarHBondContact O-OG1 2.75Å; R152-T155 WeakPolarHBondContact CA-OG1 3.23Å; R152-T155 PolarHBondContact O-N 3.21Å; R152-T155 PolarHBondContact O-OG1 3Å; T155-E158 PolarHBondContact O-N 3.5Å; T155-L159 VanDerWaalsContact O-CB 3.28Å; T155-L159 WeakPolarHBondContact O-CB 3.41Å; T155-L159 PolarHBondContact O-N 3.24Å
156T93.4Very high93.5Very high83 Ų83102.9 Ų102.951%0.50951%0.509SS..Hα-helixtrans-70.2-39.3177.256.80000111.7R152 E153 K154 L159 A160R152-T156 VanDerWaalsContact O-CG2 3.32Å; R152-T156 WeakPolarHBondContact O-CG2 3.05Å; R152-T156 PolarHBondContact O-N 3.44Å; R152-T156 PolarHBondContact O-OG1 3.11Å; E153-T156 WeakPolarHBondContact CA-OG1 3.37Å; E153-T156 PolarHBondContact O-N 2.89Å; E153-T156 PolarHBondContact O-OG1 3.22Å; K154-T156 VanDerWaalsContact C-N 3.32Å; K154-T156 PolarHBondContact O-N 3.41Å; T156-L159 PolarHBondContact O-N 3.41Å; T156-A160 WeakPolarHBondContact O-CB 3.45Å; T156-A160 PolarHBondContact O-N 3.19Å
157V96.3Very high93.1Very high100 Ų100102.8 Ų102.861%0.60651%0.506SS*.Hα-helixtrans-63.8-45.3173.3171.10000111E153 K154 L159 A160 A161E153-V157 WeakPolarHBondContact O-CB 3.39Å; E153-V157 VanDerWaalsContact O-CG2 3.26Å; E153-V157 WeakPolarHBondContact O-CG2 3.3Å; E153-V157 PolarHBondContact O-N 3.39Å; K154-V157 PolarHBondContact O-N 3.09Å; V157-L159 PolarHBondContact O-N 3.44Å; V157-A160 PolarHBondContact O-N 2.98Å; V157-A161 WeakPolarHBondContact O-CB 3.41Å; V157-A161 PolarHBondContact O-N 3.07Å
158E95.1Very high92.7Very high131 Ų131101.2 Ų101.261%0.61250%0.497SS*.Hα-helixtrans-61.1-43.4176.2-76.3-180-176.700112.1K154 T155 A161 W162K154-E158 WeakPolarHBondContact O-CB 3.46Å; K154-E158 WeakPolarHBondContact O-CG 3.41Å; K154-E158 PolarHBondContact O-N 3.22Å; T155-E158 PolarHBondContact O-N 3.5Å; E158-A161 PolarHBondContact O-N 3.4Å; E158-W162 WeakPolarHBondContact O-CB 3.37Å; E158-W162 PolarHBondContact O-N 2.94Å
159L91.6Very high92.3Very high96 Ų96100.5 Ų100.550%0.50350%0.496SS..Hα-helixtrans-62.4-44.5176.5-176.666.5000111.4T155 T156 V157 W162 Q163T155-L159 VanDerWaalsContact O-CB 3.28Å; T155-L159 WeakPolarHBondContact O-CB 3.41Å; T155-L159 PolarHBondContact O-N 3.24Å; T156-L159 PolarHBondContact O-N 3.41Å; V157-L159 PolarHBondContact O-N 3.44Å; L159-W162 HydrophobicContact CD1-CE3 4.4Å; L159-W162 PolarHBondContact O-N 3.09Å; L159-Q163 WeakPolarHBondContact O-CG 3.23Å; L159-Q163 PolarHBondContact O-N 3.35Å
160A93.9Very high91.7Very high56 Ų56100.6 Ų100.646%0.46350%0.504SS..Hα-helixtrans-63.3-42.7176.900000111.8T156 V157 Q163 L164T156-A160 WeakPolarHBondContact O-CB 3.45Å; T156-A160 PolarHBondContact O-N 3.19Å; V157-A160 PolarHBondContact O-N 2.98Å; A160-Q163 PolarHBondContact O-N 2.95Å; A160-L164 PolarHBondContact O-N 2.66Å
161A94.9Very high90.8Very high40 Ų40104.3 Ų104.333%0.33151%0.514SS..Hα-helixtrans-63.7-40.9175.700000111.9V157 E158 L164 R165V157-A161 WeakPolarHBondContact O-CB 3.41Å; V157-A161 PolarHBondContact O-N 3.07Å; E158-A161 PolarHBondContact O-N 3.4Å; A161-L164 PolarHBondContact O-N 3.47Å; A161-R165 PolarHBondContact O-N 2.84Å
162W93.6Very high89.8Confident137 Ų137104 Ų10452%0.51951%0.513SS..Hα-helixtrans-61.8-46.3173.6177.487.9000111.8E158 L159 L164 R165 Q166E158-W162 WeakPolarHBondContact O-CB 3.37Å; E158-W162 PolarHBondContact O-N 2.94Å; L159-W162 HydrophobicContact CD1-CE3 4.4Å; L159-W162 PolarHBondContact O-N 3.09Å; W162-L164 VanDerWaalsContact C-N 3.3Å; W162-L164 PolarHBondContact O-N 2.86Å; W162-R165 PolarHBondContact O-N 3.42Å; W162-Q166 HydrophobicContact CD2-CG 4.05Å; W162-Q166 HydrophobicContact CE3-CG 4.33Å; W162-Q166 HydrophobicContact CH2-CG 3.98Å; W162-Q166 HydrophobicContact CZ2-CG 3.66Å; W162-Q166 HydrophobicContact CZ3-CG 4.3Å; W162-Q166 WeakPolarHBondContact O-CG 3.45Å; W162-Q166 PolarHBondContact O-N 3.28Å
163Q91.1Very high88.9Confident97 Ų97102 Ų10245%0.45351%0.514SS..Hα-helixtrans-60.5-38.8176.6-73.9178.9-1.800112.4L159 A160 Q166 K167L159-Q163 WeakPolarHBondContact O-CG 3.23Å; L159-Q163 PolarHBondContact O-N 3.35Å; A160-Q163 PolarHBondContact O-N 2.95Å; Q163-Q166 PolarHBondContact O-N 3.27Å; Q163-K167 WeakPolarHBondContact O-CG 3.32Å; Q163-K167 PolarHBondContact O-N 3.23Å
164L92.1Very high87.4Confident101 Ų101101.3 Ų101.353%0.52951%0.51SS..Hα-helixtrans-66.4-44.3176.7-172.566.7000111.5A160 A161 W162 Q166 K167 Q168A160-L164 PolarHBondContact O-N 2.66Å; A161-L164 PolarHBondContact O-N 3.47Å; W162-L164 VanDerWaalsContact C-N 3.3Å; W162-L164 PolarHBondContact O-N 2.86Å; L164-Q166 VanDerWaalsContact C-N 3.33Å; L164-Q166 PolarHBondContact O-N 2.97Å; L164-K167 PolarHBondContact O-N 3.3Å; L164-Q168 WeakPolarHBondContact O-CG 3.42Å; L164-Q168 PolarHBondContact O-N 3.09Å
165R91.4Very high85.8Confident136 Ų13699 Ų9951%0.51350%0.504SS..Hα-helixtrans-56.6-46.4173.8-79.5-171.5-72.8-113.6-0.9111.5A161 W162 K167 Q168 E169A161-R165 PolarHBondContact O-N 2.84Å; W162-R165 PolarHBondContact O-N 3.42Å; R165-K167 VanDerWaalsContact C-N 3.33Å; R165-K167 PolarHBondContact O-N 2.97Å; R165-Q168 PolarHBondContact O-N 3.25Å; R165-Q168 VanDerWaalsContact O-N 3.15Å; R165-E169 WeakPolarHBondContact O-CG 3.44Å; R165-E169 PolarHBondContact O-N 3.44Å
166Q88.9Confident84.2Confident80 Ų80101 Ų10137%0.37451%0.509SS..Hα-helixtrans-60.4-40.6177.3-70.9-58.8-70.900112.8W162 Q163 L164 E169 A170W162-Q166 HydrophobicContact CD2-CG 4.05Å; W162-Q166 HydrophobicContact CE3-CG 4.33Å; W162-Q166 HydrophobicContact CH2-CG 3.98Å; W162-Q166 HydrophobicContact CZ2-CG 3.66Å; W162-Q166 HydrophobicContact CZ3-CG 4.3Å; W162-Q166 WeakPolarHBondContact O-CG 3.45Å; W162-Q166 PolarHBondContact O-N 3.28Å; Q163-Q166 PolarHBondContact O-N 3.27Å; L164-Q166 VanDerWaalsContact C-N 3.33Å; L164-Q166 PolarHBondContact O-N 2.97Å; Q166-E169 PolarHBondContact NE2-OE2 3.03Å; Q166-A170 WeakPolarHBondContact O-CB 3.36Å; Q166-A170 PolarHBondContact O-N 3.34Å
167K88.8Confident82.5Confident137 Ų137104 Ų10460%0.59652%0.517SS*.Hα-helixtrans-64.7-41174.6-75.1179.3179.2177.90112.4Q163 L164 R165 A170 Q171Q163-K167 WeakPolarHBondContact O-CG 3.32Å; Q163-K167 PolarHBondContact O-N 3.23Å; L164-K167 PolarHBondContact O-N 3.3Å; R165-K167 VanDerWaalsContact C-N 3.33Å; R165-K167 PolarHBondContact O-N 2.97Å; K167-A170 PolarHBondContact O-N 2.96Å; K167-Q171 WeakPolarHBondContact O-CG 3.3Å; K167-Q171 PolarHBondContact O-N 3.15Å
168Q86.5Confident80.5Confident96 Ų96104.3 Ų104.345%0.44951%0.514SS..Hα-helixtrans-67.2-43.9177.8-71.7179.20.100111.9L164 R165 A170 Q171 Q172L164-Q168 WeakPolarHBondContact O-CG 3.42Å; L164-Q168 PolarHBondContact O-N 3.09Å; R165-Q168 PolarHBondContact O-N 3.25Å; R165-Q168 VanDerWaalsContact O-N 3.15Å; Q168-A170 VanDerWaalsContact C-N 3.34Å; Q168-A170 PolarHBondContact O-N 3.46Å; Q168-Q171 PolarHBondContact O-N 3.47Å; Q168-Q172 WeakPolarHBondContact O-CG 3.36Å; Q168-Q172 PolarHBondContact O-N 3.24Å
169E83.1Confident78.5Confident90 Ų90105.4 Ų105.442%0.42152%0.519SS..Hα-helixtrans-59.8-43.3174.4-75.2171.1-169.500111.4R165 Q166 Q171 Q172 N173R165-E169 WeakPolarHBondContact O-CG 3.44Å; R165-E169 PolarHBondContact O-N 3.44Å; Q166-E169 PolarHBondContact NE2-OE2 3.03Å; E169-Q171 PolarHBondContact O-N 2.94Å; E169-Q172 PolarHBondContact O-N 3.26Å; E169-N173 WeakPolarHBondContact O-CB 3.34Å; E169-N173 PolarHBondContact O-N 3.02Å
170A81.5Confident76.4Confident59 Ų59108.2 Ų108.249%0.48853%0.53SS..Hα-helixtrans-61.1-42.9174.900000112.2Q166 K167 Q168 Q174Q166-A170 WeakPolarHBondContact O-CB 3.36Å; Q166-A170 PolarHBondContact O-N 3.34Å; K167-A170 PolarHBondContact O-N 2.96Å; Q168-A170 VanDerWaalsContact C-N 3.34Å; Q168-A170 PolarHBondContact O-N 3.46Å; A170-Q174 VanDerWaalsContact O-CB 3.32Å; A170-Q174 WeakPolarHBondContact O-CB 3.15Å; A170-Q174 PolarHBondContact O-N 2.92Å
171Q77.3Confident74.3Confident120 Ų120111.4 Ų111.456%0.56154%0.539SS*.Hα-helixtrans-67.3-39.8176.6-74.5175.7-0.300112.8K167 Q168 E169 Q174 N175K167-Q171 WeakPolarHBondContact O-CG 3.3Å; K167-Q171 PolarHBondContact O-N 3.15Å; Q168-Q171 PolarHBondContact O-N 3.47Å; E169-Q171 PolarHBondContact O-N 2.94Å; Q171-Q174 PolarHBondContact O-N 3.35Å; Q171-N175 WeakPolarHBondContact O-CB 3.15Å; Q171-N175 PolarHBondContact O-N 3.01Å
172Q72.9Confident72Confident127 Ų127115.6 Ų115.659%0.59356%0.563SS**Hα-helixtrans-65.1-44.9175.8-75.5-178.1-1.900111.5Q168 E169 Q174 N175 H176Q168-Q172 WeakPolarHBondContact O-CG 3.36Å; Q168-Q172 PolarHBondContact O-N 3.24Å; E169-Q172 PolarHBondContact O-N 3.26Å; Q172-Q174 VanDerWaalsContact C-N 3.29Å; Q172-Q174 PolarHBondContact O-N 3.43Å; Q172-N175 PolarHBondContact O-N 3.38Å; Q172-H176 WeakPolarHBondContact O-CB 3.33Å; Q172-H176 PolarHBondContact O-N 2.93Å
173N72.6Confident69.7Low108 Ų108112 Ų11258%0.57857%0.568SS**Hα-helixtrans-61.7-38.3174.9-75.5-16.2000111.8E169 Q177E169-N173 WeakPolarHBondContact O-CB 3.34Å; E169-N173 PolarHBondContact O-N 3.02Å; N173-Q177 PolarHBondContact O-N 3.31Å
174Q64.4Low67Low119 Ų119114.2 Ų114.256%0.55659%0.589SS**Hα-helixtrans-67.2-41.8175.3-157173.22700111.7A170 Q171 Q172 Q177 I178A170-Q174 VanDerWaalsContact O-CB 3.32Å; A170-Q174 WeakPolarHBondContact O-CB 3.15Å; A170-Q174 PolarHBondContact O-N 2.92Å; Q171-Q174 PolarHBondContact O-N 3.35Å; Q172-Q174 VanDerWaalsContact C-N 3.29Å; Q172-Q174 PolarHBondContact O-N 3.43Å; Q174-Q177 WeakPolarHBondContact O-CB 3.29Å; Q174-Q177 PolarHBondContact O-N 3.46Å; Q174-I178 HydrophobicContact CG-CD1 4.39Å; Q174-I178 WeakPolarHBondContact O-CD1 3.17Å; Q174-I178 VanDerWaalsContact O-CG1 3.22Å; Q174-I178 WeakPolarHBondContact O-CG1 3.41Å; Q174-I178 PolarHBondContact O-N 3.1Å
175N61.6Low64.5Low92 Ų92118.9 Ų118.949%0.49261%0.605SS.*Hα-helixtrans-68.3-36.9175.3-82.9-12.2000113.1Q171 Q172 Q177 I178 Q179Q171-N175 WeakPolarHBondContact O-CB 3.15Å; Q171-N175 PolarHBondContact O-N 3.01Å; Q172-N175 PolarHBondContact O-N 3.38Å; N175-Q177 VanDerWaalsContact C-N 3.33Å; N175-I178 PolarHBondContact O-N 3.19Å; N175-Q179 PolarHBondContact O-N 3.02Å
176H58.1Low62.1Low116 Ų116120.3 Ų120.354%0.53762%0.621SS.*Hα-helixtrans-64.3-37171.4-96.824.2000111.9Q172 Q180Q172-H176 WeakPolarHBondContact O-CB 3.33Å; Q172-H176 PolarHBondContact O-N 2.93Å; H176-Q180 WeakPolarHBondContact O-CB 3.43Å; H176-Q180 WeakPolarHBondContact O-CG 3.46Å; H176-Q180 PolarHBondContact O-N 3.41Å; H176-Q180 VanDerWaalsContact O-N 3.16Å
177Q56.3Low59.9Low146 Ų146122.3 Ų122.368%0.68264%0.642SS**Hα-helixtrans-66-36.3171.4-82.8177.4-7.200112.9N173 Q174 N175 N181N173-Q177 PolarHBondContact O-N 3.31Å; Q174-Q177 WeakPolarHBondContact O-CB 3.29Å; Q174-Q177 PolarHBondContact O-N 3.46Å; N175-Q177 VanDerWaalsContact C-N 3.33Å; Q177-N181 PolarHBondContact O-N 3.09Å
178I54.1Low57.2Low106 Ų106119.1 Ų119.154%0.54465%0.648SS.*Hα-helixtrans-73.5-35.1178.8-66161.7000111.8Q174 N175Q174-I178 HydrophobicContact CG-CD1 4.39Å; Q174-I178 WeakPolarHBondContact O-CD1 3.17Å; Q174-I178 VanDerWaalsContact O-CG1 3.22Å; Q174-I178 WeakPolarHBondContact O-CG1 3.41Å; Q174-I178 PolarHBondContact O-N 3.1Å; N175-I178 PolarHBondContact O-N 3.19Å
179Q53Low55Low155 Ų155121.8 Ų121.872%0.72467%0.665SS**Hα-helixtrans-75.6-25.5176.5-73.9-177.915.700113.5N175N175-Q179 PolarHBondContact O-N 3.02Å
180Q48.1Very low52.5Low154 Ų154129 Ų12972%0.7269%0.688SS**THydrogen-bonded Turntrans-88.2-3.7178.5-70.8-173.34.700114.4H176H176-Q180 WeakPolarHBondContact O-CB 3.43Å; H176-Q180 WeakPolarHBondContact O-CG 3.46Å; H176-Q180 PolarHBondContact O-N 3.41Å; H176-Q180 VanDerWaalsContact O-N 3.16Å
181N50.4Low50.5Low123 Ų123135.2 Ų135.266%0.65871%0.707SS**  trans-159.298.1174.3-102.9-25.6000113.1Q177 G183Q177-N181 PolarHBondContact O-N 3.09Å; N181-G183 PolarHBondContact O-N 3.44Å; N181-G183 VanDerWaalsContact O-N 3.15Å
182P45.5Very low48.5Very low129 Ų129135 Ų13584%0.83872%0.715SS**  trans-84.288.7166.228.2-19.2000109.5
183G45.4Very low46.5Very low61 Ų61135.8 Ų135.863%0.62972%0.723SS**  trans117.3103.1155.900000115.8N181N181-G183 PolarHBondContact O-N 3.44Å; N181-G183 VanDerWaalsContact O-N 3.15Å
184T34.6Very low44.8Very low144 Ų144137.9 Ų137.988%0.88373%0.732SS**  trans-163.3153.7139.8-5.20000111.8
185K41Very low43.3Very low199 Ų199143.3 Ų143.387%0.86575%0.748SS**  trans-72156.4-167.7-64.5173.1175.3177.20114.4
186L39.9Very low42Very low165 Ų165149.1 Ų149.186%0.86477%0.768SS**  trans-15.5147154.1-72.1157.6000116.3
187P43.2Very low40.7Very low123 Ų123150.8 Ų150.880%0.79978%0.782SS**  -155.216374.338.6-17.7000118.6
188G31.9Very low39.5Very low70 Ų70152 Ų15272%0.72279%0.792SS**  75.194.7121.100000121.4
189N39.7Very low38.6Very low152 Ų152155.3 Ų155.381%0.81381%0.806SS**  52.3119.7124.9-150.319.2000120.9
190R31.2Very low37.7Very low240 Ų240154 Ų15491%0.90681%0.808SS**  -175.399.1129.5-104.2170.4-176.2-176.42.3111.3
191Q39.2Very low37Very low190 Ų190154.8 Ų154.889%0.88881%0.812SS**  trans-81119.6157.1-93.5167.7-19.500108.6
192T34.5Very low36.2Very low117 Ų117153.5 Ų153.572%0.71881%0.812SS**  trans-89.4125155.646.30000107.2
193D31.7Very low35.4Very low143 Ų143155.2 Ų155.277%0.76581%0.814SS**  trans-160.8113.6141.9-94.7-30.5000112.8
194I37.3Very low35.1Very low151 Ų151156.9 Ų156.977%0.77482%0.822SS**  47.4106.8123.7-53.8174.5000118.9
195R33.3Very low35Very low233 Ų233159.1 Ų159.188%0.87982%0.823SS**  trans-15.4133.2147.7-69.3174171.1177.3-3.1117.2
196K34.3Very low34.9Very low214 Ų214159.6 Ų159.693%0.9382%0.824SS**  -155.8118.7120.9-105.3170.3-170.51780109.7
197N31.2Very low34.7Very low152 Ų152161.5 Ų161.581%0.81383%0.826SS**  trans-95.8130.5-178.1-159.817.4000108.3
198N31Very low34.3Very low170 Ų170165.7 Ų165.791%0.90983%0.832SS**  trans-161.494.6157.2-108.7-0.7000107.9
199Q34.8Very low34.6Very low176 Ų176172 Ų17282%0.82284%0.839SS**  trans-127.7121.9159.1-115.5175.95.200109.8
200V34.3Very low34.7Very low128 Ų128172.9 Ų172.978%0.77684%0.842SS**  trans-45.7128.6160.4173.90000109.9
201H31.8Very low35.3Very low171 Ų171172.6 Ų172.679%0.79284%0.841SS**  trans-143.1123.5142.8-97.5-70.6000109.8
202S33.4Very low35.8Very low95 Ų95167.6 Ų167.666%0.66483%0.832SS**  trans-62.8127.4163.949.90000109.9
203D30.6Very low36.8Very low165 Ų165171.4 Ų171.488%0.88284%0.842SS**  trans-137.4125152.3-93.3-39.5000110.2
204A37.2Very low38Very low97 Ų97172.2 Ų172.280%0.80285%0.845SS**  trans-85.3113.4-179.500000108.7
205E33.2Very low39.3Very low191 Ų191170.3 Ų170.389%0.89384%0.843SS**  trans-136.9127161-96.7-169.7167.600114.4
206K39.1Very low40.9Very low208 Ų208164.8 Ų164.890%0.90484%0.837SS**  trans-37.5128.8174.9-70.6156.6174.8167.90114.8
207K34.9Very low42.2Very low205 Ų205160.6 Ų160.689%0.89183%0.832SS**  trans-126.8124.2150.1-87.7-177.8178.1174.50111.5K209K207-K209 PolarHBondContact O-N 2.67Å
208K36.2Very low43.8Very low212 Ų212165 Ų16592%0.92284%0.837SS**  trans-51124.2173.9-83.3170.8169.1173.50111.1
209K37.1Very low45.7Very low201 Ų201163.7 Ų163.787%0.87484%0.835SS**  trans-83.6117.3163.5-92.8177.3174.31740109.3K207 R211K207-K209 PolarHBondContact O-N 2.67Å; K209-R211 PolarHBondContact O-N 3.04Å
210I42.7Very low47Very low172 Ų172161.5 Ų161.588%0.88284%0.838SS**  trans-73.8114158.6-65.3170.3000106
211R43Very low48.7Very low234 Ų234158.4 Ų158.488%0.88383%0.832SS**  trans-102.6104.9176.4-145.6178.9-173.1-176.71107K209 Q213K209-R211 PolarHBondContact O-N 3.04Å; R211-Q213 PolarHBondContact O-N 3.33Å
212A50.9Low50.6Low85 Ų85158.1 Ų158.170%0.70284%0.836SS**PPolyproline II helixtrans-60.9132.417000000109.1L214A212-L214 PolarHBondContact O-N 3.44Å
213Q55Low52.2Low196 Ų196160.4 Ų160.492%0.91684%0.84SS**PPolyproline II helixtrans-70.8118.3179-60.6-175.819.400108.9R211R211-Q213 PolarHBondContact O-N 3.33Å
214L57.4Low54.1Low161 Ų161158.1 Ų158.184%0.84383%0.834SS**PPolyproline II helixtrans-88.8139171-72.4165.9000109.1A212A212-L214 PolarHBondContact O-N 3.44Å
215P63.3Low55.5Low110 Ų110158.6 Ų158.671%0.71483%0.826SS**PPolyproline II helixtrans-67.4153.4177.227.7-32.7000111.3
216P68.1Low57.2Low117 Ų117155.8 Ų155.876%0.7682%0.822SS**PPolyproline II helixtrans-66.2145.9-17326.3-33.5000112.1
217P60.8Low58.6Low127 Ų127154.6 Ų154.683%0.82582%0.818SS**PPolyproline II helixtrans-68.1137.9177.528.3-32.1000110.3
218R64.6Low60.3Low245 Ų245150.6 Ų150.693%0.92581%0.81SS**PPolyproline II helixtrans-68.4150.4177.9-55.8-172.9-156.31565.1110.7
219T71.4Confident61.7Low141 Ų141145.6 Ų145.687%0.86580%0.8SS**PPolyproline II helixtrans-64.7141.8178.447.10000111.8
220C60.9Low62.7Low131 Ų131145.8 Ų145.889%0.88580%0.795SS**PPolyproline II helixtrans-77.3127.417736.60000110.7
221G71.3Confident63.4Low63 Ų63143.7 Ų143.765%0.64979%0.79SS**  trans-119.2134.1169.400000109.8I223G221-I223 PolarHBondContact O-N 3.41Å
222N71.7Confident63.5Low165 Ų165141 Ų14188%0.88279%0.785SS**  trans-80.4108.9174.8-78.920.8000109.1P224N222-P224 WeakPolarHBondContact O-CD 3.45Å
223I66.4Low63.6Low143 Ų143142.7 Ų142.773%0.73379%0.789SS**  trans-87.8115.4169.8-56.5169000106.6G221 V225G221-I223 PolarHBondContact O-N 3.41Å; I223-V225 HydrophobicContact CG2-CG2 4.24Å; I223-V225 PolarHBondContact O-N 2.86Å
224P70.3Confident63.4Low116 Ų116137.5 Ų137.575%0.75377%0.77SS**  trans-71.796.9171.528.5-30.9000108.5N222 T226N222-P224 WeakPolarHBondContact O-CD 3.45Å; P224-T226 PolarHBondContact O-N 2.75Å
225V67.7Low63Low107 Ų107134.1 Ų134.165%0.64877%0.766SS**  trans-78.8105.1172.2-177.80000107.6I223 F227I223-V225 HydrophobicContact CG2-CG2 4.24Å; I223-V225 PolarHBondContact O-N 2.86Å; V225-F227 HydrophobicContact CG1-CD2 3.95Å; V225-F227 HydrophobicContact CG1-CE2 4.11Å
226T68.5Low62.3Low132 Ų132135.5 Ų135.581%0.8177%0.766SS**  trans-88.6112.816737.40000108.3P224 T228P224-T226 PolarHBondContact O-N 2.75Å; T226-T228 PolarHBondContact O-N 3.47Å
227F69.3Low61.4Low184 Ų184140 Ų14081%0.80777%0.768SS**PPolyproline II helixtrans-75119.7174-107.7-93000108.9V225V225-F227 HydrophobicContact CG1-CD2 3.95Å; V225-F227 HydrophobicContact CG1-CE2 4.11Å
228T70.1Confident61Low120 Ų120142.7 Ų142.774%0.73677%0.77SS**PPolyproline II helixtrans-60.6127.3163.318.40000108.1T226 R230T226-T228 PolarHBondContact O-N 3.47Å; T228-R230 PolarHBondContact O-N 2.87Å
229P65.7Low60.7Low108 Ų108133.1 Ų133.170%0.70174%0.74SS**PPolyproline II helixtrans-58.9127.8176.323.2-30.6000108.1V231P229-V231 WeakPolarHBondContact O-CG2 3.47Å; P229-V231 PolarHBondContact O-N 3.02Å
230R57.5Low60.4Low205 Ų205133.3 Ų133.377%0.77473%0.725SS**  trans-65.496.5179.3-116.5169.7170.7-122-2.8108.2T228 F232 T234T228-R230 PolarHBondContact O-N 2.87Å; R230-F232 VanDerWaalsContact C-N 3.28Å; R230-T234 PolarHBondContact NH1-OG1 3.25Å
231V58.1Low60.7Low127 Ų127130 Ų13077%0.7770%0.701SS**  trans-89.84.8175.7-149.30000112.1P229 P233P229-V231 WeakPolarHBondContact O-CG2 3.47Å; P229-V231 PolarHBondContact O-N 3.02Å; V231-P233 WeakPolarHBondContact O-CD 3.47Å
232F45.6Very low60.9Low179 Ų179130.2 Ų130.279%0.78569%0.691SS**SBendtrans-89.8112.9164-74.8-80.5000107.8R230 T234R230-F232 VanDerWaalsContact C-N 3.28Å; F232-T234 PolarHBondContact O-N 2.88Å
233P52.9Low61.1Low120 Ų120126.3 Ų126.378%0.77967%0.667SS**  trans-59101.3155.926.3-27.6000103.8V231 A235V231-P233 WeakPolarHBondContact O-CD 3.47Å; P233-A235 PolarHBondContact O-N 3.42Å
234T49.7Very low61.5Low86 Ų86122.5 Ų122.553%0.52865%0.646SS.*  trans-52.3118161.2-49.50000102.4R230 F232 L236R230-T234 PolarHBondContact NH1-OG1 3.25Å; F232-T234 PolarHBondContact O-N 2.88Å; T234-L236 VanDerWaalsContact C-N 3.26Å; T234-L236 PolarHBondContact O-N 2.71Å
235A49.1Very low61.9Low91 Ų91122.9 Ų122.975%0.75264%0.638SS**  trans-48.6107.8173.100000104.3P233 R237P233-A235 PolarHBondContact O-N 3.42Å; A235-R237 PolarHBondContact O-N 2.94Å
236L47.9Very low62.6Low139 Ų139124 Ų12473%0.72864%0.636SS**  trans-6691.4-179.8-17678.4000101.7T234 E238T234-L236 VanDerWaalsContact C-N 3.26Å; T234-L236 PolarHBondContact O-N 2.71Å; L236-E238 WeakPolarHBondContact O-CA 3.43Å; L236-E238 PolarHBondContact O-N 3.3Å
237R50.7Low63.1Low211 Ų211118.9 Ų118.980%0.79660%0.602SS**THydrogen-bonded Turntrans-23.7103175173.2-173.1-143-92.5-0.7106.6A235 S239A235-R237 PolarHBondContact O-N 2.94Å; R237-S239 VanDerWaalsContact C-N 3.31Å; R237-S239 VanDerWaalsContact O-CA 3.29Å; R237-S239 WeakPolarHBondContact O-CA 3.47Å; R237-S239 PolarHBondContact O-N 2.96Å
238E52.2Low63.5Low184 Ų184114.9 Ų114.986%0.8659%0.588SS**THydrogen-bonded Turntrans-12.492.2-172.2-67.5168.9172.600110L236 R240L236-E238 WeakPolarHBondContact O-CA 3.43Å; L236-E238 PolarHBondContact O-N 3.3Å; E238-R240 PolarHBondContact O-N 2.88Å
239S57.5Low64Low44 Ų44116.3 Ų116.331%0.30858%0.584SS.*  trans-59.9116.2-166.8-164.20000106R237 V241 P242R237-S239 VanDerWaalsContact C-N 3.31Å; R237-S239 VanDerWaalsContact O-CA 3.29Å; R237-S239 WeakPolarHBondContact O-CA 3.47Å; R237-S239 PolarHBondContact O-N 2.96Å; S239-V241 PolarHBondContact O-N 3.48Å; S239-V241 VanDerWaalsContact O-N 3.08Å; S239-V241 VanDerWaalsContact OG-CB 3.26Å; S239-V241 WeakPolarHBondContact OG-CB 3.4Å; S239-V241 WeakPolarHBondContact OG-CG2 3.22Å; S239-P242 WeakPolarHBondContact O-CD 3.37Å; S239-P242 WeakPolarHBondContact O-CG 3.49Å
240R65.4Low64.6Low145 Ų145115.8 Ų115.855%0.54757%0.571SS.*SBendtrans-69.14171.1-70.4-179176.2161.1-3.8111.7E238 E243 E244E238-R240 PolarHBondContact O-N 2.88Å; R240-E243 WeakPolarHBondContact O-CB 3.43Å; R240-E243 PolarHBondContact O-N 3.25Å; R240-E243 VanDerWaalsContact O-N 3.11Å; R240-E244 WeakPolarHBondContact O-CB 3.47Å; R240-E244 WeakPolarHBondContact O-CG 3.39Å; R240-E244 PolarHBondContact O-N 2.93Å
241V67.4Low65.6Low60 Ų60107.9 Ų107.936%0.36454%0.543SS..Hα-helixtrans-54.9-49.5176.9172.30000112.5S239 E243 E244 E245S239-V241 PolarHBondContact O-N 3.48Å; S239-V241 VanDerWaalsContact O-N 3.08Å; S239-V241 VanDerWaalsContact OG-CB 3.26Å; S239-V241 WeakPolarHBondContact OG-CB 3.4Å; S239-V241 WeakPolarHBondContact OG-CG2 3.22Å; V241-E243 VanDerWaalsContact C-N 3.34Å; V241-E243 PolarHBondContact O-N 3.12Å; V241-E244 WeakPolarHBondContact O-CB 3.4Å; V241-E244 PolarHBondContact O-N 3.5Å; V241-E245 HydrophobicContact CG1-CG 4.23Å; V241-E245 WeakPolarHBondContact CG1-OE1 3.31Å; V241-E245 WeakPolarHBondContact O-CB 3.49Å; V241-E245 WeakPolarHBondContact O-CG 3.33Å; V241-E245 PolarHBondContact O-N 2.99Å
242P75.5Confident66.3Low69 Ų69103.7 Ų103.745%0.44852%0.521SS..Hα-helixtrans-52.3-45.8169.717-35000113.7S239 E244 E245 E246S239-P242 WeakPolarHBondContact O-CD 3.37Å; S239-P242 WeakPolarHBondContact O-CG 3.49Å; P242-E244 PolarHBondContact O-N 3.36Å; P242-E245 PolarHBondContact O-N 3.29Å; P242-E246 VanDerWaalsContact O-CB 3.32Å; P242-E246 WeakPolarHBondContact O-CB 3.12Å; P242-E246 VanDerWaalsContact O-CG 3.28Å; P242-E246 WeakPolarHBondContact O-CG 3.34Å; P242-E246 PolarHBondContact O-N 3.07Å
243E75.2Confident67.8Low83 Ų8399.4 Ų99.439%0.38850%0.504SS..Hα-helixtrans-66.7-37178.2-60.8179.1173.600112.1R240 V241 W247 V343R240-E243 WeakPolarHBondContact O-CB 3.43Å; R240-E243 PolarHBondContact O-N 3.25Å; R240-E243 VanDerWaalsContact O-N 3.11Å; V241-E243 VanDerWaalsContact C-N 3.34Å; V241-E243 PolarHBondContact O-N 3.12Å; E243-W247 VanDerWaalsContact O-CB 3.23Å; E243-W247 WeakPolarHBondContact O-CB 3.44Å; E243-W247 PolarHBondContact O-N 2.84Å; E243-V343 HydrophobicContact CB-CG2 4.43Å
244E76.3Confident68.7Low62 Ų6293.9 Ų93.929%0.2947%0.469SS..Hα-helixtrans-66-45174.7-81.5175.1-176.500111.6R240 V241 P242 W247 L248 V343 S344R240-E244 WeakPolarHBondContact O-CB 3.47Å; R240-E244 WeakPolarHBondContact O-CG 3.39Å; R240-E244 PolarHBondContact O-N 2.93Å; V241-E244 WeakPolarHBondContact O-CB 3.4Å; V241-E244 PolarHBondContact O-N 3.5Å; P242-E244 PolarHBondContact O-N 3.36Å; E244-W247 PolarHBondContact O-N 2.99Å; E244-L248 WeakPolarHBondContact O-CB 3.43Å; E244-L248 VanDerWaalsContact O-CG 3.28Å; E244-L248 WeakPolarHBondContact O-CG 3.44Å; E244-L248 PolarHBondContact O-N 2.52Å; E244-V343 HydrophobicContact CB-CG1 4.28Å; E244-V343 HydrophobicContact CG-CG1 3.28Å; E244-S344 PolarHBondContact OE1-OG 3.41Å
245E77.6Confident69.7Low125 Ų12595.2 Ų95.258%0.58446%0.464SS*.Hα-helixtrans-65.1-44.4176.3-75.2179.2-178.400111.6V241 P242 W247 L248 K249V241-E245 HydrophobicContact CG1-CG 4.23Å; V241-E245 WeakPolarHBondContact CG1-OE1 3.31Å; V241-E245 WeakPolarHBondContact O-CB 3.49Å; V241-E245 WeakPolarHBondContact O-CG 3.33Å; V241-E245 PolarHBondContact O-N 2.99Å; P242-E245 PolarHBondContact O-N 3.29Å; E245-W247 VanDerWaalsContact C-N 3.33Å; E245-W247 PolarHBondContact O-N 3.32Å; E245-L248 PolarHBondContact O-N 3.4Å; E245-K249 VanDerWaalsContact O-CB 3.27Å; E245-K249 WeakPolarHBondContact O-CB 3.48Å; E245-K249 PolarHBondContact O-N 3.25Å
246E81.6Confident70.5Confident129 Ų12999.6 Ų99.660%0.60346%0.461SS*.Hα-helixtrans-61-43.1173.9-78.3-178.9-176.500111.4P242 K249 K250P242-E246 VanDerWaalsContact O-CB 3.32Å; P242-E246 WeakPolarHBondContact O-CB 3.12Å; P242-E246 VanDerWaalsContact O-CG 3.28Å; P242-E246 WeakPolarHBondContact O-CG 3.34Å; P242-E246 PolarHBondContact O-N 3.07Å; E246-K249 PolarHBondContact O-N 2.95Å; E246-K250 VanDerWaalsContact O-CB 3.23Å; E246-K250 WeakPolarHBondContact O-CB 3.47Å; E246-K250 PolarHBondContact O-N 3.41Å
247W79.1Confident71.2Confident26 Ų2694.7 Ų94.710%0.09844%0.44CS..Hα-helixtrans-64.5-44.4176.4178.880.6000112.1E243 E244 E245 K249 K250 Q251 V343 A345 N346E243-W247 VanDerWaalsContact O-CB 3.23Å; E243-W247 WeakPolarHBondContact O-CB 3.44Å; E243-W247 PolarHBondContact O-N 2.84Å; E244-W247 PolarHBondContact O-N 2.99Å; E245-W247 VanDerWaalsContact C-N 3.33Å; E245-W247 PolarHBondContact O-N 3.32Å; W247-K249 VanDerWaalsContact C-N 3.35Å; W247-K249 PolarHBondContact O-N 2.95Å; W247-K250 PolarHBondContact O-N 2.77Å; W247-Q251 WeakPolarHBondContact O-CB 3.19Å; W247-Q251 PolarHBondContact O-N 3.33Å; W247-V343 HydrophobicContact CB-CG2 3.91Å; W247-V343 HydrophobicContact CG-CB 4.49Å; W247-V343 HydrophobicContact CG-CG2 4.17Å; W247-A345 HydrophobicContact CE3-CB 4.26Å; W247-A345 HydrophobicContact CH2-CB 4.09Å; W247-A345 HydrophobicContact CZ3-CB 3.69Å; W247-N346 HydrophobicContact CH2-CB 4.42Å; W247-N346 HydrophobicContact CZ2-CB 3.67Å; W247-N346 PolarHBondContact NE1-ND2 2.77Å
248L78.5Confident71.6Confident99 Ų9987.7 Ų87.752%0.51842%0.418SS..Hα-helixtrans-61.9-42.8175.4-74.9171.6000111.3E244 E245 Q251 A252E244-L248 WeakPolarHBondContact O-CB 3.43Å; E244-L248 VanDerWaalsContact O-CG 3.28Å; E244-L248 WeakPolarHBondContact O-CG 3.44Å; E244-L248 PolarHBondContact O-N 2.52Å; E245-L248 PolarHBondContact O-N 3.4Å; L248-Q251 PolarHBondContact O-N 2.97Å; L248-A252 WeakPolarHBondContact O-CB 3.48Å; L248-A252 PolarHBondContact O-N 3.47Å
249K80.3Confident71.8Confident150 Ų15080.6 Ų80.665%0.65239%0.388SS*.Hα-helixtrans-64.5-44176.4-171.5178.6179.4-177.40111.3E245 E246 W247 Q251 A252 E253E245-K249 VanDerWaalsContact O-CB 3.27Å; E245-K249 WeakPolarHBondContact O-CB 3.48Å; E245-K249 PolarHBondContact O-N 3.25Å; E246-K249 PolarHBondContact O-N 2.95Å; W247-K249 VanDerWaalsContact C-N 3.35Å; W247-K249 PolarHBondContact O-N 2.95Å; K249-Q251 VanDerWaalsContact C-N 3.32Å; K249-Q251 PolarHBondContact O-N 3.35Å; K249-A252 PolarHBondContact O-N 3.48Å; K249-E253 WeakPolarHBondContact O-CB 3.5Å; K249-E253 PolarHBondContact O-N 3.45Å
250K79.6Confident71.4Confident97 Ų9783.4 Ų83.442%0.42241%0.414SS..Hα-helixtrans-61.9-39.4175.6-174.7177.6179-178.30111.4E246 W247 A254 T340E246-K250 VanDerWaalsContact O-CB 3.23Å; E246-K250 WeakPolarHBondContact O-CB 3.47Å; E246-K250 PolarHBondContact O-N 3.41Å; W247-K250 PolarHBondContact O-N 2.77Å; K250-A254 WeakPolarHBondContact O-CB 3.48Å; K250-A254 PolarHBondContact O-N 3.08Å; K250-T340 PolarHBondContact NZ-O 3.5Å
251Q76.8Confident70.5Confident40 Ų4083.6 Ų83.619%0.18742%0.421CS..Hα-helixtrans-70.8-39.4175.9-170.217582.100112.1W247 L248 K249 A254 R255W247-Q251 WeakPolarHBondContact O-CB 3.19Å; W247-Q251 PolarHBondContact O-N 3.33Å; L248-Q251 PolarHBondContact O-N 2.97Å; K249-Q251 VanDerWaalsContact C-N 3.32Å; K249-Q251 PolarHBondContact O-N 3.35Å; Q251-A254 WeakPolarHBondContact O-CB 3.38Å; Q251-A254 PolarHBondContact O-N 2.96Å; Q251-R255 WeakPolarHBondContact O-CG 3.38Å; Q251-R255 PolarHBondContact O-N 3Å
252A74.6Confident69.8Low38 Ų3881.9 Ų81.931%0.31441%0.41SS..Hα-helixtrans-67.8-40.1175.900000112L248 K249 R255 R256L248-A252 WeakPolarHBondContact O-CB 3.48Å; L248-A252 PolarHBondContact O-N 3.47Å; K249-A252 PolarHBondContact O-N 3.48Å; A252-R255 PolarHBondContact O-N 3.34Å; A252-R256 PolarHBondContact O-N 3.46Å
253E76.3Confident68.7Low89 Ų8987 Ų8742%0.41643%0.428SS..Hα-helixtrans-64.8-43.8171.4-169.2-154.5127.500110.6K249 R255 R256 A257 K307K249-E253 WeakPolarHBondContact O-CB 3.5Å; K249-E253 PolarHBondContact O-N 3.45Å; E253-R255 VanDerWaalsContact C-N 3.3Å; E253-R255 PolarHBondContact O-N 2.92Å; E253-R256 CarbonylContact O-C 3.22Å; E253-R256 PolarHBondContact O-N 3.43Å; E253-R256 VanDerWaalsContact O-N 3.08Å; E253-A257 WeakPolarHBondContact O-CB 3.44Å; E253-A257 PolarHBondContact O-N 2.68Å; E253-K307 IonicContact OE1-NZ 3.39Å; E253-K307 PolarHBondContact OE1-NZ 3.09Å
254A71.8Confident67.6Low5 Ų590.8 Ų90.84%0.04145%0.446CS..Hα-helixtrans-55.3-45.8173.900000111.4K250 Q251 R256 A257 N305 K307K250-A254 WeakPolarHBondContact O-CB 3.48Å; K250-A254 PolarHBondContact O-N 3.08Å; Q251-A254 WeakPolarHBondContact O-CB 3.38Å; Q251-A254 PolarHBondContact O-N 2.96Å; A254-R256 VanDerWaalsContact C-N 3.34Å; A254-R256 PolarHBondContact O-N 3.43Å; A254-A257 PolarHBondContact O-N 3.41Å; A254-N305 PolarHBondContact O-ND2 3.28Å; A254-N305 PolarHBondContact O-OD1 2.82Å; A254-K307 HydrophobicContact CB-CB 3.4Å; A254-K307 VanDerWaalsContact CB-CB 3.4Å; A254-K307 HydrophobicContact CB-CD 4.13Å; A254-K307 HydrophobicContact CB-CG 4.42Å
255R69.9Low66.5Low114 Ų11488.9 Ų88.943%0.4344%0.437SS..Hα-helixtrans-64.1-34.4176-73.8-179.4-178.51387.3113.3Q251 A252 E253Q251-R255 WeakPolarHBondContact O-CG 3.38Å; Q251-R255 PolarHBondContact O-N 3Å; A252-R255 PolarHBondContact O-N 3.34Å; E253-R255 VanDerWaalsContact C-N 3.3Å; E253-R255 PolarHBondContact O-N 2.92Å
256R66.4Low65.5Low183 Ų18390.7 Ų90.769%0.69145%0.446SS*.Hα-helixtrans-79.1-32.9177.1-79.6-173.9-84.8129.6-7.4113.6A252 E253 A254 M258A252-R256 PolarHBondContact O-N 3.46Å; E253-R256 CarbonylContact O-C 3.22Å; E253-R256 PolarHBondContact O-N 3.43Å; E253-R256 VanDerWaalsContact O-N 3.08Å; A254-R256 VanDerWaalsContact C-N 3.34Å; A254-R256 PolarHBondContact O-N 3.43Å; R256-M258 PolarHBondContact O-N 3.39Å
257A62Low64.3Low35 Ų3589.8 Ų89.829%0.28945%0.445SS..  trans-76.765.4176.800000109.7E253 A254 S259 K307E253-A257 WeakPolarHBondContact O-CB 3.44Å; E253-A257 PolarHBondContact O-N 2.68Å; A254-A257 PolarHBondContact O-N 3.41Å; A257-S259 PolarHBondContact O-N 3.4Å; A257-K307 HydrophobicContact CB-CD 4.33Å
258M60.5Low63.4Low65 Ų6591 Ų9132%0.3245%0.453SS..  trans-56.7121.8156.4-69.3-94.5-6300106.6R256 A260 R273 P275R256-M258 PolarHBondContact O-N 3.39Å; M258-A260 PolarHBondContact O-N 3.09Å; M258-R273 HydrophobicContact CE-CB 4.44Å; M258-R273 HydrophobicContact CE-CG 3.65Å; M258-R273 WeakPolarHBondContact CE-O 3.48Å; M258-R273 VanDerWaalsContact SD-O 3.39Å; M258-P275 HydrophobicContact SD-CG 4.49Å
259S56.5Low62.8Low34 Ų3490 Ų9024%0.23845%0.451CS..  trans-66113.2176.261.60000107.9A257 E261 R303 L304A257-S259 PolarHBondContact O-N 3.4Å; S259-E261 PolarHBondContact O-N 3.4Å; S259-R303 PolarHBondContact OG-O 2.85Å; S259-L304 PolarHBondContact N-O 3.09Å; S259-L304 PolarHBondContact OG-O 3.04Å
260A48.4Very low61.9Low104 Ų10491.6 Ų91.686%0.8646%0.461SS*.SBendtrans-69.622.4179.400000113.5M258M258-A260 PolarHBondContact O-N 3.09Å
261E47Very low61.1Low149 Ų14993.7 Ų93.770%0.69647%0.472SS*.  trans-103.231.9-169.5-156171.8-149.600112S259 R306S259-E261 PolarHBondContact O-N 3.4Å; E261-R306 IonicContact OE2-NH2 2.99Å
262L51.3Low60.7Low24 Ų2493.7 Ų93.713%0.12647%0.472CS..  trans-134.161.4-165.9-89.3170000113.5E264 L265 R303 L304L262-E264 HydrophobicContact CD2-CB 4.32Å; L262-E264 PolarHBondContact O-N 2.82Å; L262-L265 HydrophobicContact CB-CB 4.17Å; L262-L265 HydrophobicContact CD1-CD1 4.15Å; L262-L265 HydrophobicContact CD1-CD2 4.34Å; L262-L265 HydrophobicContact CD2-CB 4.07Å; L262-L265 HydrophobicContact CD2-CD1 3.24Å; L262-L265 HydrophobicContact CD2-CG 4.13Å; L262-L265 HydrophobicContact CG-CB 4.49Å; L262-L265 HydrophobicContact CG-CD1 4.23Å; L262-L265 PolarHBondContact O-N 3.4Å; L262-R303 HydrophobicContact CD1-CB 4.25Å; L262-R303 WeakPolarHBondContact CD1-O 3.42Å; L262-L304 HydrophobicContact CD1-CD2 3.75Å; L262-L304 HydrophobicContact CD1-CG 4.4Å
263E52.3Low60.5Low177 Ų17798.6 Ų98.683%0.82748%0.483SS*.G310 helixtrans-59.4-22.2158.2-131.2168.7-172.800111.3
264E52.2Low60.6Low162 Ų16298 Ų9876%0.75748%0.482SS*.G310 helixtrans-83-4.1177.7-75.3-169150.700115.5L262L262-E264 HydrophobicContact CD2-CB 4.32Å; L262-E264 PolarHBondContact O-N 2.82Å
265L54.3Low61Low21 Ų2198 Ų9811%0.1148%0.482CS..G310 helixtrans-115.715.2-177.6-10288.8000113.5L262 D267 L268 L300 L304L262-L265 HydrophobicContact CB-CB 4.17Å; L262-L265 HydrophobicContact CD1-CD1 4.15Å; L262-L265 HydrophobicContact CD1-CD2 4.34Å; L262-L265 HydrophobicContact CD2-CB 4.07Å; L262-L265 HydrophobicContact CD2-CD1 3.24Å; L262-L265 HydrophobicContact CD2-CG 4.13Å; L262-L265 HydrophobicContact CG-CB 4.49Å; L262-L265 HydrophobicContact CG-CD1 4.23Å; L262-L265 PolarHBondContact O-N 3.4Å; L265-D267 PolarHBondContact O-N 3.13Å; L265-D267 VanDerWaalsContact O-N 3.14Å; L265-L268 HydrophobicContact CB-CD1 3.88Å; L265-L268 HydrophobicContact CD2-CD1 3.21Å; L265-L268 HydrophobicContact CG-CD1 3.28Å; L265-L268 PolarHBondContact O-N 3.38Å; L265-L268 VanDerWaalsContact O-N 3.13Å; L265-L300 HydrophobicContact CD2-CD2 4.24Å; L265-L304 HydrophobicContact CD2-CD2 3.87Å; L265-L304 HydrophobicContact CD2-CG 4.15Å
266E55.3Low61.7Low164 Ų16494.6 Ų94.677%0.76647%0.473SS*.THydrogen-bonded Turntrans-60.2-19.1176.6-75.5-170.9152.900114.2L268E266-L268 VanDerWaalsContact C-N 3.28Å; E266-L268 PolarHBondContact O-N 2.95Å
267D57.8Low62.7Low110 Ų11089.8 Ų89.859%0.58845%0.454SS*.THydrogen-bonded Turntrans-76-9.7176.9-71.9-36.3000113.8Q123 L265Q123-D267 PolarHBondContact NE2-OD1 3.11Å; L265-D267 PolarHBondContact O-N 3.13Å; L265-D267 VanDerWaalsContact O-N 3.14Å
268L59.8Low63.9Low50 Ų5088.3 Ų88.326%0.26244%0.441SS..SBendtrans-90.4137178.8-73.9131.1000111.1L265 E266 E272L265-L268 HydrophobicContact CB-CD1 3.88Å; L265-L268 HydrophobicContact CD2-CD1 3.21Å; L265-L268 HydrophobicContact CG-CD1 3.28Å; L265-L268 PolarHBondContact O-N 3.38Å; L265-L268 VanDerWaalsContact O-N 3.13Å; E266-L268 VanDerWaalsContact C-N 3.28Å; E266-L268 PolarHBondContact O-N 2.95Å; L268-E272 HydrophobicContact CB-CB 3.88Å; L268-E272 HydrophobicContact CD2-CB 3.65Å; L268-E272 HydrophobicContact CD2-CG 4.18Å; L268-E272 HydrophobicContact CG-CB 4.38Å
269T64.9Low65.3Low79 Ų7987.6 Ų87.649%0.48544%0.437SS..  trans-58.6154.717755.40000111.4E271 E272 R273T269-E271 PolarHBondContact O-N 3.15Å; T269-E272 PolarHBondContact N-OE2 3.39Å; T269-E272 WeakPolarHBondContact O-CA 3.46Å; T269-E272 WeakPolarHBondContact O-CB 3.48Å; T269-E272 PolarHBondContact O-N 3.09Å; T269-E272 VanDerWaalsContact OG1-CD 3.24Å; T269-E272 WeakPolarHBondContact OG1-CG 3.16Å; T269-E272 PolarHBondContact OG1-OE2 3.32Å; T269-R273 PolarHBondContact O-N 2.87Å; T269-R273 VanDerWaalsContact O-N 3.09Å
270E62.7Low67Low184 Ų18491.9 Ų91.986%0.8645%0.453SS*.THydrogen-bonded Turntrans-53.8-31.8179.2-76.7-174.3153.900112.8R273E270-R273 WeakPolarHBondContact O-CB 3.39Å; E270-R273 PolarHBondContact O-N 3Å
271E63.3Low69Low140 Ų14091.2 Ų91.265%0.65443%0.431SS*.THydrogen-bonded Turntrans-68.7-40.2175.1-60.6-175.1171.800112.7T269 R273 N274 W277T269-E271 PolarHBondContact O-N 3.15Å; E271-R273 PolarHBondContact O-N 3.19Å; E271-N274 WeakPolarHBondContact O-CB 3.29Å; E271-N274 PolarHBondContact O-N 3.36Å; E271-N274 VanDerWaalsContact O-N 3.17Å; E271-W277 WeakPolarHBondContact O-CB 3.49Å
272E67.7Low71.2Confident41 Ų4184.1 Ų84.119%0.19240%0.398CS..THydrogen-bonded Turntrans-71.4-19.1177.1-72.3174.813600112.8L268 T269 N274 W277 L278L268-E272 HydrophobicContact CB-CB 3.88Å; L268-E272 HydrophobicContact CD2-CB 3.65Å; L268-E272 HydrophobicContact CD2-CG 4.18Å; L268-E272 HydrophobicContact CG-CB 4.38Å; T269-E272 PolarHBondContact N-OE2 3.39Å; T269-E272 WeakPolarHBondContact O-CA 3.46Å; T269-E272 WeakPolarHBondContact O-CB 3.48Å; T269-E272 PolarHBondContact O-N 3.09Å; T269-E272 VanDerWaalsContact OG1-CD 3.24Å; T269-E272 WeakPolarHBondContact OG1-CG 3.16Å; T269-E272 PolarHBondContact OG1-OE2 3.32Å; E272-N274 PolarHBondContact O-N 3.25Å; E272-W277 HydrophobicContact CB-CZ3 4.23Å; E272-W277 HydrophobicContact CG-CE3 4.15Å; E272-W277 HydrophobicContact CG-CH2 3.53Å; E272-W277 HydrophobicContact CG-CZ2 4.18Å; E272-W277 HydrophobicContact CG-CZ3 3.55Å; E272-L278 WeakPolarHBondContact O-CD1 3.23Å
273R69.4Low73.2Confident140 Ų14085.5 Ų85.553%0.52841%0.405SS..THydrogen-bonded Turntrans-74.4-7.4172.6-143.4-174.1173.5162.60.1112.8M258 T269 E270 E271 L304M258-R273 HydrophobicContact CE-CB 4.44Å; M258-R273 HydrophobicContact CE-CG 3.65Å; M258-R273 WeakPolarHBondContact CE-O 3.48Å; M258-R273 VanDerWaalsContact SD-O 3.39Å; T269-R273 PolarHBondContact O-N 2.87Å; T269-R273 VanDerWaalsContact O-N 3.09Å; E270-R273 WeakPolarHBondContact O-CB 3.39Å; E270-R273 PolarHBondContact O-N 3Å; E271-R273 PolarHBondContact O-N 3.19Å; R273-L304 HydrophobicContact CG-CD2 4.2Å
274N79.3Confident75.3Confident76 Ų7684 Ų8441%0.40640%0.395SS..  trans-85.3120.6176.4-170.7-21.6000111.5E271 E272 D276 W277 L278E271-N274 WeakPolarHBondContact O-CB 3.29Å; E271-N274 PolarHBondContact O-N 3.36Å; E271-N274 VanDerWaalsContact O-N 3.17Å; E272-N274 PolarHBondContact O-N 3.25Å; N274-D276 PolarHBondContact O-N 3.37Å; N274-D276 PolarHBondContact OD1-N 2.94Å; N274-W277 HydrophobicContact CB-CB 4.09Å; N274-W277 WeakPolarHBondContact O-CB 3.47Å; N274-W277 PolarHBondContact O-N 3.44Å; N274-W277 VanDerWaalsContact O-N 3.09Å; N274-L278 PolarHBondContact O-N 3.46Å
275P80.5Confident77.2Confident6 Ų677.6 Ų77.64%0.03937%0.368CS..Hα-helixtrans-61.5-28.9179.224.6-34.6000113.3M258 K279 N305M258-P275 HydrophobicContact SD-CG 4.49Å; P275-K279 WeakPolarHBondContact O-CB 3.23Å; P275-K279 PolarHBondContact O-N 2.88Å; P275-N305 HydrophobicContact CB-CB 4Å; P275-N305 HydrophobicContact CG-CB 4.29Å
276D84.4Confident79.2Confident43 Ų4379.6 Ų79.623%0.2338%0.377CS..Hα-helixtrans-72.8-33176.5-82.2-52.8000112.4N274 K279 Q280N274-D276 PolarHBondContact O-N 3.37Å; N274-D276 PolarHBondContact OD1-N 2.94Å; D276-K279 WeakPolarHBondContact O-CB 3.28Å; D276-K279 PolarHBondContact O-N 3.02Å; D276-K279 IonicContact OD1-NZ 3.79Å; D276-K279 PolarHBondContact OD1-NZ 3.08Å; D276-Q280 WeakPolarHBondContact O-CG 3.46Å; D276-Q280 PolarHBondContact O-N 3.46Å
277W87.1Confident81.1Confident82 Ų8276.4 Ų76.431%0.31137%0.372SS..Hα-helixtrans-66.6-45.2174.2-175.3100.1000110.9E271 E272 N274 K279 Q280 K281E271-W277 WeakPolarHBondContact O-CB 3.49Å; E272-W277 HydrophobicContact CB-CZ3 4.23Å; E272-W277 HydrophobicContact CG-CE3 4.15Å; E272-W277 HydrophobicContact CG-CH2 3.53Å; E272-W277 HydrophobicContact CG-CZ2 4.18Å; E272-W277 HydrophobicContact CG-CZ3 3.55Å; N274-W277 HydrophobicContact CB-CB 4.09Å; N274-W277 WeakPolarHBondContact O-CB 3.47Å; N274-W277 PolarHBondContact O-N 3.44Å; N274-W277 VanDerWaalsContact O-N 3.09Å; W277-K279 VanDerWaalsContact C-N 3.29Å; W277-K279 PolarHBondContact O-N 3.14Å; W277-Q280 PolarHBondContact O-N 3.36Å; W277-Q280 VanDerWaalsContact O-N 3.14Å; W277-K281 HydrophobicContact CE3-CB 4.33Å; W277-K281 HydrophobicContact CE3-CD 4.19Å; W277-K281 HydrophobicContact CH2-CD 3.37Å; W277-K281 HydrophobicContact CZ2-CD 4.27Å; W277-K281 HydrophobicContact CZ3-CB 4.22Å; W277-K281 HydrophobicContact CZ3-CD 3.28Å; W277-K281 HydrophobicContact CZ3-CG 4.39Å; W277-K281 PolarHBondContact O-N 3.48Å
278L87.6Confident82.8Confident3 Ų377 Ų772%0.01638%0.376CS..Hα-helixtrans-63.5-36.1176.3-75.1170.5000112.5E272 N274 K281 G282 L300 L304E272-L278 WeakPolarHBondContact O-CD1 3.23Å; N274-L278 PolarHBondContact O-N 3.46Å; L278-K281 PolarHBondContact O-N 3.41Å; L278-G282 PolarHBondContact O-N 3.33Å; L278-L300 HydrophobicContact CD1-CB 4.07Å; L278-L300 HydrophobicContact CD2-CB 4.3Å; L278-L304 HydrophobicContact CD1-CD1 3.43Å; L278-L304 VanDerWaalsContact CD1-CD1 3.43Å; L278-L304 HydrophobicContact CD1-CG 4.49Å
279K90.2Very high84.4Confident50 Ų5076.4 Ų76.422%0.21738%0.381CS..Hα-helixtrans-59-50.8171.4-170.4-170.376.9-1530110.8P275 D276 W277 K281 G282 D283 Y298 A310 L311P275-K279 WeakPolarHBondContact O-CB 3.23Å; P275-K279 PolarHBondContact O-N 2.88Å; D276-K279 WeakPolarHBondContact O-CB 3.28Å; D276-K279 PolarHBondContact O-N 3.02Å; D276-K279 IonicContact OD1-NZ 3.79Å; D276-K279 PolarHBondContact OD1-NZ 3.08Å; W277-K279 VanDerWaalsContact C-N 3.29Å; W277-K279 PolarHBondContact O-N 3.14Å; K279-K281 VanDerWaalsContact C-N 3.34Å; K279-K281 PolarHBondContact O-N 3.05Å; K279-G282 PolarHBondContact O-N 3.37Å; K279-D283 PolarHBondContact O-N 2.99Å; K279-Y298 HydrophobicContact CG-CE1 4.36Å; K279-A310 HydrophobicContact CD-CB 4.34Å; K279-L311 HydrophobicContact CB-CD2 3.78Å; K279-L311 HydrophobicContact CG-CD2 4.03Å
280Q91.5Very high85.8Confident125 Ų12576.4 Ų76.458%0.58438%0.378SS*.Hα-helixtrans-62.5-39.6179.3-70.6175.33400112.4D276 W277 D283 K284D276-Q280 WeakPolarHBondContact O-CG 3.46Å; D276-Q280 PolarHBondContact O-N 3.46Å; W277-Q280 PolarHBondContact O-N 3.36Å; W277-Q280 VanDerWaalsContact O-N 3.14Å; Q280-D283 PolarHBondContact O-N 3.16Å; Q280-K284 WeakPolarHBondContact O-CB 3.49Å; Q280-K284 PolarHBondContact O-N 3.39Å
281K91Very high87.3Confident90 Ų9071 Ų7139%0.39135%0.351SS..Hα-helixtrans-61.1-46.1174.1-177.3167.7178.41780111.1W277 L278 K279 K284 C285 A297W277-K281 HydrophobicContact CE3-CB 4.33Å; W277-K281 HydrophobicContact CE3-CD 4.19Å; W277-K281 HydrophobicContact CH2-CD 3.37Å; W277-K281 HydrophobicContact CZ2-CD 4.27Å; W277-K281 HydrophobicContact CZ3-CB 4.22Å; W277-K281 HydrophobicContact CZ3-CD 3.28Å; W277-K281 HydrophobicContact CZ3-CG 4.39Å; W277-K281 PolarHBondContact O-N 3.48Å; L278-K281 PolarHBondContact O-N 3.41Å; K279-K281 VanDerWaalsContact C-N 3.34Å; K279-K281 PolarHBondContact O-N 3.05Å; K281-K284 PolarHBondContact O-N 2.83Å; K281-C285 PolarHBondContact O-N 3.29Å; K281-C285 PolarHBondContact O-SG 3.43Å; K281-C285 VanDerWaalsContact O-SG 3.4Å; K281-A297 HydrophobicContact CG-CB 4.44Å
282G93.2Very high88.8Confident0 Ų068.2 Ų68.20%034%0.343CS..Hα-helixtrans-59.7-43.9173.800000112.5L278 K279 K284 C285 F286 Y298L278-G282 PolarHBondContact O-N 3.33Å; K279-G282 PolarHBondContact O-N 3.37Å; G282-K284 VanDerWaalsContact C-N 3.31Å; G282-K284 PolarHBondContact O-N 2.98Å; G282-C285 PolarHBondContact O-N 3.03Å; G282-F286 WeakPolarHBondContact O-CB 3.22Å; G282-F286 PolarHBondContact O-N 3.46Å; G282-Y298 PolarHBondContact O-OH 3.26Å
283D93.8Very high90Very high52 Ų5267.2 Ų67.228%0.27834%0.343SS..Hα-helixtrans-63.3-37.9178.6-64-16.9000111.2K279 Q280 F286 S287 Y298 N314K279-D283 PolarHBondContact O-N 2.99Å; Q280-D283 PolarHBondContact O-N 3.16Å; D283-F286 PolarHBondContact O-N 3.44Å; D283-S287 WeakPolarHBondContact O-CB 3.43Å; D283-S287 PolarHBondContact O-N 2.91Å; D283-S287 PolarHBondContact O-OG 2.98Å; D283-Y298 WeakPolarHBondContact CA-OH 3.21Å; D283-Y298 PolarHBondContact N-OH 3.21Å; D283-Y298 VanDerWaalsContact N-OH 3.12Å; D283-Y298 PolarHBondContact OD1-OH 3.31Å; D283-N314 PolarHBondContact OD1-ND2 3.31Å
284K94.8Very high91.2Very high145 Ų14560.5 Ų60.563%0.6332%0.318SS*.Hα-helixtrans-66.6-45.7174.2-171.4175.7-178.31780111.8Q280 K281 G282 F286 S287 N288Q280-K284 WeakPolarHBondContact O-CB 3.49Å; Q280-K284 PolarHBondContact O-N 3.39Å; K281-K284 PolarHBondContact O-N 2.83Å; G282-K284 VanDerWaalsContact C-N 3.31Å; G282-K284 PolarHBondContact O-N 2.98Å; K284-F286 VanDerWaalsContact C-N 3.33Å; K284-F286 PolarHBondContact O-N 3.38Å; K284-S287 PolarHBondContact O-N 3.44Å; K284-N288 WeakPolarHBondContact O-CB 3.39Å; K284-N288 PolarHBondContact O-N 3.3Å; K284-N288 PolarHBondContact O-OD1 2.85Å
285C93.4Very high92Very high28 Ų2857.7 Ų57.719%0.18930%0.304CS..Hα-helixtrans-59.7-44174.4-71.80000111.5K281 G282 S287 N288 G289 D290 A294K281-C285 PolarHBondContact O-N 3.29Å; K281-C285 PolarHBondContact O-SG 3.43Å; K281-C285 VanDerWaalsContact O-SG 3.4Å; G282-C285 PolarHBondContact O-N 3.03Å; C285-S287 PolarHBondContact O-N 3.14Å; C285-N288 CarbonylContact O-C 3.58Å; C285-N288 PolarHBondContact O-N 3.21Å; C285-G289 PolarHBondContact O-N 2.85Å; C285-D290 CarbonylContact C-O 3.48Å; C285-D290 PolarHBondContact O-N 3.32Å; C285-A294 HydrophobicContact CB-CB 3.81Å
286F95.4Very high92.6Very high64 Ų6462 Ų6228%0.28133%0.326SS..Hα-helixtrans-61.5-43.8177.3-174.8-91.5000112G282 D283 K284 N288 G289 Y291 A294 A317 C318 K321G282-F286 WeakPolarHBondContact O-CB 3.22Å; G282-F286 PolarHBondContact O-N 3.46Å; D283-F286 PolarHBondContact O-N 3.44Å; K284-F286 VanDerWaalsContact C-N 3.33Å; K284-F286 PolarHBondContact O-N 3.38Å; F286-N288 VanDerWaalsContact C-N 3.27Å; F286-N288 PolarHBondContact O-N 3.03Å; F286-G289 PolarHBondContact O-N 2.91Å; F286-Y291 AromaticContact CD2-CD1 3.67Å; F286-Y291 HydrophobicContact CD2-CD1 3.67Å; F286-Y291 AromaticContact CD2-CE1 3.89Å; F286-Y291 HydrophobicContact CD2-CE1 3.89Å; F286-Y291 AromaticContact CE2-CD1 3.82Å; F286-Y291 HydrophobicContact CE2-CD1 3.82Å; F286-Y291 AromaticContact CE2-CE1 3.79Å; F286-Y291 HydrophobicContact CE2-CE1 3.79Å; F286-Y291 HydrophobicContact CG-CD1 4.49Å; F286-Y291 HydrophobicContact CG-CE1 4.47Å; F286-Y291 HydrophobicContact CZ-CE1 4.28Å; F286-A294 HydrophobicContact CB-CB 4.24Å; F286-A317 HydrophobicContact CE2-CB 4.28Å; F286-A317 HydrophobicContact CZ-CB 4.47Å; F286-C318 VanDerWaalsContact CD2-SG 3.5Å; F286-K321 HydrophobicContact CE2-CG 4.18Å; F286-K321 HydrophobicContact CZ-CG 4.4Å
287S94.5Very high92.9Very high97 Ų9760.3 Ų60.368%0.67832%0.318SS*.Hα-helixtrans-64.8-32.6177.3-56.90000112.2D283 K284 C285 G289D283-S287 WeakPolarHBondContact O-CB 3.43Å; D283-S287 PolarHBondContact O-N 2.91Å; D283-S287 PolarHBondContact O-OG 2.98Å; K284-S287 PolarHBondContact O-N 3.44Å; C285-S287 PolarHBondContact O-N 3.14Å; S287-G289 PolarHBondContact O-N 3.02Å
288N94.3Very high93.2Very high123 Ų12356.5 Ų56.566%0.65830%0.304SS*.THydrogen-bonded Turntrans-78-2.8175.1-68.3-6.7000113.5K284 C285 F286 D290K284-N288 WeakPolarHBondContact O-CB 3.39Å; K284-N288 PolarHBondContact O-N 3.3Å; K284-N288 PolarHBondContact O-OD1 2.85Å; C285-N288 CarbonylContact O-C 3.58Å; C285-N288 PolarHBondContact O-N 3.21Å; F286-N288 VanDerWaalsContact C-N 3.27Å; F286-N288 PolarHBondContact O-N 3.03Å; N288-D290 VanDerWaalsContact C-N 3.27Å; N288-D290 PolarHBondContact O-N 2.83Å
289G92.9Very high93.5Very high37 Ų3757.7 Ų57.738%0.38131%0.312SS..THydrogen-bonded Turntrans79.71.7-17700000114.9C285 F286 S287 Y291C285-G289 PolarHBondContact O-N 2.85Å; F286-G289 PolarHBondContact O-N 2.91Å; S287-G289 PolarHBondContact O-N 3.02Å; G289-Y291 WeakPolarHBondContact O-CD2 3.2Å; G289-Y291 PolarHBondContact O-N 2.96Å; G289-Y291 VanDerWaalsContact O-N 3.11Å
290D94.8Very high93.4Very high79 Ų7957.3 Ų57.342%0.42231%0.312SS..  trans-8482.4173.418012.3000110.4C285 N288 V292 G293 A294C285-D290 CarbonylContact C-O 3.48Å; C285-D290 PolarHBondContact O-N 3.32Å; N288-D290 VanDerWaalsContact C-N 3.27Å; N288-D290 PolarHBondContact O-N 2.83Å; D290-V292 VanDerWaalsContact C-N 3.34Å; D290-V292 PolarHBondContact OD1-N 3.2Å; D290-G293 PolarHBondContact OD1-N 2.93Å; D290-G293 WeakPolarHBondContact OD2-CA 3.41Å; D290-A294 WeakPolarHBondContact O-CB 3.3Å; D290-A294 PolarHBondContact O-N 3.44Å; D290-A294 VanDerWaalsContact O-N 3.09Å
291Y94.5Very high93.2Very high70 Ų7051.3 Ų51.328%0.27528%0.284SS..Hα-helixtrans-70.6-29-178.7-52.4-55.9000113F286 G289 V295 K321 L322F286-Y291 AromaticContact CD2-CD1 3.67Å; F286-Y291 HydrophobicContact CD2-CD1 3.67Å; F286-Y291 AromaticContact CD2-CE1 3.89Å; F286-Y291 HydrophobicContact CD2-CE1 3.89Å; F286-Y291 AromaticContact CE2-CD1 3.82Å; F286-Y291 HydrophobicContact CE2-CD1 3.82Å; F286-Y291 AromaticContact CE2-CE1 3.79Å; F286-Y291 HydrophobicContact CE2-CE1 3.79Å; F286-Y291 HydrophobicContact CG-CD1 4.49Å; F286-Y291 HydrophobicContact CG-CE1 4.47Å; F286-Y291 HydrophobicContact CZ-CE1 4.28Å; G289-Y291 WeakPolarHBondContact O-CD2 3.2Å; G289-Y291 PolarHBondContact O-N 2.96Å; G289-Y291 VanDerWaalsContact O-N 3.11Å; Y291-V295 VanDerWaalsContact O-CG2 3.3Å; Y291-V295 WeakPolarHBondContact O-CG2 3.2Å; Y291-V295 PolarHBondContact O-N 2.92Å; Y291-K321 HydrophobicContact CD1-CB 3.98Å; Y291-K321 HydrophobicContact CD1-CG 4.2Å; Y291-K321 HydrophobicContact CD2-CB 3.81Å; Y291-K321 HydrophobicContact CE1-CB 4.04Å; Y291-K321 HydrophobicContact CE1-CG 3.89Å; Y291-K321 HydrophobicContact CE2-CB 3.85Å; Y291-K321 HydrophobicContact CE2-CG 4.35Å; Y291-K321 HydrophobicContact CG-CB 3.87Å; Y291-L322 HydrophobicContact CD2-CD2 4.48Å
292V94.6Very high93.2Very high82 Ų8247.7 Ų47.750%0.49727%0.269SS..Hα-helixtrans-73.3-45.6179.5-1800000110.1D290 A294 V295 N296 L322D290-V292 VanDerWaalsContact C-N 3.34Å; D290-V292 PolarHBondContact OD1-N 3.2Å; V292-A294 VanDerWaalsContact C-N 3.28Å; V292-A294 PolarHBondContact O-N 3.44Å; V292-V295 PolarHBondContact O-N 2.81Å; V292-N296 PolarHBondContact O-N 3.1Å; V292-L322 HydrophobicContact CG2-CD1 4.09Å; V292-L322 HydrophobicContact CG2-CD2 3.91Å
293G92.6Very high92.9Very high19 Ų1953.3 Ų53.320%0.19629%0.29CS..Hα-helixtrans-58.6-40.9172.300000112.1D290 N296 A297D290-G293 PolarHBondContact OD1-N 2.93Å; D290-G293 WeakPolarHBondContact OD2-CA 3.41Å; G293-N296 PolarHBondContact O-N 2.85Å; G293-A297 PolarHBondContact O-N 3.47Å
294A94.8Very high92.4Very high0 Ų051 Ų510%028%0.278CS..Hα-helixtrans-62-45.5175.200000112.5C285 F286 D290 V292 N296 A297 Y298C285-A294 HydrophobicContact CB-CB 3.81Å; F286-A294 HydrophobicContact CB-CB 4.24Å; D290-A294 WeakPolarHBondContact O-CB 3.3Å; D290-A294 PolarHBondContact O-N 3.44Å; D290-A294 VanDerWaalsContact O-N 3.09Å; V292-A294 VanDerWaalsContact C-N 3.28Å; V292-A294 PolarHBondContact O-N 3.44Å; A294-N296 VanDerWaalsContact C-N 3.29Å; A294-N296 PolarHBondContact O-N 2.85Å; A294-A297 PolarHBondContact O-N 3.29Å; A294-Y298 HydrophobicContact CB-CD2 4.45Å; A294-Y298 HydrophobicContact CB-CE2 4.07Å; A294-Y298 WeakPolarHBondContact O-CD2 3.14Å; A294-Y298 PolarHBondContact O-N 2.69Å
295V95.7Very high91.8Very high17 Ų1744 Ų4410%0.10325%0.248CC..Hα-helixtrans-57.9-42.2175.51680000111.4Y291 V292 S299 R315 C318 L322Y291-V295 VanDerWaalsContact O-CG2 3.3Å; Y291-V295 WeakPolarHBondContact O-CG2 3.2Å; Y291-V295 PolarHBondContact O-N 2.92Å; V292-V295 PolarHBondContact O-N 2.81Å; V295-S299 VanDerWaalsContact O-CB 3.23Å; V295-S299 WeakPolarHBondContact O-CB 3.45Å; V295-S299 PolarHBondContact O-N 3.24Å; V295-S299 PolarHBondContact O-OG 3.49Å; V295-R315 HydrophobicContact CG1-CG 4.41Å; V295-R315 HydrophobicContact CG2-CG 4.4Å; V295-C318 HydrophobicContact CG2-CB 3.48Å; V295-C318 VanDerWaalsContact CG2-CB 3.48Å; V295-L322 HydrophobicContact CG2-CD1 4.02Å
296N92.9Very high91.5Very high96 Ų9649.7 Ų49.751%0.51327%0.265SS..Hα-helixtrans-64.6-45.5178.5-71.5-21.2000111.6V292 G293 A294 S299 L300V292-N296 PolarHBondContact O-N 3.1Å; G293-N296 PolarHBondContact O-N 2.85Å; A294-N296 VanDerWaalsContact C-N 3.29Å; A294-N296 PolarHBondContact O-N 2.85Å; N296-S299 PolarHBondContact O-N 3.27Å; N296-L300 WeakPolarHBondContact O-CG 3.4Å; N296-L300 PolarHBondContact O-N 3.13Å
297A91.6Very high91.1Very high7 Ų751 Ų516%0.05827%0.271CS..Hα-helixtrans-61.6-46.4177.300000112.2K281 G293 A294 S299 L300 G301K281-A297 HydrophobicContact CG-CB 4.44Å; G293-A297 PolarHBondContact O-N 3.47Å; A294-A297 PolarHBondContact O-N 3.29Å; A297-S299 PolarHBondContact O-N 3.36Å; A297-L300 PolarHBondContact O-N 2.82Å; A297-G301 PolarHBondContact O-N 3.46Å
298Y93.7Very high90.8Very high3 Ų346.8 Ų46.81%0.01224%0.24CC..Hα-helixtrans-67.1-35.7176.4-63.4-50.6000112.5K279 G282 D283 A294 G301 I302 L311 N314 R315 C318K279-Y298 HydrophobicContact CG-CE1 4.36Å; G282-Y298 PolarHBondContact O-OH 3.26Å; D283-Y298 WeakPolarHBondContact CA-OH 3.21Å; D283-Y298 PolarHBondContact N-OH 3.21Å; D283-Y298 VanDerWaalsContact N-OH 3.12Å; D283-Y298 PolarHBondContact OD1-OH 3.31Å; A294-Y298 HydrophobicContact CB-CD2 4.45Å; A294-Y298 HydrophobicContact CB-CE2 4.07Å; A294-Y298 WeakPolarHBondContact O-CD2 3.14Å; A294-Y298 PolarHBondContact O-N 2.69Å; Y298-G301 CarbonylContact O-C 3.56Å; Y298-G301 PolarHBondContact O-N 3.37Å; Y298-G301 VanDerWaalsContact O-N 3.16Å; Y298-I302 VanDerWaalsContact O-CG1 3.29Å; Y298-I302 WeakPolarHBondContact O-CG1 3.21Å; Y298-I302 PolarHBondContact O-N 2.96Å; Y298-L311 HydrophobicContact CD1-CD2 3.82Å; Y298-N314 HydrophobicContact CD1-CB 4.41Å; Y298-N314 HydrophobicContact CD2-CB 4.37Å; Y298-N314 HydrophobicContact CE1-CB 3.81Å; Y298-N314 HydrophobicContact CE2-CB 3.79Å; Y298-N314 VanDerWaalsContact CZ-CB 3.47Å; Y298-R315 HydrophobicContact CD2-CB 4.17Å; Y298-R315 HydrophobicContact CG-CB 4.36Å; Y298-C318 VanDerWaalsContact CE2-SG 3.58Å
299S92.8Very high90.7Very high27 Ų2741.8 Ų41.819%0.18921%0.214CC..Hα-helixtrans-67-37177.3-61.20000112.1V295 N296 A297 I302 R303 R315V295-S299 VanDerWaalsContact O-CB 3.23Å; V295-S299 WeakPolarHBondContact O-CB 3.45Å; V295-S299 PolarHBondContact O-N 3.24Å; V295-S299 PolarHBondContact O-OG 3.49Å; N296-S299 PolarHBondContact O-N 3.27Å; A297-S299 PolarHBondContact O-N 3.36Å; S299-I302 PolarHBondContact O-N 3.24Å; S299-R303 WeakPolarHBondContact O-CG 3.43Å; S299-R303 PolarHBondContact O-N 2.91Å; S299-R315 WeakPolarHBondContact OG-CD 3.31Å; S299-R315 PolarHBondContact OG-NH1 2.87Å
300L88.6Confident90.6Very high42 Ų4241.8 Ų41.822%0.2221%0.211CC..Hα-helixtrans-61.6-45.9167.9-75.6164000111.2L265 L278 N296 A297 I302 R303 L304L265-L300 HydrophobicContact CD2-CD2 4.24Å; L278-L300 HydrophobicContact CD1-CB 4.07Å; L278-L300 HydrophobicContact CD2-CB 4.3Å; N296-L300 WeakPolarHBondContact O-CG 3.4Å; N296-L300 PolarHBondContact O-N 3.13Å; A297-L300 PolarHBondContact O-N 2.82Å; L300-I302 VanDerWaalsContact C-N 3.3Å; L300-I302 PolarHBondContact O-N 3.33Å; L300-R303 WeakPolarHBondContact O-CB 3.45Å; L300-R303 PolarHBondContact O-N 3.22Å; L300-R303 VanDerWaalsContact O-N 3.14Å; L300-L304 PolarHBondContact O-N 2.89Å; L300-L304 VanDerWaalsContact O-N 3.09Å
301G88.3Confident90.5Very high0 Ų038 Ų380%019%0.191CC..Hα-helixtrans-59.6-40.4177.400000112.8A297 Y298 L304 N305 L311A297-G301 PolarHBondContact O-N 3.46Å; Y298-G301 CarbonylContact O-C 3.56Å; Y298-G301 PolarHBondContact O-N 3.37Å; Y298-G301 VanDerWaalsContact O-N 3.16Å; G301-L304 PolarHBondContact O-N 3.3Å; G301-N305 PolarHBondContact O-N 3Å; G301-L311 VanDerWaalsContact C-CD1 3.44Å
302I90.2Very high90.5Very high14 Ų1435.5 Ų35.57%0.07218%0.181CC..Hα-helixtrans-67.1-38.1177.3-72162.9000110.9Y298 S299 L300 L304 N305 R306 L311 Y312Y298-I302 VanDerWaalsContact O-CG1 3.29Å; Y298-I302 WeakPolarHBondContact O-CG1 3.21Å; Y298-I302 PolarHBondContact O-N 2.96Å; S299-I302 PolarHBondContact O-N 3.24Å; L300-I302 VanDerWaalsContact C-N 3.3Å; L300-I302 PolarHBondContact O-N 3.33Å; I302-L304 VanDerWaalsContact C-N 3.3Å; I302-L304 PolarHBondContact O-N 3.45Å; I302-N305 CarbonylContact O-C 3.36Å; I302-N305 VanDerWaalsContact O-C 3.22Å; I302-N305 PolarHBondContact O-N 2.85Å; I302-R306 WeakPolarHBondContact O-CG 3.49Å; I302-R306 PolarHBondContact O-N 3.38Å; I302-L311 HydrophobicContact CD1-CB 4.26Å; I302-L311 HydrophobicContact CG1-CB 3.73Å; I302-L311 HydrophobicContact CG1-CD1 4.22Å; I302-Y312 HydrophobicContact CD1-CD1 3.74Å; I302-Y312 HydrophobicContact CD1-CE1 3.84Å; I302-Y312 HydrophobicContact CD1-CG 4.14Å; I302-Y312 HydrophobicContact CG1-CD1 4.36Å; I302-Y312 HydrophobicContact CG1-CD2 4.48Å; I302-Y312 HydrophobicContact CG1-CE1 4.15Å; I302-Y312 HydrophobicContact CG1-CE2 4.28Å; I302-Y312 HydrophobicContact CG2-CE1 3.78Å; I302-Y312 HydrophobicContact CG2-CE2 4.41Å; I302-Y312 WeakPolarHBondContact CG2-OH 3.4Å
303R86.7Confident90.6Very high118 Ų11832 Ų3245%0.44516%0.16SC..Hα-helixtrans-62-38.2174.7-78.5-169.7-75.4-174.6-4.9112.1S259 L262 S299 L300S259-R303 PolarHBondContact OG-O 2.85Å; L262-R303 HydrophobicContact CD1-CB 4.25Å; L262-R303 WeakPolarHBondContact CD1-O 3.42Å; S299-R303 WeakPolarHBondContact O-CG 3.43Å; S299-R303 PolarHBondContact O-N 2.91Å; L300-R303 WeakPolarHBondContact O-CB 3.45Å; L300-R303 PolarHBondContact O-N 3.22Å; L300-R303 VanDerWaalsContact O-N 3.14Å
304L83.2Confident90.7Very high2 Ų232.6 Ų32.61%0.0116%0.159CC..Hα-helixtrans-74.2-40.2174.9-69.1174.5000112.8S259 L262 L265 R273 L278 L300 G301 I302S259-L304 PolarHBondContact N-O 3.09Å; S259-L304 PolarHBondContact OG-O 3.04Å; L262-L304 HydrophobicContact CD1-CD2 3.75Å; L262-L304 HydrophobicContact CD1-CG 4.4Å; L265-L304 HydrophobicContact CD2-CD2 3.87Å; L265-L304 HydrophobicContact CD2-CG 4.15Å; R273-L304 HydrophobicContact CG-CD2 4.2Å; L278-L304 HydrophobicContact CD1-CD1 3.43Å; L278-L304 VanDerWaalsContact CD1-CD1 3.43Å; L278-L304 HydrophobicContact CD1-CG 4.49Å; L300-L304 PolarHBondContact O-N 2.89Å; L300-L304 VanDerWaalsContact O-N 3.09Å; G301-L304 PolarHBondContact O-N 3.3Å; I302-L304 VanDerWaalsContact C-N 3.3Å; I302-L304 PolarHBondContact O-N 3.45Å
305N83.2Confident90.8Very high0 Ų034.7 Ų34.70%017%0.166CC..  trans-141.398.9-177.4-169.3-21.9000111.7A254 P275 G301 I302 K307A254-N305 PolarHBondContact O-ND2 3.28Å; A254-N305 PolarHBondContact O-OD1 2.82Å; P275-N305 HydrophobicContact CB-CB 4Å; P275-N305 HydrophobicContact CG-CB 4.29Å; G301-N305 PolarHBondContact O-N 3Å; I302-N305 CarbonylContact O-C 3.36Å; I302-N305 VanDerWaalsContact O-C 3.22Å; I302-N305 PolarHBondContact O-N 2.85Å; N305-K307 VanDerWaalsContact C-N 3.26Å; N305-K307 PolarHBondContact O-N 3.38Å; N305-K307 PolarHBondContact OD1-N 3.21Å
306R86.9Confident90.8Very high147 Ų14733.9 Ų33.956%0.55516%0.162SC*.THydrogen-bonded Turntrans-76.5-10.1179.6-60.6-176.5-172.3-157.18.5113.9E261 I302 Y312E261-R306 IonicContact OE2-NH2 2.99Å; I302-R306 WeakPolarHBondContact O-CG 3.49Å; I302-R306 PolarHBondContact O-N 3.38Å; R306-Y312 WeakPolarHBondContact O-CE2 3.41Å; R306-Y312 PolarHBondContact O-OH 2.66Å
307K86.6Confident90.9Very high92 Ų9229.9 Ų29.940%0.414%0.142SC..THydrogen-bonded Turntrans-95.7-1.2-174.3-66.9-178174.1179.40113.3E253 A254 A257 N305 P309E253-K307 IonicContact OE1-NZ 3.39Å; E253-K307 PolarHBondContact OE1-NZ 3.09Å; A254-K307 HydrophobicContact CB-CB 3.4Å; A254-K307 VanDerWaalsContact CB-CB 3.4Å; A254-K307 HydrophobicContact CB-CD 4.13Å; A254-K307 HydrophobicContact CB-CG 4.42Å; A257-K307 HydrophobicContact CB-CD 4.33Å; N305-K307 VanDerWaalsContact C-N 3.26Å; N305-K307 PolarHBondContact O-N 3.38Å; N305-K307 PolarHBondContact OD1-N 3.21Å; K307-P309 WeakPolarHBondContact O-CD 3.37Å
308L88.4Confident91.2Very high8 Ų829.5 Ų29.54%0.04214%0.139CC..  trans-92.3106-176.9-171.260.3000112.1A310 L311 Y312L308-A310 VanDerWaalsContact C-N 3.28Å; L308-A310 HydrophobicContact CG-CB 4.42Å; L308-A310 PolarHBondContact O-N 3.22Å; L308-L311 HydrophobicContact CB-CD1 4.08Å; L308-L311 HydrophobicContact CB-CG 4.33Å; L308-L311 HydrophobicContact CD2-CD1 3.88Å; L308-L311 HydrophobicContact CD2-CG 3.82Å; L308-L311 HydrophobicContact CG-CD1 4.34Å; L308-L311 HydrophobicContact CG-CG 4.17Å; L308-L311 PolarHBondContact O-N 2.98Å; L308-Y312 WeakPolarHBondContact O-CD2 3.46Å
309P90.9Very high91.3Very high17 Ų1729.9 Ų29.911%0.1114%0.141CC..Hα-helixtrans-65.3-27.2-175.922.6-33.5000114.1K307 L311 Y312 S313 L338 L339K307-P309 WeakPolarHBondContact O-CD 3.37Å; P309-L311 VanDerWaalsContact C-N 3.3Å; P309-L311 PolarHBondContact O-N 2.84Å; P309-Y312 PolarHBondContact O-N 2.85Å; P309-S313 WeakPolarHBondContact O-CB 3.22Å; P309-S313 PolarHBondContact O-N 3.42Å; P309-L338 HydrophobicContact CB-CB 3.91Å; P309-L338 HydrophobicContact CB-CD1 4.49Å; P309-L338 HydrophobicContact CG-CB 4.46Å; P309-L339 HydrophobicContact CB-CD1 4.48Å; P309-L339 HydrophobicContact CB-CD2 3.93Å; P309-L339 HydrophobicContact CB-CG 3.85Å; P309-L339 HydrophobicContact CG-CD2 3.8Å; P309-L339 HydrophobicContact CG-CG 4.24Å
310A91.5Very high91.5Very high37 Ų3729.8 Ų29.831%0.30614%0.138SC..Hα-helixtrans-61.7-37.1-179.300000112.5K279 L308 S313 N314K279-A310 HydrophobicContact CD-CB 4.34Å; L308-A310 VanDerWaalsContact C-N 3.28Å; L308-A310 HydrophobicContact CG-CB 4.42Å; L308-A310 PolarHBondContact O-N 3.22Å; A310-S313 PolarHBondContact O-N 2.95Å; A310-N314 WeakPolarHBondContact O-CB 3.37Å; A310-N314 PolarHBondContact O-N 3.12Å
311L93Very high91.8Very high0 Ų034 Ų340%015%0.154CC..Hα-helixtrans-66.2-47-179.6-66.4173.8000111.6K279 Y298 G301 I302 L308 P309 N314 R315K279-L311 HydrophobicContact CB-CD2 3.78Å; K279-L311 HydrophobicContact CG-CD2 4.03Å; Y298-L311 HydrophobicContact CD1-CD2 3.82Å; G301-L311 VanDerWaalsContact C-CD1 3.44Å; I302-L311 HydrophobicContact CD1-CB 4.26Å; I302-L311 HydrophobicContact CG1-CB 3.73Å; I302-L311 HydrophobicContact CG1-CD1 4.22Å; L308-L311 HydrophobicContact CB-CD1 4.08Å; L308-L311 HydrophobicContact CB-CG 4.33Å; L308-L311 HydrophobicContact CD2-CD1 3.88Å; L308-L311 HydrophobicContact CD2-CG 3.82Å; L308-L311 HydrophobicContact CG-CD1 4.34Å; L308-L311 HydrophobicContact CG-CG 4.17Å; L308-L311 PolarHBondContact O-N 2.98Å; P309-L311 VanDerWaalsContact C-N 3.3Å; P309-L311 PolarHBondContact O-N 2.84Å; L311-N314 PolarHBondContact O-N 2.92Å; L311-R315 VanDerWaalsContact O-CB 3.3Å; L311-R315 WeakPolarHBondContact O-CB 3.25Å; L311-R315 PolarHBondContact O-N 2.85Å
312Y95.3Very high92.1Very high17 Ų1736.7 Ų36.77%0.06717%0.169CC..Hα-helixtrans-62.1-44.7175.7-65.9-82.7000111.4I302 R306 L308 P309 N314 R315 A316 K334 L338I302-Y312 HydrophobicContact CD1-CD1 3.74Å; I302-Y312 HydrophobicContact CD1-CE1 3.84Å; I302-Y312 HydrophobicContact CD1-CG 4.14Å; I302-Y312 HydrophobicContact CG1-CD1 4.36Å; I302-Y312 HydrophobicContact CG1-CD2 4.48Å; I302-Y312 HydrophobicContact CG1-CE1 4.15Å; I302-Y312 HydrophobicContact CG1-CE2 4.28Å; I302-Y312 HydrophobicContact CG2-CE1 3.78Å; I302-Y312 HydrophobicContact CG2-CE2 4.41Å; I302-Y312 WeakPolarHBondContact CG2-OH 3.4Å; R306-Y312 WeakPolarHBondContact O-CE2 3.41Å; R306-Y312 PolarHBondContact O-OH 2.66Å; L308-Y312 WeakPolarHBondContact O-CD2 3.46Å; P309-Y312 PolarHBondContact O-N 2.85Å; Y312-N314 PolarHBondContact O-N 3.13Å; Y312-R315 PolarHBondContact O-N 3.14Å; Y312-A316 WeakPolarHBondContact O-CB 3.48Å; Y312-A316 PolarHBondContact O-N 3.25Å; Y312-K334 HydrophobicContact CD1-CB 4.11Å; Y312-K334 HydrophobicContact CD1-CG 4.11Å; Y312-K334 HydrophobicContact CE1-CB 4.41Å; Y312-K334 HydrophobicContact CE1-CG 3.91Å; Y312-K334 HydrophobicContact CG-CB 4.4Å; Y312-K334 HydrophobicContact CG-CG 4.49Å; Y312-L338 HydrophobicContact CD2-CD1 3.7Å; Y312-L338 HydrophobicContact CE2-CD1 3.57Å
313S95.3Very high92.3Very high8 Ų845.9 Ų45.96%0.05620%0.203CC..Hα-helixtrans-63.1-41180-158.40000112P309 A310 A316 A317 R356P309-S313 WeakPolarHBondContact O-CB 3.22Å; P309-S313 PolarHBondContact O-N 3.42Å; A310-S313 PolarHBondContact O-N 2.95Å; S313-A316 PolarHBondContact O-N 3.2Å; S313-A317 PolarHBondContact O-N 3.46Å; S313-R356 WeakPolarHBondContact O-CD 3.44Å; S313-R356 PolarHBondContact O-NH1 3.4Å; S313-R356 PolarHBondContact OG-NH1 3.49Å
314N94.9Very high92.7Very high33 Ų3343.6 Ų43.618%0.17620%0.199CC..Hα-helixtrans-73.6-35.6178.1-70.2-0.1000112.2D283 Y298 A310 L311 Y312 A317 C318 R356D283-N314 PolarHBondContact OD1-ND2 3.31Å; Y298-N314 HydrophobicContact CD1-CB 4.41Å; Y298-N314 HydrophobicContact CD2-CB 4.37Å; Y298-N314 HydrophobicContact CE1-CB 3.81Å; Y298-N314 HydrophobicContact CE2-CB 3.79Å; Y298-N314 VanDerWaalsContact CZ-CB 3.47Å; A310-N314 WeakPolarHBondContact O-CB 3.37Å; A310-N314 PolarHBondContact O-N 3.12Å; L311-N314 PolarHBondContact O-N 2.92Å; Y312-N314 PolarHBondContact O-N 3.13Å; N314-A317 WeakPolarHBondContact O-CB 3.43Å; N314-A317 PolarHBondContact O-N 2.82Å; N314-C318 PolarHBondContact O-N 2.86Å; N314-C318 VanDerWaalsContact O-N 3.16Å; N314-C318 PolarHBondContact O-SG 3.38Å; N314-R356 PolarHBondContact OD1-NH1 2.85Å
315R96.3Very high93.3Very high43 Ų4344.6 Ų44.616%0.16221%0.205CC..Hα-helixtrans-63.3-40.1171.6-166.4171.970.9175.7-0.2111.9V295 Y298 S299 L311 Y312 A317 C318 H319 D331V295-R315 HydrophobicContact CG1-CG 4.41Å; V295-R315 HydrophobicContact CG2-CG 4.4Å; Y298-R315 HydrophobicContact CD2-CB 4.17Å; Y298-R315 HydrophobicContact CG-CB 4.36Å; S299-R315 WeakPolarHBondContact OG-CD 3.31Å; S299-R315 PolarHBondContact OG-NH1 2.87Å; L311-R315 VanDerWaalsContact O-CB 3.3Å; L311-R315 WeakPolarHBondContact O-CB 3.25Å; L311-R315 PolarHBondContact O-N 2.85Å; Y312-R315 PolarHBondContact O-N 3.14Å; R315-A317 VanDerWaalsContact C-N 3.3Å; R315-A317 PolarHBondContact O-N 3.43Å; R315-C318 WeakPolarHBondContact O-CB 3.4Å; R315-C318 PolarHBondContact O-N 2.98Å; R315-C318 VanDerWaalsContact O-N 3.11Å; R315-H319 PolarHBondContact O-CD2 3.11Å; R315-H319 PolarHBondContact O-N 2.94Å; R315-D331 WeakPolarHBondContact CG-OD2 3.28Å; R315-D331 IonicContact CZ-OD1 3.14Å; R315-D331 IonicContact CZ-OD2 2.88Å; R315-D331 IonicContact NE-OD1 2.73Å; R315-D331 PolarHBondContact NE-OD1 3.41Å; R315-D331 IonicContact NE-OD2 2.74Å; R315-D331 PolarHBondContact NE-OD2 3.46Å; R315-D331 IonicContact NH2-OD1 2.76Å; R315-D331 PolarHBondContact NH2-OD1 2.93Å; R315-D331 IonicContact NH2-OD2 2.71Å
316A96.6Very high93.9Very high0 Ų051.5 Ų51.50%024%0.237CC..Hα-helixtrans-59-40.3172.700000112.3Y312 S313 C318 H319 L320 D331 S332Y312-A316 WeakPolarHBondContact O-CB 3.48Å; Y312-A316 PolarHBondContact O-N 3.25Å; S313-A316 PolarHBondContact O-N 3.2Å; A316-C318 VanDerWaalsContact C-N 3.32Å; A316-C318 PolarHBondContact O-N 2.94Å; A316-H319 PolarHBondContact O-N 2.84Å; A316-L320 WeakPolarHBondContact O-CG 3.46Å; A316-L320 PolarHBondContact O-N 3.38Å; A316-D331 HydrophobicContact CB-CB 3.78Å; A316-S332 WeakPolarHBondContact CB-OG 2.97Å
317A96.1Very high94.3Very high12 Ų1250 Ų5010%0.09923%0.234CC..Hα-helixtrans-62.4-39175.100000112.3F286 S313 N314 R315 L320 K321F286-A317 HydrophobicContact CE2-CB 4.28Å; F286-A317 HydrophobicContact CZ-CB 4.47Å; S313-A317 PolarHBondContact O-N 3.46Å; N314-A317 WeakPolarHBondContact O-CB 3.43Å; N314-A317 PolarHBondContact O-N 2.82Å; R315-A317 VanDerWaalsContact C-N 3.3Å; R315-A317 PolarHBondContact O-N 3.43Å; A317-L320 PolarHBondContact O-N 2.83Å; A317-K321 WeakPolarHBondContact O-CG 3.47Å; A317-K321 PolarHBondContact O-N 2.92Å
318C96.5Very high94.8Very high0 Ų045.7 Ų45.70%022%0.215CC..Hα-helixtrans-65.7-43.1173.9-55.30000111.3F286 V295 Y298 N314 R315 A316 L320 K321 L322F286-C318 VanDerWaalsContact CD2-SG 3.5Å; V295-C318 HydrophobicContact CG2-CB 3.48Å; V295-C318 VanDerWaalsContact CG2-CB 3.48Å; Y298-C318 VanDerWaalsContact CE2-SG 3.58Å; N314-C318 PolarHBondContact O-N 2.86Å; N314-C318 VanDerWaalsContact O-N 3.16Å; N314-C318 PolarHBondContact O-SG 3.38Å; R315-C318 WeakPolarHBondContact O-CB 3.4Å; R315-C318 PolarHBondContact O-N 2.98Å; R315-C318 VanDerWaalsContact O-N 3.11Å; A316-C318 VanDerWaalsContact C-N 3.32Å; A316-C318 PolarHBondContact O-N 2.94Å; C318-L320 VanDerWaalsContact C-N 3.33Å; C318-L320 PolarHBondContact O-N 3.49Å; C318-K321 PolarHBondContact O-N 3.39Å; C318-K321 VanDerWaalsContact O-N 3.14Å; C318-L322 WeakPolarHBondContact O-CG 3.35Å; C318-L322 PolarHBondContact O-N 2.81Å
319H96.9Very high95.2Very high11 Ų1146.3 Ų46.35%0.05122%0.219CC..Hα-helixtrans-62.6-37.6177.3-77.4-47.3000112.7R315 A316 L322 R323 N324 A328 D331R315-H319 PolarHBondContact O-CD2 3.11Å; R315-H319 PolarHBondContact O-N 2.94Å; A316-H319 PolarHBondContact O-N 2.84Å; H319-L322 CarbonylContact O-C 3.39Å; H319-L322 PolarHBondContact O-N 2.83Å; H319-R323 PolarHBondContact O-N 2.87Å; H319-N324 HydrophobicContact CB-CB 4.04Å; H319-N324 PolarHBondContact O-N 3.19Å; H319-A328 HydrophobicContact CB-CB 3.83Å; H319-D331 IonicContact CD2-OD2 2.72Å; H319-D331 PolarHBondContact CD2-OD2 2.72Å; H319-D331 IonicContact NE2-OD2 2.85Å
320L96.1Very high95.5Very high25 Ų2551.9 Ų51.913%0.13124%0.244CC..Hα-helixtrans-59.2-45.1171-77.2173.5000111.9A316 A317 C318 L322 R323 L325 A328 R356 A360A316-L320 WeakPolarHBondContact O-CG 3.46Å; A316-L320 PolarHBondContact O-N 3.38Å; A317-L320 PolarHBondContact O-N 2.83Å; C318-L320 VanDerWaalsContact C-N 3.33Å; C318-L320 PolarHBondContact O-N 3.49Å; L320-L322 VanDerWaalsContact C-N 3.31Å; L320-L322 PolarHBondContact O-N 3.36Å; L320-R323 PolarHBondContact O-N 3.18Å; L320-L325 HydrophobicContact CD2-CD2 4.35Å; L320-A328 HydrophobicContact CD2-CB 4.13Å; L320-A328 HydrophobicContact CG-CB 4.01Å; L320-R356 HydrophobicContact CD1-CB 3.96Å; L320-R356 HydrophobicContact CD1-CG 4.04Å; L320-A360 HydrophobicContact CD2-CB 3.68Å
321K95.6Very high95.7Very high129 Ų12950.3 Ų50.356%0.56123%0.23SC*.Hα-helixtrans-65.8-33.9177.5-66.4-63.7-177.9-177.30112.8F286 Y291 A317 C318 R323F286-K321 HydrophobicContact CE2-CG 4.18Å; F286-K321 HydrophobicContact CZ-CG 4.4Å; Y291-K321 HydrophobicContact CD1-CB 3.98Å; Y291-K321 HydrophobicContact CD1-CG 4.2Å; Y291-K321 HydrophobicContact CD2-CB 3.81Å; Y291-K321 HydrophobicContact CE1-CB 4.04Å; Y291-K321 HydrophobicContact CE1-CG 3.89Å; Y291-K321 HydrophobicContact CE2-CB 3.85Å; Y291-K321 HydrophobicContact CE2-CG 4.35Å; Y291-K321 HydrophobicContact CG-CB 3.87Å; A317-K321 WeakPolarHBondContact O-CG 3.47Å; A317-K321 PolarHBondContact O-N 2.92Å; C318-K321 PolarHBondContact O-N 3.39Å; C318-K321 VanDerWaalsContact O-N 3.14Å; K321-R323 VanDerWaalsContact C-N 3.3Å
322L94.7Very high95.8Very high58 Ų5850.3 Ų50.330%0.30423%0.23SC..THydrogen-bonded Turntrans-83.82.1175.9-67.4172.9000114Y291 V292 V295 C318 H319 L320 N324Y291-L322 HydrophobicContact CD2-CD2 4.48Å; V292-L322 HydrophobicContact CG2-CD1 4.09Å; V292-L322 HydrophobicContact CG2-CD2 3.91Å; V295-L322 HydrophobicContact CG2-CD1 4.02Å; C318-L322 WeakPolarHBondContact O-CG 3.35Å; C318-L322 PolarHBondContact O-N 2.81Å; H319-L322 CarbonylContact O-C 3.39Å; H319-L322 PolarHBondContact O-N 2.83Å; L320-L322 VanDerWaalsContact C-N 3.31Å; L320-L322 PolarHBondContact O-N 3.36Å; L322-N324 PolarHBondContact O-N 2.75Å
323R93.6Very high95.9Very high207 Ų20750.9 Ų50.978%0.78124%0.237SC*.THydrogen-bonded Turntrans5627.2-173.3-62-169.2172.7-143.3-0.2115.1H319 L320 K321 L325H319-R323 PolarHBondContact O-N 2.87Å; L320-R323 PolarHBondContact O-N 3.18Å; K321-R323 VanDerWaalsContact C-N 3.3Å; R323-L325 VanDerWaalsContact C-N 3.27Å; R323-L325 PolarHBondContact O-N 2.84Å; R323-L325 VanDerWaalsContact O-N 3.1Å
324N94.9Very high95.9Very high69 Ų6955.7 Ų55.737%0.36926%0.257SS..  trans-86.267172-75-51.8000110.3H319 L322 H326 K327 A328H319-N324 HydrophobicContact CB-CB 4.04Å; H319-N324 PolarHBondContact O-N 3.19Å; L322-N324 PolarHBondContact O-N 2.75Å; N324-H326 PolarHBondContact O-N 2.85Å; N324-K327 HydrophobicContact CB-CB 4.46Å; N324-K327 PolarHBondContact O-N 2.83Å; N324-A328 PolarHBondContact O-N 3.35Å
325L95.8Very high95.9Very high24 Ų2454.1 Ų54.113%0.12625%0.248CC..Hα-helixtrans-63.3-45.2-164.1-54.9177.8000113.7L320 R323 K327 A328 V329 Q363 L364L320-L325 HydrophobicContact CD2-CD2 4.35Å; R323-L325 VanDerWaalsContact C-N 3.27Å; R323-L325 PolarHBondContact O-N 2.84Å; R323-L325 VanDerWaalsContact O-N 3.1Å; L325-K327 VanDerWaalsContact C-N 3.34Å; L325-K327 PolarHBondContact O-N 2.87Å; L325-A328 WeakPolarHBondContact O-CB 3.41Å; L325-A328 PolarHBondContact O-N 3.46Å; L325-A328 VanDerWaalsContact O-N 3.12Å; L325-V329 WeakPolarHBondContact O-CG2 3.32Å; L325-V329 PolarHBondContact O-N 3.49Å; L325-Q363 HydrophobicContact CD1-CB 3.57Å; L325-Q363 WeakPolarHBondContact CD1-O 3.36Å; L325-Q363 HydrophobicContact CD2-CB 3.75Å; L325-Q363 HydrophobicContact CD2-CG 4.42Å; L325-Q363 HydrophobicContact CG-CB 4.31Å; L325-L364 HydrophobicContact CB-CD1 3.95Å; L325-L364 HydrophobicContact CB-CD2 3.77Å; L325-L364 HydrophobicContact CB-CG 3.67Å; L325-L364 HydrophobicContact CD1-CD2 3.7Å; L325-L364 HydrophobicContact CD1-CG 3.76Å; L325-L364 HydrophobicContact CG-CD2 4.36Å; L325-L364 HydrophobicContact CG-CG 4.36Å
326H95.6Very high95.7Very high145 Ų14553.2 Ų53.267%0.67125%0.247SC*.Hα-helixtrans-59.3-42.9177.9-67.6-71.3000112.7N324 A328 V329 E330N324-H326 PolarHBondContact O-N 2.85Å; H326-A328 VanDerWaalsContact C-N 3.32Å; H326-A328 PolarHBondContact O-N 3.34Å; H326-V329 PolarHBondContact O-N 2.97Å; H326-E330 PolarHBondContact O-N 2.82Å
327K95.8Very high95.6Very high116 Ų11658 Ų5850%0.50427%0.272SS..Hα-helixtrans-66.5-36.2176.7-66.4-175.2177.8178.80111.7N324 L325 V329 E330 D331N324-K327 HydrophobicContact CB-CB 4.46Å; N324-K327 PolarHBondContact O-N 2.83Å; L325-K327 VanDerWaalsContact C-N 3.34Å; L325-K327 PolarHBondContact O-N 2.87Å; K327-V329 VanDerWaalsContact C-N 3.34Å; K327-E330 PolarHBondContact O-N 3.31Å; K327-D331 WeakPolarHBondContact O-CB 3.06Å; K327-D331 PolarHBondContact O-N 3.36Å
328A96.7Very high95.3Very high0 Ų059.6 Ų59.60%028%0.279CS..Hα-helixtrans-63.4-39.7174.200000112.1H319 L320 N324 L325 H326 S332 A360H319-A328 HydrophobicContact CB-CB 3.83Å; L320-A328 HydrophobicContact CD2-CB 4.13Å; L320-A328 HydrophobicContact CG-CB 4.01Å; N324-A328 PolarHBondContact O-N 3.35Å; L325-A328 WeakPolarHBondContact O-CB 3.41Å; L325-A328 PolarHBondContact O-N 3.46Å; L325-A328 VanDerWaalsContact O-N 3.12Å; H326-A328 VanDerWaalsContact C-N 3.32Å; H326-A328 PolarHBondContact O-N 3.34Å; A328-S332 VanDerWaalsContact O-CB 3.25Å; A328-S332 WeakPolarHBondContact O-CB 3.32Å; A328-S332 PolarHBondContact O-N 3.38Å; A328-S332 PolarHBondContact O-OG 3.08Å; A328-A360 HydrophobicContact CB-CB 4.12Å
329V97.1Very high94.9Very high22 Ų2259.9 Ų59.913%0.13328%0.28CS..Hα-helixtrans-64.1-45.9175.1173.10000111.3L325 H326 K327 S332 S333 R357 A360 F361 L364L325-V329 WeakPolarHBondContact O-CG2 3.32Å; L325-V329 PolarHBondContact O-N 3.49Å; H326-V329 PolarHBondContact O-N 2.97Å; K327-V329 VanDerWaalsContact C-N 3.34Å; V329-S332 PolarHBondContact O-N 3.43Å; V329-S333 WeakPolarHBondContact O-CB 3.45Å; V329-S333 PolarHBondContact O-N 2.99Å; V329-S333 PolarHBondContact O-OG 2.86Å; V329-R357 HydrophobicContact CG1-CG 4.22Å; V329-A360 HydrophobicContact CG2-CB 3.59Å; V329-F361 HydrophobicContact CB-CE1 4.47Å; V329-F361 HydrophobicContact CG1-CE1 3.69Å; V329-F361 HydrophobicContact CG1-CE2 4.34Å; V329-F361 HydrophobicContact CG1-CZ 3.53Å; V329-F361 HydrophobicContact CG2-CD1 4.01Å; V329-F361 HydrophobicContact CG2-CE1 3.86Å; V329-F361 HydrophobicContact CG2-CG 4.5Å; V329-F361 HydrophobicContact CG2-CZ 4.26Å; V329-L364 HydrophobicContact CG2-CD1 4.29Å
330E96.4Very high94.4Very high134 Ų13462.9 Ų62.963%0.62630%0.3SS*.Hα-helixtrans-60.1-51.2178.4-172.6-176.3176.500111.3H326 K327 S332 S333 K334H326-E330 PolarHBondContact O-N 2.82Å; K327-E330 PolarHBondContact O-N 3.31Å; E330-S332 PolarHBondContact O-N 3.45Å; E330-S333 PolarHBondContact O-N 2.87Å; E330-K334 PolarHBondContact O-N 2.72Å
331D96.4Very high93.7Very high4 Ų463.9 Ų63.92%0.02131%0.308CS..Hα-helixtrans-63.9-41-179.9-83.4-17.3000112.7R315 A316 H319 K327 S333 K334 A335R315-D331 WeakPolarHBondContact CG-OD2 3.28Å; R315-D331 IonicContact CZ-OD1 3.14Å; R315-D331 IonicContact CZ-OD2 2.88Å; R315-D331 IonicContact NE-OD1 2.73Å; R315-D331 PolarHBondContact NE-OD1 3.41Å; R315-D331 IonicContact NE-OD2 2.74Å; R315-D331 PolarHBondContact NE-OD2 3.46Å; R315-D331 IonicContact NH2-OD1 2.76Å; R315-D331 PolarHBondContact NH2-OD1 2.93Å; R315-D331 IonicContact NH2-OD2 2.71Å; A316-D331 HydrophobicContact CB-CB 3.78Å; H319-D331 IonicContact CD2-OD2 2.72Å; H319-D331 PolarHBondContact CD2-OD2 2.72Å; H319-D331 IonicContact NE2-OD2 2.85Å; K327-D331 WeakPolarHBondContact O-CB 3.06Å; K327-D331 PolarHBondContact O-N 3.36Å; D331-S333 VanDerWaalsContact C-N 3.33Å; D331-K334 PolarHBondContact O-N 2.72Å; D331-A335 WeakPolarHBondContact O-CB 3.22Å; D331-A335 PolarHBondContact O-N 2.9Å
332S96.3Very high93.1Very high0 Ų060.4 Ų60.40%030%0.303CS..Hα-helixtrans-65.9-38.3177.3-57.40000111.8A316 A328 V329 E330 A335 L336A316-S332 WeakPolarHBondContact CB-OG 2.97Å; A328-S332 VanDerWaalsContact O-CB 3.25Å; A328-S332 WeakPolarHBondContact O-CB 3.32Å; A328-S332 PolarHBondContact O-N 3.38Å; A328-S332 PolarHBondContact O-OG 3.08Å; V329-S332 PolarHBondContact O-N 3.43Å; E330-S332 PolarHBondContact O-N 3.45Å; S332-A335 PolarHBondContact O-N 3.01Å; S332-L336 WeakPolarHBondContact O-CG 3.27Å; S332-L336 PolarHBondContact O-N 2.8Å
333S96.1Very high92.6Very high29 Ų2957.8 Ų57.820%0.20329%0.289CS..Hα-helixtrans-66-46.1176-58.20000111.1V329 E330 D331 A335 L336 D337 R357V329-S333 WeakPolarHBondContact O-CB 3.45Å; V329-S333 PolarHBondContact O-N 2.99Å; V329-S333 PolarHBondContact O-OG 2.86Å; E330-S333 PolarHBondContact O-N 2.87Å; D331-S333 VanDerWaalsContact C-N 3.33Å; S333-A335 VanDerWaalsContact C-N 3.27Å; S333-A335 PolarHBondContact O-N 2.85Å; S333-L336 PolarHBondContact O-N 2.8Å; S333-L336 VanDerWaalsContact O-N 3.1Å; S333-D337 VanDerWaalsContact O-CG 3.29Å; S333-D337 PolarHBondContact O-N 3.17Å; S333-R357 WeakPolarHBondContact OG-CD 3.26Å; S333-R357 PolarHBondContact OG-NH1 3.5Å; S333-R357 VanDerWaalsContact OG-NH1 3.13Å
334K95.3Very high92.1Very high108 Ų10851.4 Ų51.447%0.4728%0.276SS..Hα-helixtrans-58.4-39.8174.2-153.779.3176.8-176.60112.1Y312 E330 D331 D337 L338Y312-K334 HydrophobicContact CD1-CB 4.11Å; Y312-K334 HydrophobicContact CD1-CG 4.11Å; Y312-K334 HydrophobicContact CE1-CB 4.41Å; Y312-K334 HydrophobicContact CE1-CG 3.91Å; Y312-K334 HydrophobicContact CG-CB 4.4Å; Y312-K334 HydrophobicContact CG-CG 4.49Å; E330-K334 PolarHBondContact O-N 2.72Å; D331-K334 PolarHBondContact O-N 2.72Å; K334-D337 PolarHBondContact O-N 3.38Å; K334-L338 VanDerWaalsContact O-CG 3.3Å; K334-L338 WeakPolarHBondContact O-CG 3.33Å; K334-L338 PolarHBondContact O-N 2.79Å; K334-L338 VanDerWaalsContact O-N 3.13Å
335A94.6Very high91.5Very high0 Ų051.2 Ų51.20%029%0.285CS..Hα-helixtrans-63.6-43.1176.100000111.7D331 S332 S333 L338 L339 A353D331-A335 WeakPolarHBondContact O-CB 3.22Å; D331-A335 PolarHBondContact O-N 2.9Å; S332-A335 PolarHBondContact O-N 3.01Å; S333-A335 VanDerWaalsContact C-N 3.27Å; S333-A335 PolarHBondContact O-N 2.85Å; A335-L338 PolarHBondContact O-N 2.84Å; A335-L339 WeakPolarHBondContact O-CD1 3.35Å; A335-L339 WeakPolarHBondContact O-CG 3.38Å; A335-L339 PolarHBondContact O-N 2.86Å; A335-L339 VanDerWaalsContact O-N 3.11Å; A335-A353 HydrophobicContact CB-CB 4.25Å
336L93.4Very high91Very high25 Ų2550.2 Ų50.213%0.13128%0.279CS..Hα-helixtrans-64.5-41.5177-72.8168.8000112.1S332 S333 L338 L339 R350 A353 R357S332-L336 WeakPolarHBondContact O-CG 3.27Å; S332-L336 PolarHBondContact O-N 2.8Å; S333-L336 PolarHBondContact O-N 2.8Å; S333-L336 VanDerWaalsContact O-N 3.1Å; L336-L338 VanDerWaalsContact C-N 3.3Å; L336-L338 PolarHBondContact O-N 2.79Å; L336-L339 PolarHBondContact O-N 2.91Å; L336-L339 VanDerWaalsContact O-N 3.09Å; L336-R350 HydrophobicContact CD2-CB 4.35Å; L336-R350 HydrophobicContact CD2-CG 4.49Å; L336-A353 HydrophobicContact CD2-CB 3.75Å; L336-A353 HydrophobicContact CG-CB 3.8Å; L336-R357 VanDerWaalsContact CD1-CZ 3.49Å
337D93.1Very high90.7Very high101 Ų10144.3 Ų44.354%0.5426%0.255SS..Hα-helixtrans-59-43.2175.9-65-21.5000111.3S333 K334 L339 T340S333-D337 VanDerWaalsContact O-CG 3.29Å; S333-D337 PolarHBondContact O-N 3.17Å; K334-D337 PolarHBondContact O-N 3.38Å; D337-L339 VanDerWaalsContact C-N 3.28Å; D337-L339 PolarHBondContact O-N 3.08Å; D337-T340 PolarHBondContact O-N 2.85Å; D337-T340 PolarHBondContact O-OG1 3.33Å
338L89.7Confident90.5Very high44 Ų4440.7 Ų40.723%0.2325%0.247CC..Hα-helixtrans-71.2-20.8178-70.1174.9000113.5P309 Y312 K334 A335 L336 T340P309-L338 HydrophobicContact CB-CB 3.91Å; P309-L338 HydrophobicContact CB-CD1 4.49Å; P309-L338 HydrophobicContact CG-CB 4.46Å; Y312-L338 HydrophobicContact CD2-CD1 3.7Å; Y312-L338 HydrophobicContact CE2-CD1 3.57Å; K334-L338 VanDerWaalsContact O-CG 3.3Å; K334-L338 WeakPolarHBondContact O-CG 3.33Å; K334-L338 PolarHBondContact O-N 2.79Å; K334-L338 VanDerWaalsContact O-N 3.13Å; A335-L338 PolarHBondContact O-N 2.84Å; L336-L338 VanDerWaalsContact C-N 3.3Å; L336-L338 PolarHBondContact O-N 2.79Å; L338-T340 PolarHBondContact O-N 2.99Å
339L88.4Confident90.2Very high6 Ų641.9 Ų41.93%0.03126%0.257CS..THydrogen-bonded Turntrans-86.415.7177.5-69165.6000113P309 A335 L336 D337 P341 N346 A349 R350 A353P309-L339 HydrophobicContact CB-CD1 4.48Å; P309-L339 HydrophobicContact CB-CD2 3.93Å; P309-L339 HydrophobicContact CB-CG 3.85Å; P309-L339 HydrophobicContact CG-CD2 3.8Å; P309-L339 HydrophobicContact CG-CG 4.24Å; A335-L339 WeakPolarHBondContact O-CD1 3.35Å; A335-L339 WeakPolarHBondContact O-CG 3.38Å; A335-L339 PolarHBondContact O-N 2.86Å; A335-L339 VanDerWaalsContact O-N 3.11Å; L336-L339 PolarHBondContact O-N 2.91Å; L336-L339 VanDerWaalsContact O-N 3.09Å; D337-L339 VanDerWaalsContact C-N 3.28Å; D337-L339 PolarHBondContact O-N 3.08Å; L339-P341 CarbonylContact O-C 3.59Å; L339-N346 HydrophobicContact CD2-CB 4.08Å; L339-N346 PolarHBondContact O-ND2 3.33Å; L339-A349 HydrophobicContact CD1-CB 4.03Å; L339-A349 HydrophobicContact CD2-CB 3.92Å; L339-R350 HydrophobicContact CB-CG 3.7Å; L339-R350 HydrophobicContact CD1-CG 3.85Å; L339-R350 HydrophobicContact CG-CG 4.31Å; L339-A353 HydrophobicContact CD1-CB 4.48Å
340T86.1Confident90Very high75 Ų7543.4 Ų43.446%0.4626%0.261SS..  trans-92.4134.1170.260.90000110.7K250 D337 L338K250-T340 PolarHBondContact NZ-O 3.5Å; D337-T340 PolarHBondContact O-N 2.85Å; D337-T340 PolarHBondContact O-OG1 3.33Å; L338-T340 PolarHBondContact O-N 2.99Å
341P83Confident89.9Confident46 Ų4637.3 Ų37.330%0.29923%0.233SC..SBendcis-76.5162.95.931.5-35.9000115L339 V343 N346L339-P341 CarbonylContact O-C 3.59Å; P341-V343 HydrophobicContact CG-CG2 4.16Å; P341-V343 PolarHBondContact O-N 3.48Å; P341-V343 VanDerWaalsContact O-N 3.13Å; P341-N346 PolarHBondContact O-ND2 2.97Å
342A83.1Confident89.8Confident56 Ų5643.4 Ų43.446%0.46326%0.255SS..  trans-7693.1-177.800000112
343V83.8Confident89.8Confident2 Ų243.4 Ų43.41%0.01226%0.255CS..  trans-107156.4-174.5177.10000111.4E243 E244 W247 P341 A345 N346 A347 R350E243-V343 HydrophobicContact CB-CG2 4.43Å; E244-V343 HydrophobicContact CB-CG1 4.28Å; E244-V343 HydrophobicContact CG-CG1 3.28Å; W247-V343 HydrophobicContact CB-CG2 3.91Å; W247-V343 HydrophobicContact CG-CB 4.49Å; W247-V343 HydrophobicContact CG-CG2 4.17Å; P341-V343 HydrophobicContact CG-CG2 4.16Å; P341-V343 PolarHBondContact O-N 3.48Å; P341-V343 VanDerWaalsContact O-N 3.13Å; V343-A345 VanDerWaalsContact C-N 3.34Å; V343-A345 HydrophobicContact CG1-CB 4.19Å; V343-A345 PolarHBondContact O-N 2.91Å; V343-N346 PolarHBondContact N-OD1 2.61Å; V343-N346 VanDerWaalsContact N-OD1 3.1Å; V343-N346 PolarHBondContact O-N 3.42Å; V343-N346 PolarHBondContact O-OD1 3.27Å; V343-A347 PolarHBondContact O-N 2.96Å; V343-R350 PolarHBondContact O-NH2 3.44Å
344S82.4Confident89.8Confident73 Ų7342.4 Ų42.451%0.5125%0.248SC..THydrogen-bonded Turntrans-56.9-45.7175.667.50000111.7E244 N346 A347E244-S344 PolarHBondContact OE1-OG 3.41Å; S344-N346 VanDerWaalsContact C-N 3.27Å; S344-N346 PolarHBondContact O-N 3.09Å; S344-A347 WeakPolarHBondContact O-CB 3.35Å; S344-A347 PolarHBondContact O-N 3.38Å
345A82.1Confident89.8Confident66 Ų6638.8 Ų38.855%0.54524%0.235SC..THydrogen-bonded Turntrans-62.2-28.8179.800000114.1W247 V343W247-A345 HydrophobicContact CE3-CB 4.26Å; W247-A345 HydrophobicContact CH2-CB 4.09Å; W247-A345 HydrophobicContact CZ3-CB 3.69Å; V343-A345 VanDerWaalsContact C-N 3.34Å; V343-A345 HydrophobicContact CG1-CB 4.19Å; V343-A345 PolarHBondContact O-N 2.91Å
346N86.6Confident89.9Confident2 Ų241.2 Ų41.21%0.01125%0.245CC..THydrogen-bonded Turntrans-99.70.9-178.879.118000113.6W247 L339 P341 V343 S344 A348 A349 R350W247-N346 HydrophobicContact CH2-CB 4.42Å; W247-N346 HydrophobicContact CZ2-CB 3.67Å; W247-N346 PolarHBondContact NE1-ND2 2.77Å; L339-N346 HydrophobicContact CD2-CB 4.08Å; L339-N346 PolarHBondContact O-ND2 3.33Å; P341-N346 PolarHBondContact O-ND2 2.97Å; V343-N346 PolarHBondContact N-OD1 2.61Å; V343-N346 VanDerWaalsContact N-OD1 3.1Å; V343-N346 PolarHBondContact O-N 3.42Å; V343-N346 PolarHBondContact O-OD1 3.27Å; S344-N346 VanDerWaalsContact C-N 3.27Å; S344-N346 PolarHBondContact O-N 3.09Å; N346-A348 PolarHBondContact O-N 3.06Å; N346-A349 PolarHBondContact O-N 3.13Å; N346-A349 VanDerWaalsContact O-N 3.09Å; N346-R350 PolarHBondContact O-N 3.23Å; N346-R350 PolarHBondContact OD1-NE 2.88Å
347A88.9Confident90.1Very high21 Ų2142.7 Ų42.717%0.17425%0.248CC..Hα-helixtrans-51.6-52.6179.900000112.3V343 S344 A349 R350 V351 I380V343-A347 PolarHBondContact O-N 2.96Å; S344-A347 WeakPolarHBondContact O-CB 3.35Å; S344-A347 PolarHBondContact O-N 3.38Å; A347-A349 VanDerWaalsContact C-N 3.3Å; A347-A349 PolarHBondContact O-N 3.07Å; A347-R350 PolarHBondContact O-N 3.47Å; A347-R350 VanDerWaalsContact O-N 3.15Å; A347-V351 WeakPolarHBondContact O-CG2 3.43Å; A347-V351 PolarHBondContact O-N 2.99Å; A347-I380 HydrophobicContact CB-CG2 3.62Å
348A90.9Very high90.2Very high40 Ų4037.9 Ų37.933%0.33122%0.222SC..Hα-helixtrans-62.7-34.7179.500000112.9N346 R352N346-A348 PolarHBondContact O-N 3.06Å; A348-R352 WeakPolarHBondContact O-CG 3.26Å; A348-R352 PolarHBondContact O-N 2.9Å; A348-R352 VanDerWaalsContact O-N 3.09Å
349A91Very high90.5Very high26 Ų2637.3 Ų37.322%0.21522%0.222CC..Hα-helixtrans-70.7-38.1176.800000111.7L339 N346 A347 R352 A353L339-A349 HydrophobicContact CD1-CB 4.03Å; L339-A349 HydrophobicContact CD2-CB 3.92Å; N346-A349 PolarHBondContact O-N 3.13Å; N346-A349 VanDerWaalsContact O-N 3.09Å; A347-A349 VanDerWaalsContact C-N 3.3Å; A347-A349 PolarHBondContact O-N 3.07Å; A349-R352 PolarHBondContact O-N 3.46Å; A349-A353 WeakPolarHBondContact O-CB 3.36Å; A349-A353 PolarHBondContact O-N 3.36Å
350R92.9Very high90.9Very high53 Ų5337 Ų3720%0.222%0.221CC..Hα-helixtrans-65.1-45.9174.7-71.4-170.8-67.8144.7-2.8111.3L336 L339 V343 N346 A347 R352 A353 S354 I380L336-R350 HydrophobicContact CD2-CB 4.35Å; L336-R350 HydrophobicContact CD2-CG 4.49Å; L339-R350 HydrophobicContact CB-CG 3.7Å; L339-R350 HydrophobicContact CD1-CG 3.85Å; L339-R350 HydrophobicContact CG-CG 4.31Å; V343-R350 PolarHBondContact O-NH2 3.44Å; N346-R350 PolarHBondContact O-N 3.23Å; N346-R350 PolarHBondContact OD1-NE 2.88Å; A347-R350 PolarHBondContact O-N 3.47Å; A347-R350 VanDerWaalsContact O-N 3.15Å; R350-R352 PolarHBondContact O-N 2.74Å; R350-A353 PolarHBondContact O-N 3.4Å; R350-S354 WeakPolarHBondContact O-CB 3.21Å; R350-S354 PolarHBondContact O-N 2.71Å; R350-S354 PolarHBondContact O-OG 2.67Å; R350-I380 HydrophobicContact CB-CD1 3.99Å
351V94.6Very high91.4Very high7 Ų735.1 Ų35.14%0.04221%0.206CC..Hα-helixtrans-54.2-51.3173.81700000110.7A347 A353 S354 V355 A377 I380 E381 L387A347-V351 WeakPolarHBondContact O-CG2 3.43Å; A347-V351 PolarHBondContact O-N 2.99Å; V351-A353 PolarHBondContact O-N 2.88Å; V351-S354 PolarHBondContact O-N 3.13Å; V351-V355 HydrophobicContact CG1-CG2 4.33Å; V351-V355 WeakPolarHBondContact O-CB 3.42Å; V351-V355 VanDerWaalsContact O-CG2 3.3Å; V351-V355 WeakPolarHBondContact O-CG2 3.48Å; V351-V355 PolarHBondContact O-N 2.96Å; V351-A377 HydrophobicContact CG1-CB 4.27Å; V351-I380 HydrophobicContact CG2-CB 3.59Å; V351-I380 HydrophobicContact CG2-CD1 3.98Å; V351-I380 HydrophobicContact CG2-CG1 4.37Å; V351-I380 HydrophobicContact CG2-CG2 3.58Å; V351-E381 HydrophobicContact CG2-CB 4.49Å; V351-E381 HydrophobicContact CG2-CG 4.05Å; V351-L387 HydrophobicContact CG1-CD2 4.16Å
352R94.3Very high91.9Very high132 Ų13234 Ų3450%0.49820%0.199SC..Hα-helixtrans-59.3-42.9178.4-74.3-171-62.9-109.72.1113.1A348 A349 R350 R356A348-R352 WeakPolarHBondContact O-CG 3.26Å; A348-R352 PolarHBondContact O-N 2.9Å; A348-R352 VanDerWaalsContact O-N 3.09Å; A349-R352 PolarHBondContact O-N 3.46Å; R350-R352 PolarHBondContact O-N 2.74Å; R352-R356 WeakPolarHBondContact O-CB 3.46Å; R352-R356 WeakPolarHBondContact O-CD 3.36Å; R352-R356 WeakPolarHBondContact O-CG 3.45Å; R352-R356 PolarHBondContact O-N 3.08Å
353A95.3Very high92.5Very high0 Ų035.3 Ų35.30%020%0.196CC..Hα-helixtrans-67.9-42179.300000111.9A335 L336 L339 A349 R350 V351 R356 R357A335-A353 HydrophobicContact CB-CB 4.25Å; L336-A353 HydrophobicContact CD2-CB 3.75Å; L336-A353 HydrophobicContact CG-CB 3.8Å; L339-A353 HydrophobicContact CD1-CB 4.48Å; A349-A353 WeakPolarHBondContact O-CB 3.36Å; A349-A353 PolarHBondContact O-N 3.36Å; R350-A353 PolarHBondContact O-N 3.4Å; V351-A353 PolarHBondContact O-N 2.88Å; A353-R356 PolarHBondContact O-N 2.98Å; A353-R357 PolarHBondContact O-N 2.83Å
354S95.8Very high93Very high8 Ų837.4 Ų37.46%0.05621%0.206CC..Hα-helixtrans-62.2-47.1174.3-68.10000112R350 V351 R356 R357 G358R350-S354 WeakPolarHBondContact O-CB 3.21Å; R350-S354 PolarHBondContact O-N 2.71Å; R350-S354 PolarHBondContact O-OG 2.67Å; V351-S354 PolarHBondContact O-N 3.13Å; S354-R356 VanDerWaalsContact C-N 3.34Å; S354-R356 PolarHBondContact O-N 2.7Å; S354-R357 PolarHBondContact O-N 3.35Å; S354-G358 PolarHBondContact O-N 2.87Å
355V96.1Very high93.5Very high32 Ų3241.1 Ų41.119%0.19422%0.216CC..Hα-helixtrans-62-41.3177.4171.90000111.4V351 G358 S359 Y374 A377 L387V351-V355 HydrophobicContact CG1-CG2 4.33Å; V351-V355 WeakPolarHBondContact O-CB 3.42Å; V351-V355 VanDerWaalsContact O-CG2 3.3Å; V351-V355 WeakPolarHBondContact O-CG2 3.48Å; V351-V355 PolarHBondContact O-N 2.96Å; V355-G358 PolarHBondContact O-N 2.8Å; V355-S359 VanDerWaalsContact O-CB 3.25Å; V355-S359 WeakPolarHBondContact O-CB 3.45Å; V355-S359 PolarHBondContact O-N 2.86Å; V355-Y374 HydrophobicContact CG1-CE1 4.29Å; V355-A377 HydrophobicContact CG2-CB 3.96Å; V355-L387 HydrophobicContact CG2-CD1 4.28Å; V355-L387 HydrophobicContact CG2-CD2 3.74Å; V355-L387 HydrophobicContact CG2-CG 4.02Å
356R96.1Very high94.1Very high51 Ų5141.4 Ų41.419%0.19221%0.208CC..Hα-helixtrans-62.8-43.3176.6-74.3166.2-178.2173.3-8111.7S313 N314 L320 R352 A353 S354 A360S313-R356 WeakPolarHBondContact O-CD 3.44Å; S313-R356 PolarHBondContact O-NH1 3.4Å; S313-R356 PolarHBondContact OG-NH1 3.49Å; N314-R356 PolarHBondContact OD1-NH1 2.85Å; L320-R356 HydrophobicContact CD1-CB 3.96Å; L320-R356 HydrophobicContact CD1-CG 4.04Å; R352-R356 WeakPolarHBondContact O-CB 3.46Å; R352-R356 WeakPolarHBondContact O-CD 3.36Å; R352-R356 WeakPolarHBondContact O-CG 3.45Å; R352-R356 PolarHBondContact O-N 3.08Å; A353-R356 PolarHBondContact O-N 2.98Å; S354-R356 VanDerWaalsContact C-N 3.34Å; S354-R356 PolarHBondContact O-N 2.7Å; R356-A360 PolarHBondContact O-N 3.23Å; R356-A360 VanDerWaalsContact O-N 3.07Å
357R97.1Very high94.4Very high55 Ų5544.5 Ų44.521%0.20822%0.22CC..Hα-helixtrans-65.7-47.3176.1-164168.664.1179.51.1111.9V329 S333 L336 A353 S354 S359 A360 F361 D373V329-R357 HydrophobicContact CG1-CG 4.22Å; S333-R357 WeakPolarHBondContact OG-CD 3.26Å; S333-R357 PolarHBondContact OG-NH1 3.5Å; S333-R357 VanDerWaalsContact OG-NH1 3.13Å; L336-R357 VanDerWaalsContact CD1-CZ 3.49Å; A353-R357 PolarHBondContact O-N 2.83Å; S354-R357 PolarHBondContact O-N 3.35Å; R357-S359 VanDerWaalsContact C-N 3.34Å; R357-S359 PolarHBondContact O-N 2.78Å; R357-A360 WeakPolarHBondContact O-CB 3.31Å; R357-A360 PolarHBondContact O-N 3.48Å; R357-A360 VanDerWaalsContact O-N 3.12Å; R357-F361 HydrophobicContact CG-CD2 3.96Å; R357-F361 HydrophobicContact CG-CE2 3.54Å; R357-F361 HydrophobicContact CG-CZ 4.22Å; R357-F361 WeakPolarHBondContact O-CD2 3.5Å; R357-F361 PolarHBondContact O-N 2.96Å; R357-D373 WeakPolarHBondContact CB-OD2 3.2Å; R357-D373 VanDerWaalsContact CG-OD2 3.29Å; R357-D373 WeakPolarHBondContact CG-OD2 3.43Å; R357-D373 IonicContact CZ-OD1 2.66Å; R357-D373 IonicContact CZ-OD2 2.67Å; R357-D373 IonicContact NE-OD1 3.19Å; R357-D373 PolarHBondContact NE-OD1 3.31Å; R357-D373 IonicContact NE-OD2 3Å; R357-D373 PolarHBondContact NE-OD2 2.87Å; R357-D373 IonicContact NH2-OD1 3.54Å; R357-D373 PolarHBondContact NH2-OD1 2.73Å; R357-D373 IonicContact NH2-OD2 3.92Å
358G96Very high94.6Very high0 Ų046.6 Ų46.60%024%0.237CC..Hα-helixtrans-61.1-41.317800000112.5S354 V355 A360 F361 C362S354-G358 PolarHBondContact O-N 2.87Å; V355-G358 PolarHBondContact O-N 2.8Å; G358-A360 PolarHBondContact O-N 3.27Å; G358-F361 PolarHBondContact O-N 3.02Å; G358-C362 PolarHBondContact O-N 2.91Å; G358-C362 PolarHBondContact O-SG 3.31Å
359S95.8Very high94.8Very high32 Ų3248.6 Ų48.622%0.22424%0.239CC..Hα-helixtrans-63.5-39.6174-174.30000112.2V355 R357 C362 Q363V355-S359 VanDerWaalsContact O-CB 3.25Å; V355-S359 WeakPolarHBondContact O-CB 3.45Å; V355-S359 PolarHBondContact O-N 2.86Å; R357-S359 VanDerWaalsContact C-N 3.34Å; R357-S359 PolarHBondContact O-N 2.78Å; S359-C362 PolarHBondContact O-N 2.81Å; S359-Q363 WeakPolarHBondContact O-CG 3.38Å; S359-Q363 PolarHBondContact O-N 3.21Å
360A96.8Very high95Very high0 Ų047.3 Ų47.30%023%0.229CC..Hα-helixtrans-63.9-42.6174.700000111.6L320 A328 V329 R356 R357 G358 Q363 L364L320-A360 HydrophobicContact CD2-CB 3.68Å; A328-A360 HydrophobicContact CB-CB 4.12Å; V329-A360 HydrophobicContact CG2-CB 3.59Å; R356-A360 PolarHBondContact O-N 3.23Å; R356-A360 VanDerWaalsContact O-N 3.07Å; R357-A360 WeakPolarHBondContact O-CB 3.31Å; R357-A360 PolarHBondContact O-N 3.48Å; R357-A360 VanDerWaalsContact O-N 3.12Å; G358-A360 PolarHBondContact O-N 3.27Å; A360-Q363 PolarHBondContact O-N 2.8Å; A360-L364 WeakPolarHBondContact O-CG 3.37Å; A360-L364 PolarHBondContact O-N 3.34Å
361F96.7Very high95.1Very high35 Ų3546 Ų4615%0.15423%0.226CC..Hα-helixtrans-63.5-43.2175.5-75.5-47.7000112.7V329 R357 G358 Q363 L364 E365 L366 E369V329-F361 HydrophobicContact CB-CE1 4.47Å; V329-F361 HydrophobicContact CG1-CE1 3.69Å; V329-F361 HydrophobicContact CG1-CE2 4.34Å; V329-F361 HydrophobicContact CG1-CZ 3.53Å; V329-F361 HydrophobicContact CG2-CD1 4.01Å; V329-F361 HydrophobicContact CG2-CE1 3.86Å; V329-F361 HydrophobicContact CG2-CG 4.5Å; V329-F361 HydrophobicContact CG2-CZ 4.26Å; R357-F361 HydrophobicContact CG-CD2 3.96Å; R357-F361 HydrophobicContact CG-CE2 3.54Å; R357-F361 HydrophobicContact CG-CZ 4.22Å; R357-F361 WeakPolarHBondContact O-CD2 3.5Å; R357-F361 PolarHBondContact O-N 2.96Å; G358-F361 PolarHBondContact O-N 3.02Å; F361-Q363 VanDerWaalsContact C-N 3.28Å; F361-Q363 PolarHBondContact O-N 2.78Å; F361-L364 CarbonylContact O-C 3.58Å; F361-L364 WeakPolarHBondContact O-CA 3.33Å; F361-L364 WeakPolarHBondContact O-CB 3.45Å; F361-L364 PolarHBondContact O-N 2.89Å; F361-E365 PolarHBondContact O-N 3.33Å; F361-E365 VanDerWaalsContact O-N 3.16Å; F361-L366 HydrophobicContact CB-CB 4.2Å; F361-L366 HydrophobicContact CD1-CB 4.18Å; F361-L366 HydrophobicContact CD1-CD1 3.96Å; F361-L366 HydrophobicContact CE1-CD1 4.36Å; F361-L366 PolarHBondContact O-N 2.89Å; F361-E369 HydrophobicContact CD1-CB 4.38Å; F361-E369 HydrophobicContact CD2-CB 3.98Å; F361-E369 HydrophobicContact CE2-CB 4.2Å; F361-E369 HydrophobicContact CG-CB 4.08Å
362C94.3Very high95.1Very high22 Ų2252.2 Ų52.215%0.14926%0.255CS..Hα-helixtrans-62.8-35.9176.1-64.50000112.2G358 S359 L364 E365 Y367 I394G358-C362 PolarHBondContact O-N 2.91Å; G358-C362 PolarHBondContact O-SG 3.31Å; S359-C362 PolarHBondContact O-N 2.81Å; C362-L364 VanDerWaalsContact C-N 3.27Å; C362-L364 PolarHBondContact O-N 2.92Å; C362-E365 PolarHBondContact O-N 3.46Å; C362-Y367 HydrophobicContact CB-CD1 4.2Å; C362-Y367 HydrophobicContact CB-CE1 4.24Å; C362-Y367 WeakPolarHBondContact O-CE1 3.49Å; C362-I394 WeakPolarHBondContact SG-CD1 3.35Å
363Q94.5Very high95.2Very high84 Ų8446.3 Ų46.339%0.39323%0.233SC..Hα-helixtrans-72.5-20.1173.7-71.7-179.35400113.3L325 S359 A360 F361 E365L325-Q363 HydrophobicContact CD1-CB 3.57Å; L325-Q363 WeakPolarHBondContact CD1-O 3.36Å; L325-Q363 HydrophobicContact CD2-CB 3.75Å; L325-Q363 HydrophobicContact CD2-CG 4.42Å; L325-Q363 HydrophobicContact CG-CB 4.31Å; S359-Q363 WeakPolarHBondContact O-CG 3.38Å; S359-Q363 PolarHBondContact O-N 3.21Å; A360-Q363 PolarHBondContact O-N 2.8Å; F361-Q363 VanDerWaalsContact C-N 3.28Å; F361-Q363 PolarHBondContact O-N 2.78Å; Q363-E365 VanDerWaalsContact C-N 3.3Å
364L94.3Very high95.2Very high46 Ų4647 Ų4724%0.24124%0.235CC..THydrogen-bonded Turntrans-88.96.3170.6-73.3170.1000112.7L325 V329 A360 F361 C362 L366L325-L364 HydrophobicContact CB-CD1 3.95Å; L325-L364 HydrophobicContact CB-CD2 3.77Å; L325-L364 HydrophobicContact CB-CG 3.67Å; L325-L364 HydrophobicContact CD1-CD2 3.7Å; L325-L364 HydrophobicContact CD1-CG 3.76Å; L325-L364 HydrophobicContact CG-CD2 4.36Å; L325-L364 HydrophobicContact CG-CG 4.36Å; V329-L364 HydrophobicContact CG2-CD1 4.29Å; A360-L364 WeakPolarHBondContact O-CG 3.37Å; A360-L364 PolarHBondContact O-N 3.34Å; F361-L364 CarbonylContact O-C 3.58Å; F361-L364 WeakPolarHBondContact O-CA 3.33Å; F361-L364 WeakPolarHBondContact O-CB 3.45Å; F361-L364 PolarHBondContact O-N 2.89Å; C362-L364 VanDerWaalsContact C-N 3.27Å; C362-L364 PolarHBondContact O-N 2.92Å; L364-L366 HydrophobicContact CB-CD1 4.28Å; L364-L366 HydrophobicContact CB-CG 4.29Å; L364-L366 PolarHBondContact O-N 3.36Å
365E93.3Very high95.2Very high151 Ų15150 Ų5071%0.70625%0.249SC*.THydrogen-bonded Turntrans63.213.7-175.5-53.6179.4171.900114.4F361 C362 Q363 Y367F361-E365 PolarHBondContact O-N 3.33Å; F361-E365 VanDerWaalsContact O-N 3.16Å; C362-E365 PolarHBondContact O-N 3.46Å; Q363-E365 VanDerWaalsContact C-N 3.3Å; E365-Y367 VanDerWaalsContact C-N 3.28Å; E365-Y367 HydrophobicContact CB-CE2 3.98Å; E365-Y367 HydrophobicContact CG-CE2 4.44Å; E365-Y367 VanDerWaalsContact O-CD2 3.3Å; E365-Y367 WeakPolarHBondContact O-CD2 3.33Å; E365-Y367 PolarHBondContact O-N 3.03Å; E365-Y367 VanDerWaalsContact O-N 3.13Å
366L94Very high95Very high73 Ų7350.2 Ų50.238%0.38225%0.254SS..  trans-87.965.8173.5-64.5175.6000109.7F361 L364 A368 E369 G370F361-L366 HydrophobicContact CB-CB 4.2Å; F361-L366 HydrophobicContact CD1-CB 4.18Å; F361-L366 HydrophobicContact CD1-CD1 3.96Å; F361-L366 HydrophobicContact CE1-CD1 4.36Å; F361-L366 PolarHBondContact O-N 2.89Å; L364-L366 HydrophobicContact CB-CD1 4.28Å; L364-L366 HydrophobicContact CB-CG 4.29Å; L364-L366 PolarHBondContact O-N 3.36Å; L366-A368 VanDerWaalsContact C-N 3.35Å; L366-A368 PolarHBondContact O-N 3.29Å; L366-E369 WeakPolarHBondContact CB-OE2 3.49Å; L366-G370 PolarHBondContact O-N 2.87Å
367Y93.9Very high94.9Very high67 Ų6747.8 Ų47.826%0.26324%0.244SC..Hα-helixtrans-67.9-30.3-171.3-62.4-70000113.7C362 E365 G370 L371 I394 I397C362-Y367 HydrophobicContact CB-CD1 4.2Å; C362-Y367 HydrophobicContact CB-CE1 4.24Å; C362-Y367 WeakPolarHBondContact O-CE1 3.49Å; E365-Y367 VanDerWaalsContact C-N 3.28Å; E365-Y367 HydrophobicContact CB-CE2 3.98Å; E365-Y367 HydrophobicContact CG-CE2 4.44Å; E365-Y367 VanDerWaalsContact O-CD2 3.3Å; E365-Y367 WeakPolarHBondContact O-CD2 3.33Å; E365-Y367 PolarHBondContact O-N 3.03Å; E365-Y367 VanDerWaalsContact O-N 3.13Å; Y367-G370 PolarHBondContact O-N 3.3Å; Y367-L371 WeakPolarHBondContact O-CB 3.47Å; Y367-L371 PolarHBondContact O-N 2.8Å; Y367-I394 HydrophobicContact CD1-CG2 4.43Å; Y367-I394 WeakPolarHBondContact O-CG2 3.23Å; Y367-I397 HydrophobicContact CD1-CG2 4.13Å; Y367-I397 HydrophobicContact CD2-CG2 3.88Å; Y367-I397 HydrophobicContact CE1-CD1 4.2Å; Y367-I397 HydrophobicContact CE1-CG2 4.02Å; Y367-I397 HydrophobicContact CE2-CG2 3.75Å; Y367-I397 HydrophobicContact CG-CG2 4.06Å
368A93.8Very high94.8Very high64 Ų6446.5 Ų46.553%0.52924%0.241SC..Hα-helixtrans-67.8-46.7-179.300000111.5L366 G370 L371 Q372L366-A368 VanDerWaalsContact C-N 3.35Å; L366-A368 PolarHBondContact O-N 3.29Å; A368-G370 VanDerWaalsContact C-N 3.34Å; A368-L371 PolarHBondContact O-N 2.9Å; A368-Q372 PolarHBondContact O-N 2.82Å; A368-Q372 VanDerWaalsContact O-N 3.14Å
369E94.7Very high94.7Very high82 Ų8254.7 Ų54.738%0.38328%0.277SS..Hα-helixtrans-65.3-40.6174.6-62.883.5170.500110.8F361 L366 Q372 D373F361-E369 HydrophobicContact CD1-CB 4.38Å; F361-E369 HydrophobicContact CD2-CB 3.98Å; F361-E369 HydrophobicContact CE2-CB 4.2Å; F361-E369 HydrophobicContact CG-CB 4.08Å; L366-E369 WeakPolarHBondContact CB-OE2 3.49Å; E369-Q372 WeakPolarHBondContact O-CB 3.08Å; E369-Q372 PolarHBondContact O-N 2.81Å; E369-D373 PolarHBondContact O-N 3.27Å
370G94.6Very high94.4Very high0 Ų055.5 Ų55.50%028%0.279CS..Hα-helixtrans-56.9-49.3172.800000112.4L366 Y367 A368 Q372 D373 Y374L366-G370 PolarHBondContact O-N 2.87Å; Y367-G370 PolarHBondContact O-N 3.3Å; A368-G370 VanDerWaalsContact C-N 3.34Å; G370-Q372 VanDerWaalsContact C-N 3.31Å; G370-Q372 PolarHBondContact O-N 3.47Å; G370-D373 PolarHBondContact O-N 2.92Å; G370-Y374 WeakPolarHBondContact O-CD2 3.45Å; G370-Y374 PolarHBondContact O-N 2.77Å
371L95.1Very high94.2Very high25 Ų2558.7 Ų58.713%0.13129%0.294CS..Hα-helixtrans-59.8-41.2178.9-175.763.2000111.8Y367 A368 D373 Y374 E375 A391 I394 R395 I398Y367-L371 WeakPolarHBondContact O-CB 3.47Å; Y367-L371 PolarHBondContact O-N 2.8Å; A368-L371 PolarHBondContact O-N 2.9Å; L371-D373 VanDerWaalsContact C-N 3.29Å; L371-D373 PolarHBondContact O-N 3.45Å; L371-Y374 PolarHBondContact O-N 2.85Å; L371-E375 HydrophobicContact CD1-CG 4.36Å; L371-E375 HydrophobicContact CG-CG 4.36Å; L371-E375 WeakPolarHBondContact O-CB 3.41Å; L371-E375 WeakPolarHBondContact O-CG 3.24Å; L371-E375 PolarHBondContact O-N 2.99Å; L371-A391 HydrophobicContact CD1-CB 4.34Å; L371-I394 HydrophobicContact CB-CG2 3.88Å; L371-I394 HydrophobicContact CD1-CB 4.4Å; L371-I394 HydrophobicContact CD1-CG2 4.27Å; L371-R395 HydrophobicContact CD1-CG 3.8Å; L371-R395 HydrophobicContact CD2-CG 3.83Å; L371-I398 HydrophobicContact CB-CD1 4.28Å; L371-I398 HydrophobicContact CD2-CD1 3.97Å
372Q95.8Very high93.9Very high138 Ų13860.4 Ų60.465%0.64531%0.308SS*.Hα-helixtrans-58.9-40.8177.6-171.91808.700112.1A368 E369 G370 E375 A376A368-Q372 PolarHBondContact O-N 2.82Å; A368-Q372 VanDerWaalsContact O-N 3.14Å; E369-Q372 WeakPolarHBondContact O-CB 3.08Å; E369-Q372 PolarHBondContact O-N 2.81Å; G370-Q372 VanDerWaalsContact C-N 3.31Å; G370-Q372 PolarHBondContact O-N 3.47Å; Q372-E375 PolarHBondContact O-N 2.83Å; Q372-A376 WeakPolarHBondContact O-CB 3.41Å; Q372-A376 PolarHBondContact O-N 3.32Å
373D95.8Very high93.6Very high7 Ų767.9 Ų67.94%0.03734%0.34CS..Hα-helixtrans-69.4-40.2177-86.8-29.3000112.7R357 E369 G370 L371 A376 A377R357-D373 WeakPolarHBondContact CB-OD2 3.2Å; R357-D373 VanDerWaalsContact CG-OD2 3.29Å; R357-D373 WeakPolarHBondContact CG-OD2 3.43Å; R357-D373 IonicContact CZ-OD1 2.66Å; R357-D373 IonicContact CZ-OD2 2.67Å; R357-D373 IonicContact NE-OD1 3.19Å; R357-D373 PolarHBondContact NE-OD1 3.31Å; R357-D373 IonicContact NE-OD2 3Å; R357-D373 PolarHBondContact NE-OD2 2.87Å; R357-D373 IonicContact NH2-OD1 3.54Å; R357-D373 PolarHBondContact NH2-OD1 2.73Å; R357-D373 IonicContact NH2-OD2 3.92Å; E369-D373 PolarHBondContact O-N 3.27Å; G370-D373 PolarHBondContact O-N 2.92Å; L371-D373 VanDerWaalsContact C-N 3.29Å; L371-D373 PolarHBondContact O-N 3.45Å; D373-A376 PolarHBondContact O-N 3.05Å; D373-A377 PolarHBondContact O-N 2.83Å
374Y95.3Very high93.5Very high14 Ų1466.1 Ų66.16%0.05533%0.334CS..Hα-helixtrans-65.2-38.3174-88.3-88.8000111.9V355 G370 L371 A377 L378 D390 I394V355-Y374 HydrophobicContact CG1-CE1 4.29Å; G370-Y374 WeakPolarHBondContact O-CD2 3.45Å; G370-Y374 PolarHBondContact O-N 2.77Å; L371-Y374 PolarHBondContact O-N 2.85Å; Y374-A377 WeakPolarHBondContact O-CB 3.33Å; Y374-A377 PolarHBondContact O-N 3.31Å; Y374-L378 WeakPolarHBondContact O-CG 3.37Å; Y374-L378 PolarHBondContact O-N 3.45Å; Y374-D390 HydrophobicContact CD1-CB 4.01Å; Y374-D390 HydrophobicContact CE1-CB 3.4Å; Y374-D390 VanDerWaalsContact CE1-CB 3.4Å; Y374-D390 PolarHBondContact OH-OD2 2.76Å; Y374-I394 HydrophobicContact CD2-CD1 3.44Å; Y374-I394 VanDerWaalsContact CD2-CD1 3.44Å; Y374-I394 HydrophobicContact CE2-CD1 3.56Å; Y374-I394 HydrophobicContact CG-CD1 4.01Å
375E94.9Very high93.4Very high72 Ų7270.6 Ų70.634%0.33635%0.353SS..Hα-helixtrans-67.8-38.4174.2-73.1-175.4166.900112.3L371 Q372 A377 L378 K379 R395L371-E375 HydrophobicContact CD1-CG 4.36Å; L371-E375 HydrophobicContact CG-CG 4.36Å; L371-E375 WeakPolarHBondContact O-CB 3.41Å; L371-E375 WeakPolarHBondContact O-CG 3.24Å; L371-E375 PolarHBondContact O-N 2.99Å; Q372-E375 PolarHBondContact O-N 2.83Å; E375-A377 VanDerWaalsContact C-N 3.27Å; E375-A377 PolarHBondContact O-N 2.84Å; E375-L378 PolarHBondContact O-N 2.83Å; E375-K379 WeakPolarHBondContact O-CG 3.25Å; E375-K379 PolarHBondContact O-N 3.02Å; E375-R395 IonicContact OE1-CZ 3.99Å; E375-R395 IonicContact OE1-NE 3.87Å; E375-R395 IonicContact OE1-NH2 3.46Å; E375-R395 PolarHBondContact OE1-NH2 2.84Å; E375-R395 VanDerWaalsContact OE1-NH2 3.15Å
376A93.3Very high93.3Very high36 Ų3668.8 Ų68.830%0.29835%0.345SS..Hα-helixtrans-61.2-38.6172.100000111.6Q372 D373Q372-A376 WeakPolarHBondContact O-CB 3.41Å; Q372-A376 PolarHBondContact O-N 3.32Å; D373-A376 PolarHBondContact O-N 3.05Å
377A94Very high93.2Very high0 Ų065.9 Ų65.90%033%0.33CS..Hα-helixtrans-68.8-42.7175.200000112.4V351 V355 D373 Y374 E375 K379 I380 E381 L387V351-A377 HydrophobicContact CG1-CB 4.27Å; V355-A377 HydrophobicContact CG2-CB 3.96Å; D373-A377 PolarHBondContact O-N 2.83Å; Y374-A377 WeakPolarHBondContact O-CB 3.33Å; Y374-A377 PolarHBondContact O-N 3.31Å; E375-A377 VanDerWaalsContact C-N 3.27Å; E375-A377 PolarHBondContact O-N 2.84Å; A377-K379 VanDerWaalsContact C-N 3.29Å; A377-K379 PolarHBondContact O-N 3Å; A377-I380 PolarHBondContact O-N 3.33Å; A377-E381 PolarHBondContact O-N 3.15Å; A377-L387 HydrophobicContact CB-CD2 3.49Å; A377-L387 VanDerWaalsContact CB-CD2 3.49Å
378L94.5Very high93.2Very high28 Ų2867.2 Ų67.215%0.14734%0.338CS..Hα-helixtrans-63.8-29.5175.8-76.8170.6000113.3Y374 E375 I380 E381 P382 L387 Q388 A391Y374-L378 WeakPolarHBondContact O-CG 3.37Å; Y374-L378 PolarHBondContact O-N 3.45Å; E375-L378 PolarHBondContact O-N 2.83Å; L378-I380 PolarHBondContact O-N 3.43Å; L378-E381 CarbonylContact O-C 3.52Å; L378-P382 WeakPolarHBondContact O-CA 3.44Å; L378-P382 WeakPolarHBondContact O-CD 3.47Å; L378-P382 WeakPolarHBondContact O-CG 3.29Å; L378-P382 VanDerWaalsContact O-N 3.12Å; L378-L387 HydrophobicContact CD2-CB 3.73Å; L378-L387 HydrophobicContact CG-CB 4.22Å; L378-Q388 HydrophobicContact CD2-CG 3.65Å; L378-A391 HydrophobicContact CD1-CB 3.82Å
379K93Very high93.2Very high172 Ų17270.6 Ų70.675%0.74834%0.337SS*.Hα-helixtrans-63.2-27.5171.8-74.8170.9-174.4173.40112.7E375 A377E375-K379 WeakPolarHBondContact O-CG 3.25Å; E375-K379 PolarHBondContact O-N 3.02Å; A377-K379 VanDerWaalsContact C-N 3.29Å; A377-K379 PolarHBondContact O-N 3Å
380I90.9Very high93.1Very high50 Ų5068.8 Ų68.826%0.25633%0.331SS..Hα-helixtrans-90.1-45.5179.2-57.5171.4000110.6A347 R350 V351 A377 L378 P382A347-I380 HydrophobicContact CB-CG2 3.62Å; R350-I380 HydrophobicContact CB-CD1 3.99Å; V351-I380 HydrophobicContact CG2-CB 3.59Å; V351-I380 HydrophobicContact CG2-CD1 3.98Å; V351-I380 HydrophobicContact CG2-CG1 4.37Å; V351-I380 HydrophobicContact CG2-CG2 3.58Å; A377-I380 PolarHBondContact O-N 3.33Å; L378-I380 PolarHBondContact O-N 3.43Å; I380-P382 WeakPolarHBondContact O-CD 3.27Å
381E90.8Very high93.1Very high67 Ų6768.8 Ų68.831%0.31333%0.331SS..  trans-120.479.2177.8-73.5-180-16900111.6V351 A377 L378 H383 N384V351-E381 HydrophobicContact CG2-CB 4.49Å; V351-E381 HydrophobicContact CG2-CG 4.05Å; A377-E381 PolarHBondContact O-N 3.15Å; L378-E381 CarbonylContact O-C 3.52Å; E381-H383 PolarHBondContact O-N 2.74Å; E381-N384 HydrophobicContact CB-CB 4.38Å; E381-N384 PolarHBondContact O-N 3.05Å
382P90.4Very high93Very high70 Ų7071.6 Ų71.646%0.45534%0.343SS..THydrogen-bonded Turntrans-67.2-23.3-176.1-20.831.4000114.2L378 I380 Q388L378-P382 WeakPolarHBondContact O-CA 3.44Å; L378-P382 WeakPolarHBondContact O-CD 3.47Å; L378-P382 WeakPolarHBondContact O-CG 3.29Å; L378-P382 VanDerWaalsContact O-N 3.12Å; I380-P382 WeakPolarHBondContact O-CD 3.27Å; P382-Q388 PolarHBondContact O-NE2 2.7Å
383H89.4Confident92.8Very high179 Ų17969.4 Ų69.483%0.82934%0.335SS*.THydrogen-bonded Turntrans-90.82.5-173.5-70.974.2000113.6E381 E385E381-H383 PolarHBondContact O-N 2.74Å; H383-E385 PolarHBondContact O-N 3.23Å
384N92.3Very high92.7Very high48 Ų4869.5 Ų69.526%0.25734%0.335SS..  trans-81.2102.2-178.9-167.1-33.1000110.6E381 E386 L387 Q388E381-N384 HydrophobicContact CB-CB 4.38Å; E381-N384 PolarHBondContact O-N 3.05Å; N384-E386 PolarHBondContact O-N 2.84Å; N384-E386 WeakPolarHBondContact OD1-CB 3.45Å; N384-E386 PolarHBondContact OD1-N 3.04Å; N384-E386 VanDerWaalsContact OD1-N 3.1Å; N384-L387 HydrophobicContact CB-CB 4.29Å; N384-L387 HydrophobicContact CB-CD1 4.14Å; N384-L387 VanDerWaalsContact CG-CD1 3.5Å; N384-L387 WeakPolarHBondContact ND2-CD1 3.2Å; N384-L387 PolarHBondContact O-N 3.48Å; N384-L387 PolarHBondContact OD1-N 2.91Å; N384-Q388 WeakPolarHBondContact O-CG 3.18Å; N384-Q388 PolarHBondContact O-N 3.46Å; N384-Q388 VanDerWaalsContact O-N 3.12Å
385E92.2Very high92.6Very high140 Ų14072.2 Ų72.265%0.65435%0.345SS*.Hα-helixtrans-59.4-30.8-179.3-63.8-175.8174.800113.1H383 Q388 R389H383-E385 PolarHBondContact O-N 3.23Å; E385-Q388 PolarHBondContact O-N 2.75Å; E385-R389 WeakPolarHBondContact O-CB 3.23Å; E385-R389 WeakPolarHBondContact O-CG 3.07Å; E385-R389 PolarHBondContact O-N 2.97Å
386E90.9Very high92.5Very high113 Ų11372.7 Ų72.753%0.52835%0.35SS..Hα-helixtrans-68.7-47.1179-169.6175.5-167.500111.3N384 Q388 R389 D390N384-E386 PolarHBondContact O-N 2.84Å; N384-E386 WeakPolarHBondContact OD1-CB 3.45Å; N384-E386 PolarHBondContact OD1-N 3.04Å; N384-E386 VanDerWaalsContact OD1-N 3.1Å; E386-Q388 VanDerWaalsContact C-N 3.29Å; E386-Q388 PolarHBondContact O-N 3.16Å; E386-R389 PolarHBondContact O-N 2.89Å; E386-D390 PolarHBondContact O-N 3.4Å
387L92.3Very high92.4Very high12 Ų1274 Ų746%0.06335%0.352CS..Hα-helixtrans-63.3-36.6175.6-89.179000112V351 V355 A377 L378 N384 A391V351-L387 HydrophobicContact CG1-CD2 4.16Å; V355-L387 HydrophobicContact CG2-CD1 4.28Å; V355-L387 HydrophobicContact CG2-CD2 3.74Å; V355-L387 HydrophobicContact CG2-CG 4.02Å; A377-L387 HydrophobicContact CB-CD2 3.49Å; A377-L387 VanDerWaalsContact CB-CD2 3.49Å; L378-L387 HydrophobicContact CD2-CB 3.73Å; L378-L387 HydrophobicContact CG-CB 4.22Å; N384-L387 HydrophobicContact CB-CB 4.29Å; N384-L387 HydrophobicContact CB-CD1 4.14Å; N384-L387 VanDerWaalsContact CG-CD1 3.5Å; N384-L387 WeakPolarHBondContact ND2-CD1 3.2Å; N384-L387 PolarHBondContact O-N 3.48Å; N384-L387 PolarHBondContact OD1-N 2.91Å; L387-A391 VanDerWaalsContact O-CB 3.27Å; L387-A391 WeakPolarHBondContact O-CB 3.46Å; L387-A391 PolarHBondContact O-N 3.31Å
388Q93.3Very high92.3Very high95 Ų9576.7 Ų76.744%0.44437%0.365SS..Hα-helixtrans-64.6-44.6176.6-71.1-178.94.200111.5L378 P382 N384 E385 E386 A391 Q392L378-Q388 HydrophobicContact CD2-CG 3.65Å; P382-Q388 PolarHBondContact O-NE2 2.7Å; N384-Q388 WeakPolarHBondContact O-CG 3.18Å; N384-Q388 PolarHBondContact O-N 3.46Å; N384-Q388 VanDerWaalsContact O-N 3.12Å; E385-Q388 PolarHBondContact O-N 2.75Å; E386-Q388 VanDerWaalsContact C-N 3.29Å; E386-Q388 PolarHBondContact O-N 3.16Å; Q388-A391 PolarHBondContact O-N 2.72Å; Q388-Q392 WeakPolarHBondContact O-CB 3.44Å; Q388-Q392 PolarHBondContact O-N 3.1Å
389R93.9Very high91.9Very high134 Ų13481.7 Ų81.751%0.50639%0.388SS..Hα-helixtrans-60.8-49.2175.3-79.1-173.3-78.797-5.9111.3E385 E386 A391 Q392 I393E385-R389 WeakPolarHBondContact O-CB 3.23Å; E385-R389 WeakPolarHBondContact O-CG 3.07Å; E385-R389 PolarHBondContact O-N 2.97Å; E386-R389 PolarHBondContact O-N 2.89Å; R389-A391 PolarHBondContact O-N 3.19Å; R389-Q392 PolarHBondContact O-N 2.89Å; R389-Q392 VanDerWaalsContact O-N 3.16Å; R389-I393 WeakPolarHBondContact O-CG1 3.19Å; R389-I393 PolarHBondContact O-N 2.97Å
390D92.8Very high91.3Very high45 Ų4575.6 Ų75.624%0.24137%0.374CS..Hα-helixtrans-60-45.3179-75.52.1000111.6Y374 E386 Q392 I393 I394Y374-D390 HydrophobicContact CD1-CB 4.01Å; Y374-D390 HydrophobicContact CE1-CB 3.4Å; Y374-D390 VanDerWaalsContact CE1-CB 3.4Å; Y374-D390 PolarHBondContact OH-OD2 2.76Å; E386-D390 PolarHBondContact O-N 3.4Å; D390-Q392 VanDerWaalsContact C-N 3.31Å; D390-Q392 PolarHBondContact O-N 3.2Å; D390-I393 PolarHBondContact O-N 3.24Å; D390-I394 WeakPolarHBondContact O-CD1 3.25Å; D390-I394 VanDerWaalsContact O-CG1 3.26Å; D390-I394 WeakPolarHBondContact O-CG1 3.27Å; D390-I394 PolarHBondContact O-N 2.78Å
391A93.7Very high89.9Confident0 Ų076.2 Ų76.20%038%0.383CS..Hα-helixtrans-62.1-38.2176.400000112.2L371 L378 L387 Q388 R389 I394 R395L371-A391 HydrophobicContact CD1-CB 4.34Å; L378-A391 HydrophobicContact CD1-CB 3.82Å; L387-A391 VanDerWaalsContact O-CB 3.27Å; L387-A391 WeakPolarHBondContact O-CB 3.46Å; L387-A391 PolarHBondContact O-N 3.31Å; Q388-A391 PolarHBondContact O-N 2.72Å; R389-A391 PolarHBondContact O-N 3.19Å; A391-I394 PolarHBondContact O-N 3.39Å; A391-R395 WeakPolarHBondContact O-CG 3.49Å; A391-R395 PolarHBondContact O-N 3.29Å
392Q93.3Very high88.3Confident84 Ų8476 Ų7639%0.39339%0.392SS..Hα-helixtrans-66.8-43.1176.8-169.958.237.400111.8Q388 R389 D390 I394 R395 D396Q388-Q392 WeakPolarHBondContact O-CB 3.44Å; Q388-Q392 PolarHBondContact O-N 3.1Å; R389-Q392 PolarHBondContact O-N 2.89Å; R389-Q392 VanDerWaalsContact O-N 3.16Å; D390-Q392 VanDerWaalsContact C-N 3.31Å; D390-Q392 PolarHBondContact O-N 3.2Å; Q392-I394 VanDerWaalsContact C-N 3.28Å; Q392-I394 PolarHBondContact O-N 3.4Å; Q392-R395 WeakPolarHBondContact O-CB 3.31Å; Q392-R395 PolarHBondContact O-N 3.39Å; Q392-R395 VanDerWaalsContact O-N 3.12Å; Q392-D396 PolarHBondContact NE2-OD1 2.92Å; Q392-D396 VanDerWaalsContact O-CG 3.26Å; Q392-D396 PolarHBondContact O-N 3.33Å
393I92.6Very high86.3Confident91 Ų9175.3 Ų75.347%0.46740%0.398SS..Hα-helixtrans-57.1-44.7175.1-67.9164.2000110.3R389 D390 R395 D396 I397R389-I393 WeakPolarHBondContact O-CG1 3.19Å; R389-I393 PolarHBondContact O-N 2.97Å; D390-I393 PolarHBondContact O-N 3.24Å; I393-R395 PolarHBondContact O-N 3.39Å; I393-D396 PolarHBondContact O-N 3.16Å; I393-I397 HydrophobicContact CG2-CD1 3.92Å; I393-I397 VanDerWaalsContact O-CG1 3.28Å; I393-I397 WeakPolarHBondContact O-CG1 3.5Å; I393-I397 PolarHBondContact O-N 2.93Å
394I93.2Very high84.5Confident9 Ų972.1 Ų72.15%0.04639%0.391CS..Hα-helixtrans-63.5-41.2178.1-62.5160.9000111C362 Y367 L371 Y374 D390 A391 Q392 I397 I398C362-I394 WeakPolarHBondContact SG-CD1 3.35Å; Y367-I394 HydrophobicContact CD1-CG2 4.43Å; Y367-I394 WeakPolarHBondContact O-CG2 3.23Å; L371-I394 HydrophobicContact CB-CG2 3.88Å; L371-I394 HydrophobicContact CD1-CB 4.4Å; L371-I394 HydrophobicContact CD1-CG2 4.27Å; Y374-I394 HydrophobicContact CD2-CD1 3.44Å; Y374-I394 VanDerWaalsContact CD2-CD1 3.44Å; Y374-I394 HydrophobicContact CE2-CD1 3.56Å; Y374-I394 HydrophobicContact CG-CD1 4.01Å; D390-I394 WeakPolarHBondContact O-CD1 3.25Å; D390-I394 VanDerWaalsContact O-CG1 3.26Å; D390-I394 WeakPolarHBondContact O-CG1 3.27Å; D390-I394 PolarHBondContact O-N 2.78Å; A391-I394 PolarHBondContact O-N 3.39Å; Q392-I394 VanDerWaalsContact C-N 3.28Å; Q392-I394 PolarHBondContact O-N 3.4Å; I394-I397 PolarHBondContact O-N 3.45Å; I394-I398 HydrophobicContact CG2-CD1 4.01Å; I394-I398 VanDerWaalsContact O-CG1 3.32Å; I394-I398 WeakPolarHBondContact O-CG1 3.46Å; I394-I398 PolarHBondContact O-N 2.79Å
395R93.6Very high82.3Confident71 Ų7177.9 Ų77.927%0.26842%0.417SS..Hα-helixtrans-61.4-44.5175.3-73.4-178.9-166.7113.57.3112.1L371 E375 A391 Q392 I393 I397 I398 Q399L371-R395 HydrophobicContact CD1-CG 3.8Å; L371-R395 HydrophobicContact CD2-CG 3.83Å; E375-R395 IonicContact OE1-CZ 3.99Å; E375-R395 IonicContact OE1-NE 3.87Å; E375-R395 IonicContact OE1-NH2 3.46Å; E375-R395 PolarHBondContact OE1-NH2 2.84Å; E375-R395 VanDerWaalsContact OE1-NH2 3.15Å; A391-R395 WeakPolarHBondContact O-CG 3.49Å; A391-R395 PolarHBondContact O-N 3.29Å; Q392-R395 WeakPolarHBondContact O-CB 3.31Å; Q392-R395 PolarHBondContact O-N 3.39Å; Q392-R395 VanDerWaalsContact O-N 3.12Å; I393-R395 PolarHBondContact O-N 3.39Å; R395-I397 VanDerWaalsContact C-N 3.29Å; R395-I397 PolarHBondContact O-N 2.97Å; R395-I398 PolarHBondContact O-N 2.92Å; R395-Q399 WeakPolarHBondContact O-CG 3.38Å; R395-Q399 PolarHBondContact O-N 2.56Å
396D92.9Very high80.1Confident83 Ų8378.7 Ų78.744%0.44443%0.425SS..Hα-helixtrans-64-37.7-179.6-64.1-11.5000110.8Q392 I393 Q399 G400Q392-D396 PolarHBondContact NE2-OD1 2.92Å; Q392-D396 VanDerWaalsContact O-CG 3.26Å; Q392-D396 PolarHBondContact O-N 3.33Å; I393-D396 PolarHBondContact O-N 3.16Å; D396-Q399 PolarHBondContact O-N 3.28Å; D396-G400 PolarHBondContact O-N 2.96Å
397I91.4Very high77.8Confident64 Ų6476.4 Ų76.433%0.32843%0.432SS..Hα-helixtrans-63.7-43.5174.2-67.8165.3000111.4Y367 I393 I394 R395 G400 S401Y367-I397 HydrophobicContact CD1-CG2 4.13Å; Y367-I397 HydrophobicContact CD2-CG2 3.88Å; Y367-I397 HydrophobicContact CE1-CD1 4.2Å; Y367-I397 HydrophobicContact CE1-CG2 4.02Å; Y367-I397 HydrophobicContact CE2-CG2 3.75Å; Y367-I397 HydrophobicContact CG-CG2 4.06Å; I393-I397 HydrophobicContact CG2-CD1 3.92Å; I393-I397 VanDerWaalsContact O-CG1 3.28Å; I393-I397 WeakPolarHBondContact O-CG1 3.5Å; I393-I397 PolarHBondContact O-N 2.93Å; I394-I397 PolarHBondContact O-N 3.45Å; R395-I397 VanDerWaalsContact C-N 3.29Å; R395-I397 PolarHBondContact O-N 2.97Å; I397-G400 PolarHBondContact O-N 3.33Å; I397-S401 WeakPolarHBondContact O-CB 3.31Å; I397-S401 PolarHBondContact O-N 3.34Å; I397-S401 PolarHBondContact O-OG 3.23Å
398I90.3Very high75.4Confident55 Ų5582.2 Ų82.228%0.28247%0.468SS..Hα-helixtrans-64.4-42.2177.5-66.2165.1000110.7L371 I394 R395 S401 A402L371-I398 HydrophobicContact CB-CD1 4.28Å; L371-I398 HydrophobicContact CD2-CD1 3.97Å; I394-I398 HydrophobicContact CG2-CD1 4.01Å; I394-I398 VanDerWaalsContact O-CG1 3.32Å; I394-I398 WeakPolarHBondContact O-CG1 3.46Å; I394-I398 PolarHBondContact O-N 2.79Å; R395-I398 PolarHBondContact O-N 2.92Å; I398-S401 WeakPolarHBondContact CA-OG 3.13Å; I398-S401 PolarHBondContact O-OG 2.82Å; I398-A402 PolarHBondContact O-N 3.34Å
399Q87.4Confident72.8Confident133 Ų13391.2 Ų91.262%0.62151%0.506SS*.Hα-helixtrans-69.2-38.6178.1-69.4177.88.700112.3R395 D396 G403R395-Q399 WeakPolarHBondContact O-CG 3.38Å; R395-Q399 PolarHBondContact O-N 2.56Å; D396-Q399 PolarHBondContact O-N 3.28Å; Q399-G403 PolarHBondContact O-N 3.36Å
400G79Confident71.8Confident45 Ų4589.1 Ų89.146%0.46451%0.506SS..Hα-helixtrans-67.3-40.9176.500000113.1D396 I397 G403 T404D396-G400 PolarHBondContact O-N 2.96Å; I397-G400 PolarHBondContact O-N 3.33Å; G400-G403 PolarHBondContact O-N 3.19Å; G400-T404 PolarHBondContact O-OG1 2.93Å; G400-T404 VanDerWaalsContact O-OG1 3.12Å
401S62.1Low70.7Confident63 Ų6391.4 Ų91.444%0.44152%0.52SS..Hα-helixtrans-68.7-32.5177.454.20000113.3I397 I398 G403 T404I397-S401 WeakPolarHBondContact O-CB 3.31Å; I397-S401 PolarHBondContact O-N 3.34Å; I397-S401 PolarHBondContact O-OG 3.23Å; I398-S401 WeakPolarHBondContact CA-OG 3.13Å; I398-S401 PolarHBondContact O-OG 2.82Å; S401-G403 VanDerWaalsContact C-N 3.28Å; S401-G403 PolarHBondContact O-N 3.41Å; S401-T404 PolarHBondContact O-N 2.92Å
402A58.1Low69.4Low62 Ų6296.5 Ų96.551%0.51255%0.549SS..Hα-helixtrans-67.5-26.8172.600000113.1I398I398-A402 PolarHBondContact O-N 3.34Å
403G48.6Very low68Low55 Ų5597.2 Ų97.257%0.56756%0.558SS**Hα-helixtrans-71.8-30.917700000113.9Q399 G400 S401Q399-G403 PolarHBondContact O-N 3.36Å; G400-G403 PolarHBondContact O-N 3.19Å; S401-G403 VanDerWaalsContact C-N 3.28Å; S401-G403 PolarHBondContact O-N 3.41Å
404T51Low66.5Low112 Ų11297.6 Ų97.669%0.68756%0.564SS**Hα-helixtrans-84-19.3-173.5-18.10000113.9G400 S401G400-T404 PolarHBondContact O-OG1 2.93Å; G400-T404 VanDerWaalsContact O-OG1 3.12Å; S401-T404 PolarHBondContact O-N 2.92Å
405Q47Very low64.7Low170 Ų170103.5 Ų103.579%0.79460%0.598SS**THydrogen-bonded Turntrans-84.6-8.3-179.5-67.9-149-6.200114.9
406N45.6Very low62.6Low156 Ų156105.9 Ų105.983%0.83462%0.622SS**THydrogen-bonded Turntrans-9413.1179.6-78.6-28.4000114.4
407G42.3Very low60.3Low65 Ų65107.6 Ų107.667%0.6764%0.636SS**  trans-114.313.1-16900000117.5
408T42Very low57.7Low134 Ų134111.3 Ų111.382%0.82266%0.661SS**  trans-130.792.8172.543.80000109.8
409K39.1Very low54.7Low285 Ų285116.4 Ų116.4100%1.23970%0.696SS**  trans-104.30156.5-89.7-169.9176.8-178.50109

Retrieved 409 of 409 residues in 477.1 ms (Link to these results)

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