A0A5K4F2T7_SCHMA Loading...

Anaphase-promoting complex subunit 4

AlphaFold DB , UniProt , Accession A0A5K4F2T7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 881 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.7Very low74.2Confident179 Ų17965.1 Ų65.188%0.88235%0.351SS*.  0104.70-166.4-171.3-69.400103.2V3 D755M1-V3 PolarHBondContact O-N 3.47Å; M1-D755 VanDerWaalsContact N-CG 3.31Å; M1-D755 PolarHBondContact N-OD1 3.46Å; M1-D755 VanDerWaalsContact N-OD1 3.16Å; M1-D755 PolarHBondContact N-OD2 2.89Å
2V49Very low75.8Confident82 Ų8264.2 Ų64.250%0.49735%0.349SS..  trans-52.9118.9-168.5-177.90000107.8D4V2-D4 VanDerWaalsContact C-N 3.28Å; V2-D4 PolarHBondContact O-N 3.32Å
3V55.6Low77Confident34 Ų3467.3 Ų67.321%0.20635%0.353CS..  trans-72.694.9-178.2-165.20000106.1M1 F5 V694M1-V3 PolarHBondContact O-N 3.47Å; V3-F5 HydrophobicContact CB-CD2 4.24Å; V3-F5 HydrophobicContact CG1-CD2 3.16Å; V3-F5 HydrophobicContact CG1-CE2 3.15Å; V3-F5 HydrophobicContact CG1-CG 4.25Å; V3-F5 HydrophobicContact CG1-CZ 4.24Å; V3-F5 PolarHBondContact O-N 3.34Å; V3-V694 HydrophobicContact CG2-CG2 4.35Å
4D62.9Low77.9Confident102 Ų10271 Ų7155%0.54537%0.367SS..  trans-73.685.7178.4-69.5-24.5000108V2 P837V2-D4 VanDerWaalsContact C-N 3.28Å; V2-D4 PolarHBondContact O-N 3.32Å; D4-P837 HydrophobicContact CB-CG 4.01Å; D4-P837 WeakPolarHBondContact O-CD 3.41Å
5F72.5Confident78.3Confident20 Ų2068.3 Ų68.39%0.08835%0.353CS..  trans-113.1139.5164.6-76.5-66000108.2V3 M750 M834 E835 R836V3-F5 HydrophobicContact CB-CD2 4.24Å; V3-F5 HydrophobicContact CG1-CD2 3.16Å; V3-F5 HydrophobicContact CG1-CE2 3.15Å; V3-F5 HydrophobicContact CG1-CG 4.25Å; V3-F5 HydrophobicContact CG1-CZ 4.24Å; V3-F5 PolarHBondContact O-N 3.34Å; F5-M750 HydrophobicContact CB-CE 3.57Å; F5-M750 HydrophobicContact CB-SD 4.12Å; F5-M750 HydrophobicContact CD2-CE 4.32Å; F5-M750 HydrophobicContact CD2-SD 4.26Å; F5-M750 HydrophobicContact CG-CE 4.36Å; F5-M834 HydrophobicContact CB-CE 3.99Å; F5-M834 HydrophobicContact CD1-CB 4.21Å; F5-E835 CarbonylContact C-O 3.46Å; F5-E835 VanDerWaalsContact CA-O 3.25Å; F5-E835 WeakPolarHBondContact CA-O 3.44Å; F5-R836 HydrophobicContact CD1-CG 3.6Å; F5-R836 HydrophobicContact CE1-CG 3.38Å; F5-R836 HydrophobicContact CZ-CG 4.16Å
6T81.7Confident77.4Confident57 Ų5772.2 Ų72.235%0.3538%0.381SS..EExtended strand (participates in β ladder)trans-111.2147.9170.854.80000109.8E835T6-E835 PolarHBondContact N-O 3.49Å; T6-E835 PolarHBondContact O-N 3.43Å; T6-E835 VanDerWaalsContact O-N 3.09Å; T6-E835 PolarHBondContact OG1-O 2.89Å
7Y89.2Confident77Confident27 Ų2777.1 Ų77.111%0.10640%0.398CS..EExtended strand (participates in β ladder)trans-81.2120.1173.4-65.5-79.3000109.8L696 L748 M750 E801 M834Y7-L696 WeakPolarHBondContact OH-CD2 3.45Å; Y7-L748 HydrophobicContact CD1-CD2 3.78Å; Y7-L748 HydrophobicContact CE1-CD2 3.3Å; Y7-L748 HydrophobicContact CE1-CG 3.84Å; Y7-M750 WeakPolarHBondContact OH-CB 3.44Å; Y7-M750 PolarHBondContact OH-N 3.47Å; Y7-E801 HydrophobicContact CD2-CB 3.53Å; Y7-E801 HydrophobicContact CE2-CB 4.06Å; Y7-E801 HydrophobicContact CG-CB 3.86Å; Y7-M834 HydrophobicContact CD1-CE 3.56Å; Y7-M834 HydrophobicContact CD1-SD 3.19Å; Y7-M834 WeakPolarHBondContact CD1-SD 2.98Å; Y7-M834 HydrophobicContact CE1-CE 3.37Å; Y7-M834 HydrophobicContact CE1-SD 3.28Å; Y7-M834 WeakPolarHBondContact CE1-SD 3.16Å; Y7-M834 HydrophobicContact CE2-CE 4.46Å; Y7-M834 HydrophobicContact CG-CE 4.17Å; Y7-M834 HydrophobicContact CG-SD 4.17Å
8S90.8Very high76.9Confident36 Ų3675.2 Ų75.225%0.25239%0.391SS..EExtended strand (participates in β ladder)trans-106.7110.1174179.70000108.8V10 Y832 L833 E835S8-V10 PolarHBondContact O-N 3.26Å; S8-Y832 CarbonylContact O-C 3.49Å; S8-Y832 VanDerWaalsContact O-CA 3.27Å; S8-Y832 WeakPolarHBondContact O-CA 3.41Å; S8-L833 PolarHBondContact N-O 3.38Å; S8-L833 PolarHBondContact O-N 2.83Å; S8-E835 VanDerWaalsContact CB-CD 3.49Å; S8-E835 WeakPolarHBondContact CB-OE1 3.18Å; S8-E835 PolarHBondContact OG-OE1 2.83Å
9L92.2Very high77.6Confident77 Ų7777.5 Ų77.540%0.40340%0.397SS..EExtended strand (participates in β ladder)trans-7011918017766000109.9R830 Y832L9-R830 HydrophobicContact CD1-CB 4.17Å; L9-R830 HydrophobicContact CD1-CG 3.95Å; L9-Y832 HydrophobicContact CB-CD1 4.14Å; L9-Y832 HydrophobicContact CB-CE1 3.96Å; L9-Y832 HydrophobicContact CD1-CD1 4.16Å; L9-Y832 HydrophobicContact CD1-CE1 3.78Å; L9-Y832 HydrophobicContact CD1-CE2 4.42Å; L9-Y832 HydrophobicContact CG-CE1 4.45Å
10V92.2Very high78.4Confident37 Ų3774 Ų7422%0.22438%0.379CS..EExtended strand (participates in β ladder)trans-89.3-51.9176.9-178.90000111.3S8 Y46 K47 V831 L833S8-V10 PolarHBondContact O-N 3.26Å; V10-Y46 HydrophobicContact CG1-CD2 3.82Å; V10-Y46 HydrophobicContact CG1-CE2 3.65Å; V10-Y46 HydrophobicContact CG2-CE2 4.49Å; V10-K47 HydrophobicContact CG1-CG 4.05Å; V10-V831 HydrophobicContact CB-CB 4.46Å; V10-V831 HydrophobicContact CB-CG1 4.44Å; V10-V831 PolarHBondContact N-O 3.3Å; V10-L833 HydrophobicContact CG2-CB 4.13Å; V10-L833 HydrophobicContact CG2-CD1 3.5Å; V10-L833 HydrophobicContact CG2-CG 3.52Å
11E91.8Very high79.1Confident65 Ų6573 Ų7330%0.30438%0.376SS..EExtended strand (participates in β ladder)trans-149.3140.5-167.2-168.267.4-134.800110.7R13 M48 R830 V831E11-R13 HydrophobicContact CG-CB 4.4Å; E11-M48 HydrophobicContact CG-CB 4.39Å; E11-M48 HydrophobicContact CG-CG 4.42Å; E11-R830 WeakPolarHBondContact O-CA 3.49Å; E11-V831 HydrophobicContact CB-CB 4.49Å; E11-V831 PolarHBondContact N-O 3.28Å; E11-V831 PolarHBondContact O-N 3.35Å
12T93Very high81.7Confident54 Ų5464.7 Ų64.733%0.33134%0.337SS..EExtended strand (participates in β ladder)trans-120.6120.6164.3-60.70000107.7W805 R830T12-W805 HydrophobicContact CG2-CH2 4.25Å; T12-W805 HydrophobicContact CG2-CZ3 4.03Å; T12-R830 HydrophobicContact CG2-CG 4.02Å; T12-R830 WeakPolarHBondContact OG1-CG 3.39Å; T12-R830 PolarHBondContact OG1-NE 2.71Å; T12-R830 VanDerWaalsContact OG1-NE 3.14Å
13R91.6Very high83.8Confident105 Ų10561.3 Ų61.340%0.39632%0.317SS..EExtended strand (participates in β ladder)trans-135.7141-175.6-168.5146.4177.9163.9-2.6112.3E11 L15 M48 T828 C829E11-R13 HydrophobicContact CG-CB 4.4Å; R13-L15 HydrophobicContact CG-CD2 4.39Å; R13-M48 HydrophobicContact CB-CB 4.28Å; R13-M48 HydrophobicContact CB-CG 4.4Å; R13-M48 HydrophobicContact CG-CB 4.43Å; R13-M48 PolarHBondContact NH1-O 2.88Å; R13-M48 VanDerWaalsContact NH1-O 3.12Å; R13-T828 CarbonylContact O-C 3.58Å; R13-T828 WeakPolarHBondContact O-CA 3.29Å; R13-C829 PolarHBondContact N-O 3.16Å; R13-C829 PolarHBondContact O-N 3.27Å
14Q89.6Confident85.7Confident119 Ų11962 Ų6256%0.55632%0.319SS*.EExtended strand (participates in β ladder)trans-103.7118.4168.7-170.9174.712.900109.3V16Q14-V16 PolarHBondContact O-N 3.12Å
15L84.1Confident87.3Confident30 Ų3057.6 Ų57.616%0.15729%0.294CS..  trans-89.695.3179.3-64.6168.7000107.7R13 K17 I20 L34 S827R13-L15 HydrophobicContact CG-CD2 4.39Å; L15-K17 VanDerWaalsContact C-N 3.25Å; L15-K17 PolarHBondContact O-N 3.09Å; L15-I20 HydrophobicContact CB-CD1 4.28Å; L15-I20 HydrophobicContact CD1-CD1 3.31Å; L15-I20 HydrophobicContact CD1-CG1 4.46Å; L15-I20 HydrophobicContact CG-CD1 4.36Å; L15-L34 HydrophobicContact CD1-CD1 3.57Å; L15-S827 WeakPolarHBondContact CB-O 3.45Å; L15-S827 PolarHBondContact N-O 3.06Å; L15-S827 WeakPolarHBondContact O-CB 3.16Å
16V63.7Low88.3Confident131 Ų13156.6 Ų56.679%0.79429%0.29SS*.  trans-70.9-13.2-163.2-174.40000114.1Q14Q14-V16 PolarHBondContact O-N 3.12Å
17K69.9Low88.8Confident155 Ų15556.2 Ų56.267%0.67429%0.288SS*.SBendtrans-88-39.8-166.6-67.2-173.7-176.5176.80114.8L15 E53L15-K17 VanDerWaalsContact C-N 3.25Å; L15-K17 PolarHBondContact O-N 3.09Å; K17-E53 IonicContact NZ-OE1 3.29Å; K17-E53 IonicContact NZ-OE2 3.5Å; K17-E53 PolarHBondContact NZ-OE2 3.16Å
18T75.5Confident88.8Confident44 Ų4460.1 Ų60.127%0.2731%0.306SS..SBendtrans-158.5160-166.455.40000111.4S36 S38T18-S36 VanDerWaalsContact OG1-CB 3.23Å; T18-S36 WeakPolarHBondContact OG1-CB 3.37Å; T18-S38 VanDerWaalsContact CG2-OG 3.26Å; T18-S38 WeakPolarHBondContact CG2-OG 3.2Å
19K90.8Very high88.9Confident119 Ų11960.6 Ų60.652%0.51731%0.308SS..  trans-81.7128.3176.5-62.7-179.8-179.6177.90109.6S36 D37 H826K19-S36 CarbonylContact O-C 3.49Å; K19-S36 WeakPolarHBondContact O-CA 3.46Å; K19-S36 WeakPolarHBondContact O-CB 3.47Å; K19-D37 HydrophobicContact CB-CB 4.45Å; K19-D37 WeakPolarHBondContact CB-OD2 3.31Å; K19-D37 PolarHBondContact N-OD1 2.8Å; K19-D37 PolarHBondContact O-N 2.94Å; K19-H826 HydrophobicContact CB-CB 3.74Å; K19-H826 HydrophobicContact CG-CB 4.11Å
20I93.4Very high88.9Confident6 Ų659.6 Ų59.63%0.03130%0.303CS..EExtended strand (participates in β ladder)trans-81124.5178.6-57.2163.5000108.6L15 A22 C23 L34 L822 H826L15-I20 HydrophobicContact CB-CD1 4.28Å; L15-I20 HydrophobicContact CD1-CD1 3.31Å; L15-I20 HydrophobicContact CD1-CG1 4.46Å; L15-I20 HydrophobicContact CG-CD1 4.36Å; I20-A22 WeakPolarHBondContact CG2-O 3.24Å; I20-C23 HydrophobicContact CG2-CB 4.48Å; I20-L34 HydrophobicContact CD1-CD1 4.4Å; I20-L34 HydrophobicContact CG2-CD2 4.48Å; I20-L822 HydrophobicContact CB-CD1 4.24Å; I20-L822 HydrophobicContact CB-CD2 4.23Å; I20-L822 HydrophobicContact CD1-CD1 3.93Å; I20-L822 HydrophobicContact CG2-CD2 4.24Å; I20-H826 WeakPolarHBondContact CB-O 3.34Å; I20-H826 WeakPolarHBondContact CG1-O 3.4Å; I20-H826 PolarHBondContact N-O 2.95Å; I20-H826 PolarHBondContact O-ND1 3.25Å
21V92.5Very high89.1Confident53 Ų5358.7 Ų58.732%0.32130%0.296SS..EExtended strand (participates in β ladder)trans-111.2-29.4179.7-640000111.6G35 S36 D37 V62 K809V21-G35 WeakPolarHBondContact CG2-O 3.17Å; V21-G35 PolarHBondContact N-O 3.14Å; V21-S36 VanDerWaalsContact CG2-C 3.5Å; V21-D37 HydrophobicContact CG1-CB 3.83Å; V21-V62 HydrophobicContact CG2-CB 4.3Å; V21-V62 WeakPolarHBondContact CG2-O 3.28Å; V21-K809 PolarHBondContact O-NZ 3Å
22A93Very high89.3Confident6 Ų655.6 Ų55.65%0.0528%0.282CS..EExtended strand (participates in β ladder)trans-131.3138.6178.100000110.9I20 L34 G35 V62 L65I20-A22 WeakPolarHBondContact CG2-O 3.24Å; A22-L34 WeakPolarHBondContact O-CA 3.42Å; A22-G35 PolarHBondContact N-O 3.25Å; A22-G35 VanDerWaalsContact N-O 3.13Å; A22-G35 PolarHBondContact O-N 2.9Å; A22-V62 HydrophobicContact CB-CG1 4.28Å; A22-L65 HydrophobicContact CB-CD1 3.75Å; A22-L65 HydrophobicContact CB-CG 3.89Å
23C94.4Very high89.5Confident11 Ų1153 Ų537%0.07427%0.266CS..EExtended strand (participates in β ladder)trans-145.6137.8174.653.40000109.4I20 A33 L34 T811 F820I20-C23 HydrophobicContact CG2-CB 4.48Å; C23-A33 CarbonylContact C-O 3.59Å; C23-A33 VanDerWaalsContact CA-O 3.3Å; C23-A33 WeakPolarHBondContact CA-O 3.22Å; C23-L34 HydrophobicContact CB-CD2 3.65Å; C23-T811 HydrophobicContact CB-CG2 4.28Å; C23-F820 HydrophobicContact CB-CD1 4.35Å; C23-F820 HydrophobicContact CB-CE1 3.95Å
24L95.3Very high89.7Confident47 Ų4748.3 Ų48.325%0.24625%0.249CC..EExtended strand (participates in β ladder)trans-156.3130179.7-170.868.3000111.8A33 L65 W67L24-A33 PolarHBondContact N-O 2.92Å; L24-A33 PolarHBondContact O-N 2.6Å; L24-L65 HydrophobicContact CB-CB 4.45Å; L24-L65 WeakPolarHBondContact CD2-O 3.15Å; L24-W67 PolarHBondContact O-NE1 3.32Å
25W95.7Very high90Very high10 Ų1042.7 Ų42.74%0.03822%0.223CC..EExtended strand (participates in β ladder)trans-70.6145.4172.8-70.8105.5000112.7I32 W67 T811 N813 I818 F820 V831W25-I32 HydrophobicContact CD2-CB 4.02Å; W25-I32 HydrophobicContact CD2-CD1 4.16Å; W25-I32 HydrophobicContact CD2-CG1 4.2Å; W25-I32 HydrophobicContact CE3-CB 3.6Å; W25-I32 HydrophobicContact CE3-CG1 4.3Å; W25-I32 HydrophobicContact CH2-CB 4.11Å; W25-I32 HydrophobicContact CH2-CD1 4.4Å; W25-I32 HydrophobicContact CH2-CG2 4.36Å; W25-I32 HydrophobicContact CZ2-CD1 4.04Å; W25-I32 HydrophobicContact CZ3-CB 3.63Å; W25-I32 HydrophobicContact CZ3-CG2 4.14Å; W25-W67 PolarHBondContact O-NE1 3.06Å; W25-T811 PolarHBondContact NE1-O 3.31Å; W25-N813 HydrophobicContact CB-CB 3.87Å; W25-N813 HydrophobicContact CG-CB 4.21Å; W25-I818 HydrophobicContact CD2-CD1 3.71Å; W25-I818 HydrophobicContact CD2-CG1 4.1Å; W25-I818 HydrophobicContact CE3-CD1 3.38Å; W25-I818 HydrophobicContact CE3-CG1 4.26Å; W25-I818 HydrophobicContact CG-CD1 4.43Å; W25-I818 HydrophobicContact CH2-CD1 4.01Å; W25-I818 HydrophobicContact CZ2-CB 4.29Å; W25-I818 HydrophobicContact CZ2-CD1 4.25Å; W25-I818 HydrophobicContact CZ2-CG1 4.37Å; W25-I818 HydrophobicContact CZ3-CD1 3.57Å; W25-F820 HydrophobicContact CZ2-CB 3.77Å; W25-V831 HydrophobicContact CH2-CG1 4.14Å; W25-V831 HydrophobicContact CZ2-CG1 4.14Å
26S94.8Very high90.5Very high0 Ų041.4 Ų41.40%022%0.216CC..  trans-62.9137.5165.3169.20000109.3K28 T29 L31 N813S26-K28 VanDerWaalsContact C-N 3.28Å; S26-K28 PolarHBondContact O-N 3Å; S26-K28 PolarHBondContact OG-N 3.36Å; S26-T29 WeakPolarHBondContact CB-OG1 3.47Å; S26-T29 PolarHBondContact OG-N 3.01Å; S26-T29 PolarHBondContact OG-OG1 3.48Å; S26-L31 VanDerWaalsContact CB-O 3.31Å; S26-L31 WeakPolarHBondContact CB-O 3.33Å; S26-L31 PolarHBondContact N-O 3.3Å; S26-N813 PolarHBondContact O-ND2 2.93Å
27P91.2Very high91.9Very high48 Ų4838.3 Ų38.331%0.31220%0.195SC..SBendtrans-68.6-28.1179.326.4-33.8000112.4W67 N813P27-W67 VanDerWaalsContact CD-CB 3.49Å; P27-W67 HydrophobicContact CG-CB 4.25Å; P27-N813 PolarHBondContact O-ND2 3.34Å
28K89.5Confident93.1Very high110 Ų11033.1 Ų33.148%0.47818%0.179SC..SBendtrans-109.2-25.6-172.3-69.5-161.7178.3173.80114.9S26 P69 D70 R816S26-K28 VanDerWaalsContact C-N 3.28Å; S26-K28 PolarHBondContact O-N 3Å; S26-K28 PolarHBondContact OG-N 3.36Å; K28-P69 WeakPolarHBondContact CE-O 3.43Å; K28-D70 WeakPolarHBondContact CD-O 2.96Å; K28-R816 PolarHBondContact O-NE 3.34Å; K28-R816 VanDerWaalsContact O-NE 3.14Å; K28-R816 PolarHBondContact O-NH2 3.29Å
29T92.3Very high93.9Very high46 Ų4631 Ų3128%0.28217%0.166SC..SBendtrans-121.1170.1-170.857.40000111S26 L31S26-T29 WeakPolarHBondContact CB-OG1 3.47Å; S26-T29 PolarHBondContact OG-N 3.01Å; S26-T29 PolarHBondContact OG-OG1 3.48Å; T29-L31 PolarHBondContact O-N 2.81Å; T29-L31 VanDerWaalsContact O-N 3.1Å; T29-L31 VanDerWaalsContact OG1-CG 3.31Å; T29-L31 WeakPolarHBondContact OG1-CG 3.48Å
30D92.7Very high94.2Very high56 Ų5625.7 Ų25.730%0.29914%0.143SC..SBendtrans-7926.5175.667-37.8000112.8R45 Y46D30-R45 CarbonylContact O-C 3.54Å; D30-Y46 HydrophobicContact CB-CD1 3.89Å; D30-Y46 PolarHBondContact O-N 3.01Å; D30-Y46 WeakPolarHBondContact OD2-CD1 3.36Å
31L95.9Very high94.3Very high18 Ų1825.4 Ų25.49%0.09414%0.142CC..EExtended strand (participates in β ladder)trans-100.4141.3-174.9-57.6-175.6000110.9S26 T29 V43 H44 R45 I51 W67 V88S26-L31 VanDerWaalsContact CB-O 3.31Å; S26-L31 WeakPolarHBondContact CB-O 3.33Å; S26-L31 PolarHBondContact N-O 3.3Å; T29-L31 PolarHBondContact O-N 2.81Å; T29-L31 VanDerWaalsContact O-N 3.1Å; T29-L31 VanDerWaalsContact OG1-CG 3.31Å; T29-L31 WeakPolarHBondContact OG1-CG 3.48Å; L31-V43 HydrophobicContact CB-CG1 4.05Å; L31-V43 HydrophobicContact CD1-CG1 4.17Å; L31-V43 HydrophobicContact CG-CG1 4.49Å; L31-H44 CarbonylContact C-O 3.51Å; L31-H44 VanDerWaalsContact CA-O 3.31Å; L31-H44 WeakPolarHBondContact CA-O 3.13Å; L31-R45 HydrophobicContact CD2-CG 3.9Å; L31-I51 HydrophobicContact CD1-CD1 4.22Å; L31-I51 HydrophobicContact CD2-CD1 3.3Å; L31-I51 HydrophobicContact CG-CD1 4.37Å; L31-W67 HydrophobicContact CB-CH2 4.12Å; L31-W67 HydrophobicContact CB-CZ2 4.46Å; L31-W67 HydrophobicContact CD1-CH2 4.49Å; L31-V88 HydrophobicContact CD1-CG1 3.77Å
32I96.3Very high94.5Very high0 Ų023.5 Ų23.50%013%0.131CC..EExtended strand (participates in β ladder)trans-119.4133.5171.7-170.2168.7000109.9W25 L34 V43 H44 M48 T811 F820W25-I32 HydrophobicContact CD2-CB 4.02Å; W25-I32 HydrophobicContact CD2-CD1 4.16Å; W25-I32 HydrophobicContact CD2-CG1 4.2Å; W25-I32 HydrophobicContact CE3-CB 3.6Å; W25-I32 HydrophobicContact CE3-CG1 4.3Å; W25-I32 HydrophobicContact CH2-CB 4.11Å; W25-I32 HydrophobicContact CH2-CD1 4.4Å; W25-I32 HydrophobicContact CH2-CG2 4.36Å; W25-I32 HydrophobicContact CZ2-CD1 4.04Å; W25-I32 HydrophobicContact CZ3-CB 3.63Å; W25-I32 HydrophobicContact CZ3-CG2 4.14Å; I32-L34 HydrophobicContact CD1-CD2 3.93Å; I32-L34 HydrophobicContact CG1-CD2 3.97Å; I32-V43 CarbonylContact O-C 3.56Å; I32-V43 WeakPolarHBondContact O-CA 3.45Å; I32-H44 HydrophobicContact CG2-CB 3.9Å; I32-H44 PolarHBondContact N-O 3Å; I32-H44 PolarHBondContact O-N 3.47Å; I32-M48 HydrophobicContact CD1-CE 4.36Å; I32-M48 HydrophobicContact CG2-CE 3.93Å; I32-M48 HydrophobicContact CG2-SD 4.3Å; I32-T811 HydrophobicContact CD1-CG2 4.1Å; I32-F820 HydrophobicContact CD1-CB 3.87Å; I32-F820 HydrophobicContact CD1-CD1 4.08Å; I32-F820 HydrophobicContact CD1-CD2 3.52Å; I32-F820 HydrophobicContact CD1-CE1 4.47Å; I32-F820 HydrophobicContact CD1-CE2 3.96Å; I32-F820 HydrophobicContact CD1-CG 3.56Å; I32-F820 HydrophobicContact CD1-CZ 4.42Å
33A97.2Very high94.6Very high0 Ų023.2 Ų23.20%013%0.128CC..EExtended strand (participates in β ladder)trans-92.4134.8169.500000109.4C23 L24 S42 V43 L65 W67 L74C23-A33 CarbonylContact C-O 3.59Å; C23-A33 VanDerWaalsContact CA-O 3.3Å; C23-A33 WeakPolarHBondContact CA-O 3.22Å; L24-A33 PolarHBondContact N-O 2.92Å; L24-A33 PolarHBondContact O-N 2.6Å; A33-S42 CarbonylContact C-O 3.54Å; A33-S42 WeakPolarHBondContact CA-O 3.06Å; A33-V43 HydrophobicContact CB-CG2 4.32Å; A33-L65 HydrophobicContact CB-CD1 4.06Å; A33-W67 HydrophobicContact CB-CZ2 3.6Å; A33-L74 HydrophobicContact CB-CD1 3.61Å; A33-L74 HydrophobicContact CB-CD2 3.65Å; A33-L74 HydrophobicContact CB-CG 4.31Å
34L95.7Very high94.7Very high5 Ų523.3 Ų23.33%0.02613%0.128CC..EExtended strand (participates in β ladder)trans-123.6135.5176.6-55.2179.8000109.3L15 I20 A22 C23 I32 V41 S42 F820L15-L34 HydrophobicContact CD1-CD1 3.57Å; I20-L34 HydrophobicContact CD1-CD1 4.4Å; I20-L34 HydrophobicContact CG2-CD2 4.48Å; A22-L34 WeakPolarHBondContact O-CA 3.42Å; C23-L34 HydrophobicContact CB-CD2 3.65Å; I32-L34 HydrophobicContact CD1-CD2 3.93Å; I32-L34 HydrophobicContact CG1-CD2 3.97Å; L34-V41 WeakPolarHBondContact O-CA 3.46Å; L34-S42 PolarHBondContact N-O 3.07Å; L34-S42 PolarHBondContact O-N 3.2Å; L34-F820 HydrophobicContact CD2-CE2 4.47Å; L34-F820 HydrophobicContact CD2-CZ 4.12Å
35G95.9Very high94.6Very high1 Ų127.7 Ų27.71%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-125.1135.3178.800000109.9V21 A22V21-G35 WeakPolarHBondContact CG2-O 3.17Å; V21-G35 PolarHBondContact N-O 3.14Å; A22-G35 PolarHBondContact N-O 3.25Å; A22-G35 VanDerWaalsContact N-O 3.13Å; A22-G35 PolarHBondContact O-N 2.9Å
36S95.1Very high94.5Very high3 Ų329.2 Ų29.22%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-107.3162-174.466.90000114T18 K19 V21 S38 G39 C40 V62T18-S36 VanDerWaalsContact OG1-CB 3.23Å; T18-S36 WeakPolarHBondContact OG1-CB 3.37Å; K19-S36 CarbonylContact O-C 3.49Å; K19-S36 WeakPolarHBondContact O-CA 3.46Å; K19-S36 WeakPolarHBondContact O-CB 3.47Å; V21-S36 VanDerWaalsContact CG2-C 3.5Å; S36-S38 PolarHBondContact O-N 3.34Å; S36-S38 PolarHBondContact OG-OG 2.86Å; S36-G39 PolarHBondContact O-N 3.13Å; S36-C40 PolarHBondContact N-O 3.47Å; S36-C40 WeakPolarHBondContact OG-CA 3.22Å; S36-C40 VanDerWaalsContact OG-CB 3.3Å; S36-C40 WeakPolarHBondContact OG-CB 3.14Å; S36-C40 PolarHBondContact OG-N 2.92Å; S36-C40 PolarHBondContact OG-O 2.92Å; S36-V62 PolarHBondContact O-N 3.23Å; S36-V62 VanDerWaalsContact O-N 3.15Å
37D94.1Very high94.4Very high67 Ų6734 Ų3436%0.35817%0.168SC..THydrogen-bonded Turntrans-61.5-29.7171.665.2-16.2000113K19 V21 G39 S61K19-D37 HydrophobicContact CB-CB 4.45Å; K19-D37 WeakPolarHBondContact CB-OD2 3.31Å; K19-D37 PolarHBondContact N-OD1 2.8Å; K19-D37 PolarHBondContact O-N 2.94Å; V21-D37 HydrophobicContact CG1-CB 3.83Å; D37-G39 VanDerWaalsContact C-N 3.29Å; D37-G39 PolarHBondContact O-N 3.35Å; D37-S61 WeakPolarHBondContact CA-OG 3.5Å; D37-S61 WeakPolarHBondContact O-CA 2.9Å; D37-S61 WeakPolarHBondContact O-CB 3.37Å
38S93.2Very high94.5Very high46 Ų4631.7 Ų31.732%0.32215%0.153SC..THydrogen-bonded Turntrans-74.7-9.5176.6710000115.3T18 S36 S57T18-S38 VanDerWaalsContact CG2-OG 3.26Å; T18-S38 WeakPolarHBondContact CG2-OG 3.2Å; S36-S38 PolarHBondContact O-N 3.34Å; S36-S38 PolarHBondContact OG-OG 2.86Å; S38-S57 WeakPolarHBondContact O-CA 3.26Å; S38-S57 WeakPolarHBondContact O-CB 3.05Å
39G94Very high94.7Very high0 Ų030.1 Ų30.10%015%0.152CC..SBendtrans92.52-174.800000115S36 D37 K56 G60S36-G39 PolarHBondContact O-N 3.13Å; D37-G39 VanDerWaalsContact C-N 3.29Å; D37-G39 PolarHBondContact O-N 3.35Å; G39-K56 WeakPolarHBondContact O-CB 3.16Å; G39-K56 PolarHBondContact O-N 3.09Å; G39-G60 WeakPolarHBondContact CA-O 3.34Å
40C95.4Very high94.7Very high6 Ų630.7 Ų30.74%0.04116%0.158CC..EExtended strand (participates in β ladder)trans-75.6132.1171.6170.40000111.8S36 E53 C54S36-C40 PolarHBondContact N-O 3.47Å; S36-C40 WeakPolarHBondContact OG-CA 3.22Å; S36-C40 VanDerWaalsContact OG-CB 3.3Å; S36-C40 WeakPolarHBondContact OG-CB 3.14Å; S36-C40 PolarHBondContact OG-N 2.92Å; S36-C40 PolarHBondContact OG-O 2.92Å; C40-E53 WeakPolarHBondContact SG-CG 3.3Å; C40-E53 PolarHBondContact SG-OE1 3.38Å; C40-C54 WeakPolarHBondContact CA-O 3.18Å
41V96.6Very high94.8Very high0 Ų031.4 Ų31.40%016%0.161CC..EExtended strand (participates in β ladder)trans-113.3131.4172.9-179.10000108.8L34 W52 C54 V62 L65 L74 A76 F78 F86L34-V41 WeakPolarHBondContact O-CA 3.46Å; V41-W52 HydrophobicContact CG1-CH2 4.18Å; V41-W52 HydrophobicContact CG1-CZ3 4.18Å; V41-C54 PolarHBondContact N-O 3.42Å; V41-C54 PolarHBondContact O-N 3.41Å; V41-V62 HydrophobicContact CG2-CG2 3.77Å; V41-L65 HydrophobicContact CG1-CD2 4.24Å; V41-L74 HydrophobicContact CG1-CD2 3.99Å; V41-A76 HydrophobicContact CG2-CB 3.9Å; V41-F78 HydrophobicContact CG2-CE1 4.18Å; V41-F78 HydrophobicContact CG2-CZ 4.01Å; V41-F86 HydrophobicContact CB-CZ 4.41Å; V41-F86 HydrophobicContact CG2-CZ 4.27Å
42S95.4Very high94.8Very high13 Ų1331.6 Ų31.69%0.09116%0.16CC..EExtended strand (participates in β ladder)trans-139.1152.9179.758.30000112.2A33 L34 H44 W52A33-S42 CarbonylContact C-O 3.54Å; A33-S42 WeakPolarHBondContact CA-O 3.06Å; L34-S42 PolarHBondContact N-O 3.07Å; L34-S42 PolarHBondContact O-N 3.2Å; S42-H44 WeakPolarHBondContact CB-NE2 3.34Å; S42-H44 PolarHBondContact OG-NE2 3.12Å; S42-W52 WeakPolarHBondContact CA-O 3.13Å; S42-W52 WeakPolarHBondContact CB-O 3.36Å
43V96.7Very high94.8Very high0 Ų035.8 Ų35.80%018%0.18CC..EExtended strand (participates in β ladder)trans-120.5130.5173.9173.30000109.4L31 I32 A33 I51 W52 W67 L74L31-V43 HydrophobicContact CB-CG1 4.05Å; L31-V43 HydrophobicContact CD1-CG1 4.17Å; L31-V43 HydrophobicContact CG-CG1 4.49Å; I32-V43 CarbonylContact O-C 3.56Å; I32-V43 WeakPolarHBondContact O-CA 3.45Å; A33-V43 HydrophobicContact CB-CG2 4.32Å; V43-I51 HydrophobicContact CG1-CD1 4.31Å; V43-I51 WeakPolarHBondContact O-CB 2.95Å; V43-I51 PolarHBondContact O-N 3.1Å; V43-W52 HydrophobicContact CB-CD2 4.3Å; V43-W52 HydrophobicContact CB-CZ2 3.92Å; V43-W52 HydrophobicContact CG2-CD2 4.43Å; V43-W52 HydrophobicContact CG2-CH2 3.73Å; V43-W52 HydrophobicContact CG2-CZ2 3.22Å; V43-W52 HydrophobicContact CG2-CZ3 4.48Å; V43-W52 PolarHBondContact N-O 3.25Å; V43-W67 HydrophobicContact CG1-CH2 4.02Å; V43-W67 HydrophobicContact CG1-CZ2 4.47Å; V43-W67 HydrophobicContact CG2-CH2 4.03Å; V43-W67 HydrophobicContact CG2-CZ2 4.24Å; V43-L74 HydrophobicContact CG2-CD2 3.77Å
44H95.1Very high94.6Very high13 Ų1337.1 Ų37.16%0.0619%0.189CC..EExtended strand (participates in β ladder)trans-124.5153.7-177.8-57.9-106.9000110.1L31 I32 S42 M48 T49 C50L31-H44 CarbonylContact C-O 3.51Å; L31-H44 VanDerWaalsContact CA-O 3.31Å; L31-H44 WeakPolarHBondContact CA-O 3.13Å; I32-H44 HydrophobicContact CG2-CB 3.9Å; I32-H44 PolarHBondContact N-O 3Å; I32-H44 PolarHBondContact O-N 3.47Å; S42-H44 WeakPolarHBondContact CB-NE2 3.34Å; S42-H44 PolarHBondContact OG-NE2 3.12Å; H44-M48 HydrophobicContact CB-SD 4.4Å; H44-T49 CarbonylContact C-O 3.59Å; H44-T49 VanDerWaalsContact CA-O 3.23Å; H44-T49 WeakPolarHBondContact CA-O 3.27Å; H44-C50 VanDerWaalsContact ND1-CA 3.34Å; H44-C50 WeakPolarHBondContact ND1-CA 3.4Å; H44-C50 PolarHBondContact ND1-N 2.82Å
45R94.6Very high94.6Very high140 Ų14041.9 Ų41.953%0.52822%0.215SC..EExtended strand (participates in β ladder)trans-73.9167.2163.9-64.3-168.3178.5-167.4-0.6110.8D30 L31 K47 M48 T49 I51D30-R45 CarbonylContact O-C 3.54Å; L31-R45 HydrophobicContact CD2-CG 3.9Å; R45-K47 PolarHBondContact O-N 3.49Å; R45-K47 VanDerWaalsContact O-N 3.15Å; R45-M48 VanDerWaalsContact O-CA 3.29Å; R45-M48 WeakPolarHBondContact O-CA 3.34Å; R45-M48 PolarHBondContact O-N 2.89Å; R45-T49 PolarHBondContact N-O 3.13Å; R45-I51 HydrophobicContact CG-CD1 3.92Å; R45-I51 HydrophobicContact CG-CG1 4.16Å
46Y92.4Very high94.4Very high42 Ų4243.8 Ų43.817%0.16522%0.222CC..THydrogen-bonded Turntrans-57.7-30.3179.878.9-82.3000114.4V10 D30 M48 V831V10-Y46 HydrophobicContact CG1-CD2 3.82Å; V10-Y46 HydrophobicContact CG1-CE2 3.65Å; V10-Y46 HydrophobicContact CG2-CE2 4.49Å; D30-Y46 HydrophobicContact CB-CD1 3.89Å; D30-Y46 PolarHBondContact O-N 3.01Å; D30-Y46 WeakPolarHBondContact OD2-CD1 3.36Å; Y46-M48 PolarHBondContact O-N 2.96Å; Y46-M48 VanDerWaalsContact O-N 3.12Å; Y46-V831 WeakPolarHBondContact O-CG2 3.46Å
47K92.8Very high94.3Very high99 Ų9946.9 Ų46.943%0.4324%0.244SC..THydrogen-bonded Turntrans-76.619.1169.6-66.6-179.4167.5164.10113.8V10 R45 T49V10-K47 HydrophobicContact CG1-CG 4.05Å; R45-K47 PolarHBondContact O-N 3.49Å; R45-K47 VanDerWaalsContact O-N 3.15Å; K47-T49 PolarHBondContact O-N 2.85Å; K47-T49 VanDerWaalsContact O-N 3.1Å
48M92.9Very high94.3Very high0 Ų049.5 Ų49.50%026%0.258CS..  trans51.635.9-178.3-63.8-66.1156.600114.5E11 R13 I32 H44 R45 Y46 F820 V831E11-M48 HydrophobicContact CG-CB 4.39Å; E11-M48 HydrophobicContact CG-CG 4.42Å; R13-M48 HydrophobicContact CB-CB 4.28Å; R13-M48 HydrophobicContact CB-CG 4.4Å; R13-M48 HydrophobicContact CG-CB 4.43Å; R13-M48 PolarHBondContact NH1-O 2.88Å; R13-M48 VanDerWaalsContact NH1-O 3.12Å; I32-M48 HydrophobicContact CD1-CE 4.36Å; I32-M48 HydrophobicContact CG2-CE 3.93Å; I32-M48 HydrophobicContact CG2-SD 4.3Å; H44-M48 HydrophobicContact CB-SD 4.4Å; R45-M48 VanDerWaalsContact O-CA 3.29Å; R45-M48 WeakPolarHBondContact O-CA 3.34Å; R45-M48 PolarHBondContact O-N 2.89Å; Y46-M48 PolarHBondContact O-N 2.96Å; Y46-M48 VanDerWaalsContact O-N 3.12Å; M48-F820 HydrophobicContact CE-CD2 3.25Å; M48-F820 HydrophobicContact CE-CE2 3.24Å; M48-F820 HydrophobicContact SD-CE2 4.21Å; M48-V831 HydrophobicContact CE-CG2 3.16Å; M48-V831 HydrophobicContact CG-CG2 4.11Å
49T93.5Very high94.4Very high77 Ų7747.7 Ų47.747%0.47225%0.245SC..  trans-88117.2171-56.30000108.7H44 R45 K47 I51H44-T49 CarbonylContact C-O 3.59Å; H44-T49 VanDerWaalsContact CA-O 3.23Å; H44-T49 WeakPolarHBondContact CA-O 3.27Å; R45-T49 PolarHBondContact N-O 3.13Å; K47-T49 PolarHBondContact O-N 2.85Å; K47-T49 VanDerWaalsContact O-N 3.1Å; T49-I51 PolarHBondContact O-N 3.3Å
50C93.7Very high94.4Very high58 Ų5848.9 Ų48.939%0.39226%0.257SS..EExtended strand (participates in β ladder)trans-65.9126.4179.2-170.50000110.7H44 W52H44-C50 VanDerWaalsContact ND1-CA 3.34Å; H44-C50 WeakPolarHBondContact ND1-CA 3.4Å; H44-C50 PolarHBondContact ND1-N 2.82Å; C50-W52 PolarHBondContact SG-O 2.84Å
51I95Very high94.4Very high72 Ų7250.5 Ų50.537%0.36927%0.269SS..EExtended strand (participates in β ladder)trans-88.2-49174.1-57.8-174.4000109.4L31 V43 R45 T49L31-I51 HydrophobicContact CD1-CD1 4.22Å; L31-I51 HydrophobicContact CD2-CD1 3.3Å; L31-I51 HydrophobicContact CG-CD1 4.37Å; V43-I51 HydrophobicContact CG1-CD1 4.31Å; V43-I51 WeakPolarHBondContact O-CB 2.95Å; V43-I51 PolarHBondContact O-N 3.1Å; R45-I51 HydrophobicContact CG-CD1 3.92Å; R45-I51 HydrophobicContact CG-CG1 4.16Å; T49-I51 PolarHBondContact O-N 3.3Å
52W95.8Very high94.4Very high21 Ų2150.7 Ų50.78%0.0827%0.269CS..EExtended strand (participates in β ladder)trans-155.3158.9175.556.8-103000110.4V41 S42 V43 C50 C54 L74 F86 V88V41-W52 HydrophobicContact CG1-CH2 4.18Å; V41-W52 HydrophobicContact CG1-CZ3 4.18Å; S42-W52 WeakPolarHBondContact CA-O 3.13Å; S42-W52 WeakPolarHBondContact CB-O 3.36Å; V43-W52 HydrophobicContact CB-CD2 4.3Å; V43-W52 HydrophobicContact CB-CZ2 3.92Å; V43-W52 HydrophobicContact CG2-CD2 4.43Å; V43-W52 HydrophobicContact CG2-CH2 3.73Å; V43-W52 HydrophobicContact CG2-CZ2 3.22Å; V43-W52 HydrophobicContact CG2-CZ3 4.48Å; V43-W52 PolarHBondContact N-O 3.25Å; C50-W52 PolarHBondContact SG-O 2.84Å; W52-C54 HydrophobicContact CE3-CB 4.3Å; W52-C54 HydrophobicContact CZ3-CB 4.08Å; W52-L74 HydrophobicContact CH2-CD2 3.94Å; W52-L74 HydrophobicContact CZ2-CD2 4.25Å; W52-F86 HydrophobicContact CH2-CB 4.08Å; W52-F86 AromaticContact CH2-CD1 3.97Å; W52-F86 HydrophobicContact CH2-CD1 3.97Å; W52-F86 HydrophobicContact CH2-CG 4.13Å; W52-F86 HydrophobicContact CZ2-CB 4.37Å; W52-F86 HydrophobicContact CZ3-CD1 4.22Å; W52-V88 PolarHBondContact NE1-O 3.06Å
53E94.7Very high94.3Very high89 Ų8951.9 Ų51.942%0.41628%0.278SS..EExtended strand (participates in β ladder)trans-137.5131.6179.2-173176.8175.200107.3K17 C40K17-E53 IonicContact NZ-OE1 3.29Å; K17-E53 IonicContact NZ-OE2 3.5Å; K17-E53 PolarHBondContact NZ-OE2 3.16Å; C40-E53 WeakPolarHBondContact SG-CG 3.3Å; C40-E53 PolarHBondContact SG-OE1 3.38Å
54C94.6Very high94.2Very high28 Ų2853.7 Ų53.719%0.18929%0.288CS..EExtended strand (participates in β ladder)trans-126.6116.9179.3-174.40000109.2C40 V41 W52 F86C40-C54 WeakPolarHBondContact CA-O 3.18Å; V41-C54 PolarHBondContact N-O 3.42Å; V41-C54 PolarHBondContact O-N 3.41Å; W52-C54 HydrophobicContact CE3-CB 4.3Å; W52-C54 HydrophobicContact CZ3-CB 4.08Å; C54-F86 HydrophobicContact CB-CE1 4.07Å
55D94.1Very high94.3Very high105 Ų10553.8 Ų53.856%0.56129%0.289SS*.EExtended strand (participates in β ladder)trans-85.9121.9176.3-173.45.6000110.5S57D55-S57 VanDerWaalsContact OD1-CB 3.22Å; D55-S57 WeakPolarHBondContact OD1-CB 3.33Å; D55-S57 PolarHBondContact OD1-N 2.9Å; D55-S57 PolarHBondContact OD1-OG 3.17Å; D55-S57 VanDerWaalsContact OD1-OG 3.06Å
56K93.6Very high94.4Very high40 Ų4047.3 Ų47.317%0.17427%0.265CS..  trans-127.838.7175.6-72-72.5-171159.60110.4G39 D58 L59 F78 E96G39-K56 WeakPolarHBondContact O-CB 3.16Å; G39-K56 PolarHBondContact O-N 3.09Å; K56-D58 PolarHBondContact O-N 3.08Å; K56-D58 VanDerWaalsContact O-N 3.14Å; K56-L59 HydrophobicContact CB-CD1 4.23Å; K56-L59 HydrophobicContact CB-CG 4.38Å; K56-L59 HydrophobicContact CD-CD1 4.12Å; K56-L59 WeakPolarHBondContact O-CB 3.45Å; K56-L59 PolarHBondContact O-N 2.76Å; K56-F78 HydrophobicContact CB-CE1 3.63Å; K56-F78 HydrophobicContact CB-CZ 3.71Å; K56-F78 HydrophobicContact CG-CE1 4.44Å; K56-F78 HydrophobicContact CG-CZ 4.03Å; K56-E96 IonicContact NZ-OE1 2.83Å; K56-E96 PolarHBondContact NZ-OE1 3.16Å
57S91.7Very high94.5Very high68 Ų6845.8 Ų45.848%0.47626%0.258SS..G310 helixtrans-56.4-25.1179.949.30000114.4S38 D55 L59 G60S38-S57 WeakPolarHBondContact O-CA 3.26Å; S38-S57 WeakPolarHBondContact O-CB 3.05Å; D55-S57 VanDerWaalsContact OD1-CB 3.22Å; D55-S57 WeakPolarHBondContact OD1-CB 3.33Å; D55-S57 PolarHBondContact OD1-N 2.9Å; D55-S57 PolarHBondContact OD1-OG 3.17Å; D55-S57 VanDerWaalsContact OD1-OG 3.06Å; S57-L59 PolarHBondContact O-N 3.4Å; S57-G60 PolarHBondContact O-N 3.34Å
58D94.8Very high94.6Very high123 Ų12341.5 Ų41.566%0.65824%0.24SC*.G310 helixtrans-62.1-23.1172.266.3-57.3000113.6K56K56-D58 PolarHBondContact O-N 3.08Å; K56-D58 VanDerWaalsContact O-N 3.14Å
59L94.6Very high94.5Very high8 Ų843.1 Ų43.14%0.04225%0.25CS..G310 helixtrans-94.7-5179.8-54-172.3000113.4K56 S57 F78 S80 K82K56-L59 HydrophobicContact CB-CD1 4.23Å; K56-L59 HydrophobicContact CB-CG 4.38Å; K56-L59 HydrophobicContact CD-CD1 4.12Å; K56-L59 WeakPolarHBondContact O-CB 3.45Å; K56-L59 PolarHBondContact O-N 2.76Å; S57-L59 PolarHBondContact O-N 3.4Å; L59-F78 HydrophobicContact CB-CB 3.82Å; L59-F78 HydrophobicContact CB-CD1 3.9Å; L59-F78 HydrophobicContact CB-CD2 4.2Å; L59-F78 HydrophobicContact CB-CG 3.7Å; L59-F78 HydrophobicContact CD1-CD2 3.76Å; L59-F78 HydrophobicContact CD1-CE2 3.89Å; L59-F78 HydrophobicContact CD1-CG 4.14Å; L59-F78 HydrophobicContact CD1-CZ 4.35Å; L59-F78 WeakPolarHBondContact O-CB 3.49Å; L59-S80 WeakPolarHBondContact O-CB 3.23Å; L59-S80 PolarHBondContact O-N 2.94Å; L59-S80 PolarHBondContact O-OG 2.77Å; L59-K82 HydrophobicContact CD1-CB 4.13Å; L59-K82 HydrophobicContact CD1-CD 4.03Å; L59-K82 HydrophobicContact CD2-CD 3.58Å; L59-K82 HydrophobicContact CD2-CG 4.38Å; L59-K82 HydrophobicContact CG-CD 4.44Å
60G94.1Very high94.3Very high25 Ų2540.9 Ų40.926%0.25824%0.235SC..  trans79.8-165.3-176.200000114G39 S57 S79G39-G60 WeakPolarHBondContact CA-O 3.34Å; S57-G60 PolarHBondContact O-N 3.34Å; G60-S79 WeakPolarHBondContact CA-OG 3.37Å
61S95.4Very high94.3Very high40 Ų4038.5 Ų38.528%0.2822%0.221SC..SBendtrans-60142.9-176.5176.90000113.2D37 S63 F78 S79D37-S61 WeakPolarHBondContact CA-OG 3.5Å; D37-S61 WeakPolarHBondContact O-CA 2.9Å; D37-S61 WeakPolarHBondContact O-CB 3.37Å; S61-S63 PolarHBondContact O-N 2.76Å; S61-F78 CarbonylContact O-C 3.59Å; S61-F78 WeakPolarHBondContact O-CA 3.34Å; S61-S79 PolarHBondContact N-OG 3Å; S61-S79 VanDerWaalsContact N-OG 3.08Å; S61-S79 PolarHBondContact O-N 3.28Å; S61-S79 PolarHBondContact O-OG 3.22Å
62V96.3Very high94.1Very high3 Ų339 Ų392%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-69.1122.9171.9-179.10000109.8V21 A22 S36 V41 L65 S77 F78V21-V62 HydrophobicContact CG2-CB 4.3Å; V21-V62 WeakPolarHBondContact CG2-O 3.28Å; A22-V62 HydrophobicContact CB-CG1 4.28Å; S36-V62 PolarHBondContact O-N 3.23Å; S36-V62 VanDerWaalsContact O-N 3.15Å; V41-V62 HydrophobicContact CG2-CG2 3.77Å; V62-L65 HydrophobicContact CG1-CD2 4.04Å; V62-L65 HydrophobicContact CG1-CG 4.16Å; V62-S77 CarbonylContact C-O 3.55Å; V62-S77 WeakPolarHBondContact CA-O 3.43Å; V62-F78 HydrophobicContact CG2-CD1 4.15Å; V62-F78 HydrophobicContact CG2-CE1 3.86Å
63S93.9Very high94.1Very high38 Ų3838 Ų3827%0.26622%0.216SC..EExtended strand (participates in β ladder)trans-92-47.7179.753.20000113S61 S77S61-S63 PolarHBondContact O-N 2.76Å; S63-S77 PolarHBondContact N-O 3.09Å; S63-S77 VanDerWaalsContact OG-C 3.28Å; S63-S77 WeakPolarHBondContact OG-CB 3.14Å; S63-S77 PolarHBondContact OG-O 3.42Å; S63-S77 PolarHBondContact OG-OG 2.87Å
64N94.8Very high94.2Very high39 Ų3933.8 Ų33.821%0.20920%0.197CC..EExtended strand (participates in β ladder)trans-141.6155.1177.3-48102.1000112A76 S77 I103 L106N64-A76 WeakPolarHBondContact O-CA 3.42Å; N64-S77 WeakPolarHBondContact CA-OG 3.3Å; N64-S77 VanDerWaalsContact CB-OG 3.31Å; N64-S77 WeakPolarHBondContact CB-OG 3.09Å; N64-S77 PolarHBondContact N-OG 2.6Å; N64-S77 PolarHBondContact O-N 3.18Å; N64-S77 PolarHBondContact O-OG 3.24Å; N64-S77 PolarHBondContact OD1-OG 2.85Å; N64-I103 PolarHBondContact OD1-O 3.04Å; N64-L106 HydrophobicContact CB-CB 3.8Å; N64-L106 HydrophobicContact CB-CD2 4.36Å
65L96.5Very high94.4Very high15 Ų1532.4 Ų32.48%0.07919%0.188CC..EExtended strand (participates in β ladder)trans-125.1143171.7-66.6170.9000109.3A22 L24 A33 V41 V62 L74 T75 A76A22-L65 HydrophobicContact CB-CD1 3.75Å; A22-L65 HydrophobicContact CB-CG 3.89Å; L24-L65 HydrophobicContact CB-CB 4.45Å; L24-L65 WeakPolarHBondContact CD2-O 3.15Å; A33-L65 HydrophobicContact CB-CD1 4.06Å; V41-L65 HydrophobicContact CG1-CD2 4.24Å; V62-L65 HydrophobicContact CG1-CD2 4.04Å; V62-L65 HydrophobicContact CG1-CG 4.16Å; L65-L74 HydrophobicContact CD2-CD1 4.49Å; L65-T75 CarbonylContact C-O 3.57Å; L65-T75 WeakPolarHBondContact CA-O 3.33Å; L65-A76 HydrophobicContact CD2-CB 3.53Å
66T96.4Very high94.6Very high4 Ų427.4 Ų27.43%0.02516%0.161CC..EExtended strand (participates in β ladder)trans-149.7141.2171.7-171.50000111.3T75 L106 W108 L174T66-T75 PolarHBondContact N-O 3.46Å; T66-T75 PolarHBondContact O-N 2.76Å; T66-L106 HydrophobicContact CG2-CB 4.41Å; T66-L106 HydrophobicContact CG2-CD2 3.69Å; T66-L106 HydrophobicContact CG2-CG 3.54Å; T66-W108 HydrophobicContact CG2-CG 4.31Å; T66-W108 PolarHBondContact OG1-N 3.41Å; T66-W108 VanDerWaalsContact OG1-N 3.07Å; T66-L174 HydrophobicContact CG2-CD1 4.06Å
67W96.4Very high94.8Very high9 Ų925.5 Ų25.53%0.03415%0.153CC..EExtended strand (participates in β ladder)trans-96.8134.7176.9-69.791.7000110.1L24 W25 P27 L31 A33 V43 L74 V88 W108L24-W67 PolarHBondContact O-NE1 3.32Å; W25-W67 PolarHBondContact O-NE1 3.06Å; P27-W67 VanDerWaalsContact CD-CB 3.49Å; P27-W67 HydrophobicContact CG-CB 4.25Å; L31-W67 HydrophobicContact CB-CH2 4.12Å; L31-W67 HydrophobicContact CB-CZ2 4.46Å; L31-W67 HydrophobicContact CD1-CH2 4.49Å; A33-W67 HydrophobicContact CB-CZ2 3.6Å; V43-W67 HydrophobicContact CG1-CH2 4.02Å; V43-W67 HydrophobicContact CG1-CZ2 4.47Å; V43-W67 HydrophobicContact CG2-CH2 4.03Å; V43-W67 HydrophobicContact CG2-CZ2 4.24Å; W67-L74 HydrophobicContact CD2-CD1 3.92Å; W67-L74 HydrophobicContact CE3-CB 4.29Å; W67-L74 HydrophobicContact CG-CD1 4.18Å; W67-L74 HydrophobicContact CZ2-CD1 4.26Å; W67-L74 HydrophobicContact CZ3-CB 4.41Å; W67-V88 HydrophobicContact CE3-CG2 3.87Å; W67-V88 HydrophobicContact CH2-CG1 3.96Å; W67-V88 HydrophobicContact CH2-CG2 4.09Å; W67-V88 HydrophobicContact CZ3-CB 4.06Å; W67-V88 HydrophobicContact CZ3-CG1 3.61Å; W67-V88 HydrophobicContact CZ3-CG2 3.24Å; W67-W108 VanDerWaalsContact C-CD1 3.49Å; W67-W108 VanDerWaalsContact O-CB 3.26Å; W67-W108 WeakPolarHBondContact O-CB 3.33Å
68R94.2Very high95Very high9 Ų922.3 Ų22.33%0.03413%0.13CC..  trans-59143.8165.4-168.9171.778.8176.43.9108.3D70 G71 I73 W108 P172R68-D70 WeakPolarHBondContact CB-OD1 3.33Å; R68-D70 WeakPolarHBondContact CG-OD1 3.11Å; R68-D70 IonicContact CZ-OD1 3.84Å; R68-D70 IonicContact CZ-OD2 3.98Å; R68-D70 VanDerWaalsContact CZ-OD2 3.23Å; R68-D70 VanDerWaalsContact NE-CG 3.26Å; R68-D70 IonicContact NE-OD1 3.94Å; R68-D70 PolarHBondContact NE-OD1 3.28Å; R68-D70 IonicContact NE-OD2 3.05Å; R68-D70 PolarHBondContact NE-OD2 3.43Å; R68-D70 VanDerWaalsContact NE-OD2 3.12Å; R68-D70 IonicContact NH2-OD1 2.77Å; R68-D70 IonicContact NH2-OD2 3.76Å; R68-D70 PolarHBondContact NH2-OD2 3.4Å; R68-D70 PolarHBondContact O-N 3.21Å; R68-G71 PolarHBondContact O-N 2.84Å; R68-I73 HydrophobicContact CB-CB 3.87Å; R68-I73 VanDerWaalsContact CZ-CG1 3.46Å; R68-I73 PolarHBondContact N-O 2.91Å; R68-W108 HydrophobicContact CB-CD2 4.24Å; R68-W108 HydrophobicContact CB-CG 4.28Å; R68-W108 HydrophobicContact CG-CD2 4.22Å; R68-W108 HydrophobicContact CG-CE3 4.27Å; R68-W108 HydrophobicContact CG-CZ3 4.49Å; R68-P172 HydrophobicContact CG-CB 4.06Å
69P91Very high95.1Very high35 Ų3519.2 Ų19.223%0.22712%0.118CC..THydrogen-bonded Turntrans-67-15.5-167-25.240.4000113.4K28 G71 W108 N110K28-P69 WeakPolarHBondContact CE-O 3.43Å; P69-G71 VanDerWaalsContact C-N 3.31Å; P69-W108 HydrophobicContact CG-CB 4.26Å; P69-N110 HydrophobicContact CB-CB 3.96Å; P69-N110 HydrophobicContact CG-CB 3.9Å
70D89.4Confident95.1Very high30 Ų3021.1 Ų21.116%0.1613%0.132CC..THydrogen-bonded Turntrans-81.8-5.2172.672.9-17.8000114.7K28 R68 K72K28-D70 WeakPolarHBondContact CD-O 2.96Å; R68-D70 WeakPolarHBondContact CB-OD1 3.33Å; R68-D70 WeakPolarHBondContact CG-OD1 3.11Å; R68-D70 IonicContact CZ-OD1 3.84Å; R68-D70 IonicContact CZ-OD2 3.98Å; R68-D70 VanDerWaalsContact CZ-OD2 3.23Å; R68-D70 VanDerWaalsContact NE-CG 3.26Å; R68-D70 IonicContact NE-OD1 3.94Å; R68-D70 PolarHBondContact NE-OD1 3.28Å; R68-D70 IonicContact NE-OD2 3.05Å; R68-D70 PolarHBondContact NE-OD2 3.43Å; R68-D70 VanDerWaalsContact NE-OD2 3.12Å; R68-D70 IonicContact NH2-OD1 2.77Å; R68-D70 IonicContact NH2-OD2 3.76Å; R68-D70 PolarHBondContact NH2-OD2 3.4Å; R68-D70 PolarHBondContact O-N 3.21Å; D70-K72 PolarHBondContact O-N 3.47Å; D70-K72 PolarHBondContact OD1-N 3.13Å; D70-K72 VanDerWaalsContact OD1-N 3.12Å; D70-K72 WeakPolarHBondContact OD2-CD 3.32Å
71G92Very high95.1Very high8 Ų820 Ų208%0.08212%0.12CC..SBendtrans72.17.2179.600000114.9R68 P69R68-G71 PolarHBondContact O-N 2.84Å; P69-G71 VanDerWaalsContact C-N 3.31Å
72K92.6Very high95.2Very high81 Ų8120.9 Ų20.935%0.35212%0.119SC..SBendtrans-92-23-176-62.7-174.3-176.9171.40113.8D70 V88 D165D70-K72 PolarHBondContact O-N 3.47Å; D70-K72 PolarHBondContact OD1-N 3.13Å; D70-K72 VanDerWaalsContact OD1-N 3.12Å; D70-K72 WeakPolarHBondContact OD2-CD 3.32Å; K72-V88 WeakPolarHBondContact O-CB 3.34Å; K72-V88 WeakPolarHBondContact O-CG2 3.33Å; K72-V88 PolarHBondContact O-N 2.93Å; K72-V88 VanDerWaalsContact O-N 3.08Å; K72-D165 HydrophobicContact CD-CB 4.44Å; K72-D165 WeakPolarHBondContact CD-OD2 3.49Å; K72-D165 VanDerWaalsContact NZ-CG 3.3Å; K72-D165 IonicContact NZ-OD1 3.31Å; K72-D165 PolarHBondContact NZ-OD1 3.01Å; K72-D165 IonicContact NZ-OD2 3.79Å
73I95.2Very high95.3Very high1 Ų120.7 Ų20.71%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-125.1131.4-178.1-53.6-62.4000109.4R68 F85 F86 V87 F94 L162R68-I73 HydrophobicContact CB-CB 3.87Å; R68-I73 VanDerWaalsContact CZ-CG1 3.46Å; R68-I73 PolarHBondContact N-O 2.91Å; I73-F85 HydrophobicContact CG2-CB 4.29Å; I73-F85 HydrophobicContact CG2-CD1 4.31Å; I73-F86 WeakPolarHBondContact CA-O 3.46Å; I73-V87 HydrophobicContact CD1-CG2 4.25Å; I73-F94 HydrophobicContact CD1-CD1 4.42Å; I73-F94 HydrophobicContact CD1-CE1 3.68Å; I73-F94 HydrophobicContact CD1-CZ 4.31Å; I73-F94 HydrophobicContact CG1-CE1 4.38Å; I73-F94 HydrophobicContact CG2-CE1 3.92Å; I73-F94 HydrophobicContact CG2-CZ 4.39Å; I73-L162 HydrophobicContact CD1-CD2 3.56Å
74L97.6Very high95.5Very high0 Ų018.9 Ų18.90%011%0.105CC..EExtended strand (participates in β ladder)trans-105.9137.1168.8173.168.7000108A33 V41 V43 W52 L65 W67 F86 V88A33-L74 HydrophobicContact CB-CD1 3.61Å; A33-L74 HydrophobicContact CB-CD2 3.65Å; A33-L74 HydrophobicContact CB-CG 4.31Å; V41-L74 HydrophobicContact CG1-CD2 3.99Å; V43-L74 HydrophobicContact CG2-CD2 3.77Å; W52-L74 HydrophobicContact CH2-CD2 3.94Å; W52-L74 HydrophobicContact CZ2-CD2 4.25Å; L65-L74 HydrophobicContact CD2-CD1 4.49Å; W67-L74 HydrophobicContact CD2-CD1 3.92Å; W67-L74 HydrophobicContact CE3-CB 4.29Å; W67-L74 HydrophobicContact CG-CD1 4.18Å; W67-L74 HydrophobicContact CZ2-CD1 4.26Å; W67-L74 HydrophobicContact CZ3-CB 4.41Å; L74-F86 HydrophobicContact CB-CB 4.29Å; L74-F86 PolarHBondContact N-O 3.31Å; L74-F86 PolarHBondContact O-N 2.63Å; L74-V88 HydrophobicContact CB-CG2 4.12Å
75T98Very high95.6Very high0 Ų017.1 Ų17.10%010%0.096CC..EExtended strand (participates in β ladder)trans-118.2129.6175-55.30000109L65 T66 V83 C84 F85 L106 W108L65-T75 CarbonylContact C-O 3.57Å; L65-T75 WeakPolarHBondContact CA-O 3.33Å; T66-T75 PolarHBondContact N-O 3.46Å; T66-T75 PolarHBondContact O-N 2.76Å; T75-V83 HydrophobicContact CG2-CG1 3.24Å; T75-C84 WeakPolarHBondContact CA-O 3.45Å; T75-F85 HydrophobicContact CG2-CD1 4.21Å; T75-F85 HydrophobicContact CG2-CD2 4.31Å; T75-F85 HydrophobicContact CG2-CE1 4.14Å; T75-F85 HydrophobicContact CG2-CE2 4.21Å; T75-F85 HydrophobicContact CG2-CG 4.3Å; T75-F85 HydrophobicContact CG2-CZ 4.14Å; T75-F85 WeakPolarHBondContact OG1-CD1 3.47Å; T75-L106 HydrophobicContact CG2-CD2 4Å; T75-W108 PolarHBondContact OG1-NE1 3.48Å
76A97.8Very high95.6Very high0 Ų016.4 Ų16.40%09%0.092CC..EExtended strand (participates in β ladder)trans-119.8139.2175.400000110V41 N64 L65 F78 V83 C84 F86V41-A76 HydrophobicContact CG2-CB 3.9Å; N64-A76 WeakPolarHBondContact O-CA 3.42Å; L65-A76 HydrophobicContact CD2-CB 3.53Å; A76-F78 HydrophobicContact CB-CE2 4.29Å; A76-F78 HydrophobicContact CB-CZ 4.27Å; A76-V83 CarbonylContact O-C 3.53Å; A76-V83 VanDerWaalsContact O-CA 3.29Å; A76-V83 WeakPolarHBondContact O-CA 3.24Å; A76-C84 PolarHBondContact N-O 3Å; A76-C84 PolarHBondContact O-N 2.77Å; A76-F86 HydrophobicContact CB-CD2 4.45Å; A76-F86 HydrophobicContact CB-CE2 3.69Å; A76-F86 HydrophobicContact CB-CZ 4.49Å
77S97.5Very high95.5Very high0 Ų017 Ų170%010%0.096CC..EExtended strand (participates in β ladder)trans-108.2150.7170.354.90000110.4V62 S63 N64 K82V62-S77 CarbonylContact C-O 3.55Å; V62-S77 WeakPolarHBondContact CA-O 3.43Å; S63-S77 PolarHBondContact N-O 3.09Å; S63-S77 VanDerWaalsContact OG-C 3.28Å; S63-S77 WeakPolarHBondContact OG-CB 3.14Å; S63-S77 PolarHBondContact OG-O 3.42Å; S63-S77 PolarHBondContact OG-OG 2.87Å; N64-S77 WeakPolarHBondContact CA-OG 3.3Å; N64-S77 VanDerWaalsContact CB-OG 3.31Å; N64-S77 WeakPolarHBondContact CB-OG 3.09Å; N64-S77 PolarHBondContact N-OG 2.6Å; N64-S77 PolarHBondContact O-N 3.18Å; N64-S77 PolarHBondContact O-OG 3.24Å; N64-S77 PolarHBondContact OD1-OG 2.85Å; S77-K82 CarbonylContact C-O 3.58Å; S77-K82 WeakPolarHBondContact CA-O 3.28Å
78F97.4Very high95.3Very high0 Ų017.2 Ų17.20%010%0.098CC..EExtended strand (participates in β ladder)trans-122.3157.9-176.4-58.8-90.5000111V41 K56 L59 S61 V62 A76 S80 G81 K82 C84 F86V41-F78 HydrophobicContact CG2-CE1 4.18Å; V41-F78 HydrophobicContact CG2-CZ 4.01Å; K56-F78 HydrophobicContact CB-CE1 3.63Å; K56-F78 HydrophobicContact CB-CZ 3.71Å; K56-F78 HydrophobicContact CG-CE1 4.44Å; K56-F78 HydrophobicContact CG-CZ 4.03Å; L59-F78 HydrophobicContact CB-CB 3.82Å; L59-F78 HydrophobicContact CB-CD1 3.9Å; L59-F78 HydrophobicContact CB-CD2 4.2Å; L59-F78 HydrophobicContact CB-CG 3.7Å; L59-F78 HydrophobicContact CD1-CD2 3.76Å; L59-F78 HydrophobicContact CD1-CE2 3.89Å; L59-F78 HydrophobicContact CD1-CG 4.14Å; L59-F78 HydrophobicContact CD1-CZ 4.35Å; L59-F78 WeakPolarHBondContact O-CB 3.49Å; S61-F78 CarbonylContact O-C 3.59Å; S61-F78 WeakPolarHBondContact O-CA 3.34Å; V62-F78 HydrophobicContact CG2-CD1 4.15Å; V62-F78 HydrophobicContact CG2-CE1 3.86Å; A76-F78 HydrophobicContact CB-CE2 4.29Å; A76-F78 HydrophobicContact CB-CZ 4.27Å; F78-S80 PolarHBondContact O-N 2.78Å; F78-S80 VanDerWaalsContact O-N 3.11Å; F78-G81 PolarHBondContact O-N 3.07Å; F78-K82 HydrophobicContact CD2-CB 4.47Å; F78-K82 PolarHBondContact N-O 3.17Å; F78-C84 HydrophobicContact CE2-CB 3.93Å; F78-F86 HydrophobicContact CZ-CZ 4.4Å
79S95.4Very high95Very high58 Ų5819.8 Ų19.841%0.40613%0.127SC..THydrogen-bonded Turntrans-55.7-25.917656.40000113.9G60 S61 G81G60-S79 WeakPolarHBondContact CA-OG 3.37Å; S61-S79 PolarHBondContact N-OG 3Å; S61-S79 VanDerWaalsContact N-OG 3.08Å; S61-S79 PolarHBondContact O-N 3.28Å; S61-S79 PolarHBondContact O-OG 3.22Å; S79-G81 PolarHBondContact O-N 3.31Å
80S95.4Very high94.9Very high49 Ų4921.3 Ų21.334%0.34313%0.133SC..THydrogen-bonded Turntrans-68.3-5.417156.70000115.4L59 F78 K82 Q98L59-S80 WeakPolarHBondContact O-CB 3.23Å; L59-S80 PolarHBondContact O-N 2.94Å; L59-S80 PolarHBondContact O-OG 2.77Å; F78-S80 PolarHBondContact O-N 2.78Å; F78-S80 VanDerWaalsContact O-N 3.11Å; S80-K82 VanDerWaalsContact C-N 3.26Å; S80-K82 PolarHBondContact O-N 3.17Å; S80-Q98 PolarHBondContact O-NE2 3.11Å; S80-Q98 VanDerWaalsContact O-NE2 3.14Å
81G95.1Very high95Very high0 Ų020.3 Ų20.30%013%0.13CC..SBendtrans79.35.4-173.700000114F78 S79 F99 S101F78-G81 PolarHBondContact O-N 3.07Å; S79-G81 PolarHBondContact O-N 3.31Å; G81-F99 WeakPolarHBondContact O-CB 3.47Å; G81-F99 PolarHBondContact O-N 3.07Å; G81-S101 WeakPolarHBondContact CA-O 3.46Å
82K97Very high95Very high59 Ų5921.3 Ų21.326%0.25713%0.132SC..EExtended strand (participates in β ladder)trans-78.3146.6169.8-75.3-158.7-164.51730111.7L59 S77 F78 S80 L97L59-K82 HydrophobicContact CD1-CB 4.13Å; L59-K82 HydrophobicContact CD1-CD 4.03Å; L59-K82 HydrophobicContact CD2-CD 3.58Å; L59-K82 HydrophobicContact CD2-CG 4.38Å; L59-K82 HydrophobicContact CG-CD 4.44Å; S77-K82 CarbonylContact C-O 3.58Å; S77-K82 WeakPolarHBondContact CA-O 3.28Å; F78-K82 HydrophobicContact CD2-CB 4.47Å; F78-K82 PolarHBondContact N-O 3.17Å; S80-K82 VanDerWaalsContact C-N 3.26Å; S80-K82 PolarHBondContact O-N 3.17Å; K82-L97 CarbonylContact C-O 3.57Å; K82-L97 WeakPolarHBondContact CA-O 3.25Å
83V97.7Very high95.1Very high0 Ų019 Ų190%013%0.125CC..EExtended strand (participates in β ladder)trans-126.3120.2172.9-177.10000108.3T75 A76 F85 E96 L97 F99 I103 L106T75-V83 HydrophobicContact CG2-CG1 3.24Å; A76-V83 CarbonylContact O-C 3.53Å; A76-V83 VanDerWaalsContact O-CA 3.29Å; A76-V83 WeakPolarHBondContact O-CA 3.24Å; V83-F85 HydrophobicContact CG1-CE2 4.02Å; V83-E96 CarbonylContact O-C 3.58Å; V83-E96 WeakPolarHBondContact O-CA 3.5Å; V83-L97 HydrophobicContact CB-CB 4.26Å; V83-L97 PolarHBondContact N-O 3.35Å; V83-L97 PolarHBondContact O-N 2.78Å; V83-F99 HydrophobicContact CB-CE2 4.49Å; V83-F99 HydrophobicContact CG2-CD2 3.87Å; V83-F99 HydrophobicContact CG2-CE2 3.75Å; V83-I103 HydrophobicContact CG2-CD1 4.34Å; V83-I103 HydrophobicContact CG2-CG1 3.82Å; V83-L106 HydrophobicContact CG1-CD1 4.44Å; V83-L106 HydrophobicContact CG1-CD2 4.4Å
84C97.7Very high94.9Very high0 Ų019.6 Ų19.60%013%0.128CC..EExtended strand (participates in β ladder)trans-108.3142.5-179.6-64.40000111T75 A76 F78 F86 V93 E96T75-C84 WeakPolarHBondContact CA-O 3.45Å; A76-C84 PolarHBondContact N-O 3Å; A76-C84 PolarHBondContact O-N 2.77Å; F78-C84 HydrophobicContact CE2-CB 3.93Å; C84-F86 HydrophobicContact CB-CD2 4.36Å; C84-F86 HydrophobicContact CB-CE2 3.51Å; C84-F86 HydrophobicContact CB-CZ 3.75Å; C84-F86 WeakPolarHBondContact O-CE2 3.38Å; C84-V93 HydrophobicContact CB-CG1 3.97Å; C84-E96 PolarHBondContact SG-OE1 2.82Å
85F97.5Very high94.8Very high2 Ų220.6 Ų20.61%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-112.4114.8179.7-63.1-115.1000109.8I73 T75 V83 V93 F94 H95 L97 W108 L174I73-F85 HydrophobicContact CG2-CB 4.29Å; I73-F85 HydrophobicContact CG2-CD1 4.31Å; T75-F85 HydrophobicContact CG2-CD1 4.21Å; T75-F85 HydrophobicContact CG2-CD2 4.31Å; T75-F85 HydrophobicContact CG2-CE1 4.14Å; T75-F85 HydrophobicContact CG2-CE2 4.21Å; T75-F85 HydrophobicContact CG2-CG 4.3Å; T75-F85 HydrophobicContact CG2-CZ 4.14Å; T75-F85 WeakPolarHBondContact OG1-CD1 3.47Å; V83-F85 HydrophobicContact CG1-CE2 4.02Å; F85-V93 WeakPolarHBondContact O-CA 3.43Å; F85-F94 HydrophobicContact CB-CD1 4.06Å; F85-F94 HydrophobicContact CB-CE1 3.46Å; F85-F94 VanDerWaalsContact CB-CE1 3.46Å; F85-F94 HydrophobicContact CB-CZ 3.77Å; F85-F94 HydrophobicContact CD1-CZ 4.38Å; F85-F94 HydrophobicContact CG-CZ 4.39Å; F85-F94 VanDerWaalsContact O-CD1 3.31Å; F85-F94 WeakPolarHBondContact O-CD1 3.48Å; F85-F94 PolarHBondContact O-N 2.78Å; F85-F94 VanDerWaalsContact O-N 3.1Å; F85-H95 HydrophobicContact CB-CB 4.14Å; F85-H95 HydrophobicContact CD2-CB 4.09Å; F85-H95 AromaticContact CD2-CD2 3.83Å; F85-H95 WeakPolarHBondContact CD2-O 3.35Å; F85-H95 AromaticContact CE2-CD2 3.73Å; F85-H95 HydrophobicContact CG-CB 4.21Å; F85-H95 PolarHBondContact N-O 3.22Å; F85-L97 HydrophobicContact CE2-CD1 3.89Å; F85-L97 HydrophobicContact CE2-CG 3.92Å; F85-L97 HydrophobicContact CZ-CD1 3.84Å; F85-L97 HydrophobicContact CZ-CG 4.34Å; F85-W108 AromaticContact CD1-CZ2 3.95Å; F85-W108 HydrophobicContact CD1-CZ2 3.95Å; F85-W108 HydrophobicContact CE1-CH2 4.22Å; F85-W108 AromaticContact CE1-CZ2 3.53Å; F85-W108 HydrophobicContact CE1-CZ2 3.53Å; F85-L174 HydrophobicContact CE1-CD2 3.89Å; F85-L174 HydrophobicContact CZ-CD2 3.55Å
86F96.2Very high94.7Very high0 Ų024.3 Ų24.30%015%0.149CC..EExtended strand (participates in β ladder)trans-103133.1-174.1-58.3-99.6000110.6V41 W52 C54 I73 L74 A76 F78 C84 G91 F92 V93V41-F86 HydrophobicContact CB-CZ 4.41Å; V41-F86 HydrophobicContact CG2-CZ 4.27Å; W52-F86 HydrophobicContact CH2-CB 4.08Å; W52-F86 AromaticContact CH2-CD1 3.97Å; W52-F86 HydrophobicContact CH2-CD1 3.97Å; W52-F86 HydrophobicContact CH2-CG 4.13Å; W52-F86 HydrophobicContact CZ2-CB 4.37Å; W52-F86 HydrophobicContact CZ3-CD1 4.22Å; C54-F86 HydrophobicContact CB-CE1 4.07Å; I73-F86 WeakPolarHBondContact CA-O 3.46Å; L74-F86 HydrophobicContact CB-CB 4.29Å; L74-F86 PolarHBondContact N-O 3.31Å; L74-F86 PolarHBondContact O-N 2.63Å; A76-F86 HydrophobicContact CB-CD2 4.45Å; A76-F86 HydrophobicContact CB-CE2 3.69Å; A76-F86 HydrophobicContact CB-CZ 4.49Å; F78-F86 HydrophobicContact CZ-CZ 4.4Å; C84-F86 HydrophobicContact CB-CD2 4.36Å; C84-F86 HydrophobicContact CB-CE2 3.51Å; C84-F86 HydrophobicContact CB-CZ 3.75Å; C84-F86 WeakPolarHBondContact O-CE2 3.38Å; F86-G91 WeakPolarHBondContact CD1-O 3.35Å; F86-F92 CarbonylContact C-O 3.49Å; F86-F92 WeakPolarHBondContact CA-O 3.19Å; F86-V93 HydrophobicContact CD1-CG2 3.56Å; F86-V93 HydrophobicContact CE1-CG2 3.38Å; F86-V93 HydrophobicContact CG-CG2 4.3Å; F86-V93 HydrophobicContact CZ-CG2 4Å
87V94.2Very high94.6Very high16 Ų1625.3 Ų25.310%0.09716%0.155CC..EExtended strand (participates in β ladder)trans-74.8123.4164.9-178.20000108.2I73 G89 D90 G91 F92 F94 L162I73-V87 HydrophobicContact CD1-CG2 4.25Å; V87-G89 PolarHBondContact O-N 3.24Å; V87-D90 PolarHBondContact O-N 2.84Å; V87-G91 WeakPolarHBondContact O-CA 3.26Å; V87-G91 PolarHBondContact O-N 3.37Å; V87-F92 HydrophobicContact CB-CB 4.27Å; V87-F92 HydrophobicContact CG2-CB 4.41Å; V87-F92 HydrophobicContact CG2-CD1 4.04Å; V87-F92 PolarHBondContact N-O 2.89Å; V87-F94 HydrophobicContact CG2-CD1 3.96Å; V87-L162 HydrophobicContact CG2-CD1 4.35Å; V87-L162 HydrophobicContact CG2-CD2 4.21Å
88V92Very high94.5Very high14 Ų1430.7 Ų30.79%0.08518%0.18CC..THydrogen-bonded Turntrans-66.2-24.4-169.7170.40000112.9L31 W52 W67 K72 L74 D90L31-V88 HydrophobicContact CD1-CG1 3.77Å; W52-V88 PolarHBondContact NE1-O 3.06Å; W67-V88 HydrophobicContact CE3-CG2 3.87Å; W67-V88 HydrophobicContact CH2-CG1 3.96Å; W67-V88 HydrophobicContact CH2-CG2 4.09Å; W67-V88 HydrophobicContact CZ3-CB 4.06Å; W67-V88 HydrophobicContact CZ3-CG1 3.61Å; W67-V88 HydrophobicContact CZ3-CG2 3.24Å; K72-V88 WeakPolarHBondContact O-CB 3.34Å; K72-V88 WeakPolarHBondContact O-CG2 3.33Å; K72-V88 PolarHBondContact O-N 2.93Å; K72-V88 VanDerWaalsContact O-N 3.08Å; L74-V88 HydrophobicContact CB-CG2 4.12Å; V88-D90 VanDerWaalsContact C-N 3.31Å; V88-D90 PolarHBondContact O-N 3.11Å
89G87.5Confident94.3Very high63 Ų6331.1 Ų31.165%0.64918%0.182SC*.THydrogen-bonded Turntrans-61.7-35.2-178.700000114V87V87-G89 PolarHBondContact O-N 3.24Å
90D88.8Confident93.9Very high66 Ų6633.4 Ų33.435%0.35320%0.195SC..THydrogen-bonded Turntrans-149.40.1-170.567.6-13.3000115.2V87 V88 F92 K158V87-D90 PolarHBondContact O-N 2.84Å; V88-D90 VanDerWaalsContact C-N 3.31Å; V88-D90 PolarHBondContact O-N 3.11Å; D90-F92 WeakPolarHBondContact OD1-CB 3.5Å; D90-F92 PolarHBondContact OD1-N 2.92Å; D90-K158 VanDerWaalsContact OD2-CD 3.28Å; D90-K158 WeakPolarHBondContact OD2-CD 3.28Å; D90-K158 WeakPolarHBondContact OD2-CE 3.39Å; D90-K158 IonicContact OD2-NZ 3.01Å; D90-K158 PolarHBondContact OD2-NZ 3.29Å
91G92.6Very high93.7Very high9 Ų932.5 Ų32.59%0.09319%0.189CC..THydrogen-bonded Turntrans79.914.5-177.700000114.3F86 V87 V93F86-G91 WeakPolarHBondContact CD1-O 3.35Å; V87-G91 WeakPolarHBondContact O-CA 3.26Å; V87-G91 PolarHBondContact O-N 3.37Å; G91-V93 PolarHBondContact O-N 2.84Å
92F92Very high93.6Very high29 Ų2935.2 Ų35.213%0.12721%0.206CC..EExtended strand (participates in β ladder)trans-63.4122.3178176.2-105.7000112F86 V87 D90 F94 D155 K158 Y159F86-F92 CarbonylContact C-O 3.49Å; F86-F92 WeakPolarHBondContact CA-O 3.19Å; V87-F92 HydrophobicContact CB-CB 4.27Å; V87-F92 HydrophobicContact CG2-CB 4.41Å; V87-F92 HydrophobicContact CG2-CD1 4.04Å; V87-F92 PolarHBondContact N-O 2.89Å; D90-F92 WeakPolarHBondContact OD1-CB 3.5Å; D90-F92 PolarHBondContact OD1-N 2.92Å; F92-F94 HydrophobicContact CD1-CB 3.96Å; F92-F94 HydrophobicContact CE1-CB 3.61Å; F92-F94 PolarHBondContact O-N 3.14Å; F92-D155 WeakPolarHBondContact CD2-OD1 3.21Å; F92-D155 HydrophobicContact CE2-CB 4.04Å; F92-D155 WeakPolarHBondContact CE2-OD1 3.47Å; F92-D155 HydrophobicContact CZ-CB 4.24Å; F92-K158 HydrophobicContact CB-CD 3.59Å; F92-K158 HydrophobicContact CD1-CB 4.14Å; F92-K158 HydrophobicContact CD1-CD 3.83Å; F92-K158 HydrophobicContact CD2-CD 4.11Å; F92-K158 HydrophobicContact CE1-CB 4.43Å; F92-K158 HydrophobicContact CG-CD 3.57Å; F92-Y159 HydrophobicContact CE1-CD2 4.31Å; F92-Y159 HydrophobicContact CE1-CE1 4.42Å; F92-Y159 AromaticContact CE1-CE2 3.82Å; F92-Y159 HydrophobicContact CE1-CE2 3.82Å; F92-Y159 AromaticContact CE1-CZ 3.89Å; F92-Y159 HydrophobicContact CZ-CD2 4.29Å; F92-Y159 AromaticContact CZ-CE2 3.56Å; F92-Y159 HydrophobicContact CZ-CE2 3.56Å; F92-Y159 AromaticContact CZ-CZ 3.87Å
93V93.7Very high93.4Very high34 Ų3432.5 Ų32.521%0.20619%0.194CC..EExtended strand (participates in β ladder)trans-86.1110.3176.4-173.90000110C84 F85 F86 G91 E96C84-V93 HydrophobicContact CB-CG1 3.97Å; F85-V93 WeakPolarHBondContact O-CA 3.43Å; F86-V93 HydrophobicContact CD1-CG2 3.56Å; F86-V93 HydrophobicContact CE1-CG2 3.38Å; F86-V93 HydrophobicContact CG-CG2 4.3Å; F86-V93 HydrophobicContact CZ-CG2 4Å; G91-V93 PolarHBondContact O-N 2.84Å; V93-E96 HydrophobicContact CG1-CG 3.98Å
94F92.7Very high93Very high13 Ų1336.1 Ų36.16%0.05721%0.213CC..EExtended strand (participates in β ladder)trans-101.7-18.8-17777.4-88.9000113.6I73 F85 V87 F92 Y159 L162 Y265 I269I73-F94 HydrophobicContact CD1-CD1 4.42Å; I73-F94 HydrophobicContact CD1-CE1 3.68Å; I73-F94 HydrophobicContact CD1-CZ 4.31Å; I73-F94 HydrophobicContact CG1-CE1 4.38Å; I73-F94 HydrophobicContact CG2-CE1 3.92Å; I73-F94 HydrophobicContact CG2-CZ 4.39Å; F85-F94 HydrophobicContact CB-CD1 4.06Å; F85-F94 HydrophobicContact CB-CE1 3.46Å; F85-F94 VanDerWaalsContact CB-CE1 3.46Å; F85-F94 HydrophobicContact CB-CZ 3.77Å; F85-F94 HydrophobicContact CD1-CZ 4.38Å; F85-F94 HydrophobicContact CG-CZ 4.39Å; F85-F94 VanDerWaalsContact O-CD1 3.31Å; F85-F94 WeakPolarHBondContact O-CD1 3.48Å; F85-F94 PolarHBondContact O-N 2.78Å; F85-F94 VanDerWaalsContact O-N 3.1Å; V87-F94 HydrophobicContact CG2-CD1 3.96Å; F92-F94 HydrophobicContact CD1-CB 3.96Å; F92-F94 HydrophobicContact CE1-CB 3.61Å; F92-F94 PolarHBondContact O-N 3.14Å; F94-Y159 HydrophobicContact CB-CE1 3.88Å; F94-L162 HydrophobicContact CB-CD1 3.74Å; F94-L162 HydrophobicContact CD1-CD1 3.91Å; F94-L162 HydrophobicContact CD2-CD1 3.63Å; F94-L162 HydrophobicContact CE1-CD1 4.43Å; F94-L162 HydrophobicContact CE1-CD2 4.42Å; F94-L162 HydrophobicContact CE2-CD1 4.19Å; F94-L162 HydrophobicContact CG-CD1 3.47Å; F94-L162 VanDerWaalsContact CG-CD1 3.47Å; F94-Y265 AromaticContact CE2-CE2 3.96Å; F94-Y265 HydrophobicContact CE2-CE2 3.96Å; F94-Y265 HydrophobicContact CZ-CE2 4.35Å; F94-I269 HydrophobicContact CD2-CD1 3.7Å; F94-I269 HydrophobicContact CE2-CD1 4.02Å
95H94.5Very high92.7Very high20 Ų2038.3 Ų38.39%0.09322%0.222CC..EExtended strand (participates in β ladder)trans-149149.2-177.6-171.846.6000111.4F85 L97F85-H95 HydrophobicContact CB-CB 4.14Å; F85-H95 HydrophobicContact CD2-CB 4.09Å; F85-H95 AromaticContact CD2-CD2 3.83Å; F85-H95 WeakPolarHBondContact CD2-O 3.35Å; F85-H95 AromaticContact CE2-CD2 3.73Å; F85-H95 HydrophobicContact CG-CB 4.21Å; F85-H95 PolarHBondContact N-O 3.22Å; H95-L97 WeakPolarHBondContact NE2-CD2 3.46Å
96E95.6Very high92.5Very high78 Ų7838.7 Ų38.736%0.36422%0.224SC..EExtended strand (participates in β ladder)trans-139143.7176.4-59.9-172.3164.900110.1K56 V83 C84 V93K56-E96 IonicContact NZ-OE1 2.83Å; K56-E96 PolarHBondContact NZ-OE1 3.16Å; V83-E96 CarbonylContact O-C 3.58Å; V83-E96 WeakPolarHBondContact O-CA 3.5Å; C84-E96 PolarHBondContact SG-OE1 2.82Å; V93-E96 HydrophobicContact CG1-CG 3.98Å
97L95.9Very high92.4Very high21 Ų2140.9 Ų40.911%0.1124%0.235CC..EExtended strand (participates in β ladder)trans-119.5151.6169.2-61.7172.8000109.5K82 V83 F85 H95 F99 Y185K82-L97 CarbonylContact C-O 3.57Å; K82-L97 WeakPolarHBondContact CA-O 3.25Å; V83-L97 HydrophobicContact CB-CB 4.26Å; V83-L97 PolarHBondContact N-O 3.35Å; V83-L97 PolarHBondContact O-N 2.78Å; F85-L97 HydrophobicContact CE2-CD1 3.89Å; F85-L97 HydrophobicContact CE2-CG 3.92Å; F85-L97 HydrophobicContact CZ-CD1 3.84Å; F85-L97 HydrophobicContact CZ-CG 4.34Å; H95-L97 WeakPolarHBondContact NE2-CD2 3.46Å; L97-F99 HydrophobicContact CB-CD2 4.47Å; L97-F99 HydrophobicContact CB-CE2 3.74Å; L97-F99 HydrophobicContact CB-CZ 4.43Å; L97-F99 HydrophobicContact CD1-CE2 4.29Å; L97-F99 HydrophobicContact CD1-CZ 4.37Å; L97-Y185 HydrophobicContact CD1-CD2 4.38Å; L97-Y185 HydrophobicContact CD1-CE1 4.47Å; L97-Y185 HydrophobicContact CD1-CE2 4.3Å; L97-Y185 HydrophobicContact CD1-CG 4.49Å
98Q94.9Very high92.4Very high114 Ų11440.7 Ų40.753%0.53323%0.233SC..EExtended strand (participates in β ladder)trans-125128.2177.8178.469.96400109.8S80S80-Q98 PolarHBondContact O-NE2 3.11Å; S80-Q98 VanDerWaalsContact O-NE2 3.14Å
99F93.6Very high92.3Very high8 Ų841 Ų414%0.03524%0.235CC..  trans-115.2157.5175.7-66.3-91.5000110.5G81 V83 L97 S101 I103 V176 Y183 Y185G81-F99 WeakPolarHBondContact O-CB 3.47Å; G81-F99 PolarHBondContact O-N 3.07Å; V83-F99 HydrophobicContact CB-CE2 4.49Å; V83-F99 HydrophobicContact CG2-CD2 3.87Å; V83-F99 HydrophobicContact CG2-CE2 3.75Å; L97-F99 HydrophobicContact CB-CD2 4.47Å; L97-F99 HydrophobicContact CB-CE2 3.74Å; L97-F99 HydrophobicContact CB-CZ 4.43Å; L97-F99 HydrophobicContact CD1-CE2 4.29Å; L97-F99 HydrophobicContact CD1-CZ 4.37Å; F99-S101 PolarHBondContact O-N 2.75Å; F99-I103 HydrophobicContact CB-CD1 3.7Å; F99-I103 HydrophobicContact CD1-CD1 4.25Å; F99-I103 HydrophobicContact CD2-CD1 3.6Å; F99-I103 HydrophobicContact CD2-CG1 4.5Å; F99-I103 HydrophobicContact CE2-CD1 4.28Å; F99-I103 HydrophobicContact CG-CD1 3.57Å; F99-V176 HydrophobicContact CE1-CB 4.45Å; F99-V176 HydrophobicContact CE1-CG1 4.07Å; F99-V176 HydrophobicContact CE2-CG1 4.15Å; F99-V176 HydrophobicContact CZ-CB 4.19Å; F99-V176 HydrophobicContact CZ-CG1 3.85Å; F99-V176 HydrophobicContact CZ-CG2 4.08Å; F99-Y183 HydrophobicContact CD1-CD2 4.26Å; F99-Y183 HydrophobicContact CD1-CE2 4.02Å; F99-Y183 HydrophobicContact CE1-CD1 4.33Å; F99-Y183 AromaticContact CE1-CD2 3.77Å; F99-Y183 HydrophobicContact CE1-CD2 3.77Å; F99-Y183 AromaticContact CE1-CE2 3.96Å; F99-Y183 HydrophobicContact CE1-CE2 3.96Å; F99-Y183 AromaticContact CE1-CG 3.97Å; F99-Y183 HydrophobicContact CE1-CG 3.97Å; F99-Y185 HydrophobicContact CE1-CE2 4.23Å; F99-Y185 AromaticContact CZ-CE2 3.75Å; F99-Y185 HydrophobicContact CZ-CE2 3.75Å
100P88.3Confident92.4Very high106 Ų10640.3 Ų40.369%0.68822%0.216SC*.SBendtrans-71-13.3-177.328.2-36.1000114.1
101S89.9Confident92.1Very high31 Ų3138 Ų3822%0.21720%0.203CC..SBendtrans-147.6168.2-175.639.40000110G81 F99 S178 K179G81-S101 WeakPolarHBondContact CA-O 3.46Å; F99-S101 PolarHBondContact O-N 2.75Å; S101-S178 PolarHBondContact O-OG 2.96Å; S101-S178 PolarHBondContact OG-OG 2.94Å; S101-K179 WeakPolarHBondContact OG-CB 3.4Å
102T92.5Very high91.3Very high56 Ų5644.1 Ų44.134%0.34423%0.229SC..  trans-53.6148.4169.2-177.60000111S178T102-S178 PolarHBondContact O-OG 2.89Å
103I93.5Very high89.8Confident3 Ų343.2 Ų43.22%0.01523%0.226CC..  trans-85.6126.9178.7-56.1-50.1000107.6N64 V83 F99 Y105 L106 V176N64-I103 PolarHBondContact OD1-O 3.04Å; V83-I103 HydrophobicContact CG2-CD1 4.34Å; V83-I103 HydrophobicContact CG2-CG1 3.82Å; F99-I103 HydrophobicContact CB-CD1 3.7Å; F99-I103 HydrophobicContact CD1-CD1 4.25Å; F99-I103 HydrophobicContact CD2-CD1 3.6Å; F99-I103 HydrophobicContact CD2-CG1 4.5Å; F99-I103 HydrophobicContact CE2-CD1 4.28Å; F99-I103 HydrophobicContact CG-CD1 3.57Å; I103-Y105 WeakPolarHBondContact CG2-O 3.37Å; I103-L106 HydrophobicContact CG2-CB 4.17Å; I103-L106 HydrophobicContact CG2-CD1 4.45Å; I103-V176 HydrophobicContact CD1-CG1 3.66Å; I103-V176 HydrophobicContact CG1-CG1 4.24Å; I103-V176 HydrophobicContact CG2-CG1 3.74Å
104D90.4Very high88Confident75 Ų7546.2 Ų46.240%0.40125%0.248SC..SBendtrans-87-31.4178.8-51.5-65.4000110.6Y177 K179 L213D104-Y177 HydrophobicContact CB-CD1 3.93Å; D104-Y177 PolarHBondContact N-O 3.29Å; D104-K179 PolarHBondContact OD2-N 3.44Å; D104-L213 HydrophobicContact CB-CB 4.3Å; D104-L213 HydrophobicContact CB-CD2 4.08Å
105Y90.9Very high86Confident47 Ų4748 Ų4818%0.18427%0.265CS..EExtended strand (participates in β ladder)trans-149.2143.3179178.1-89.2000112.9I103 L107 V176 Y177 L213 C216I103-Y105 WeakPolarHBondContact CG2-O 3.37Å; Y105-L107 HydrophobicContact CD1-CB 4.48Å; Y105-L107 HydrophobicContact CE1-CB 3.47Å; Y105-L107 VanDerWaalsContact CE1-CB 3.47Å; Y105-L107 WeakPolarHBondContact OH-CB 3.39Å; Y105-L107 WeakPolarHBondContact OH-CD2 3.09Å; Y105-V176 WeakPolarHBondContact O-CA 3.39Å; Y105-Y177 PolarHBondContact N-O 3.04Å; Y105-Y177 PolarHBondContact O-N 2.7Å; Y105-L213 HydrophobicContact CG-CD2 4.17Å; Y105-C216 HydrophobicContact CD1-CB 3.61Å; Y105-C216 HydrophobicContact CD2-CB 4.01Å; Y105-C216 HydrophobicContact CE1-CB 3.59Å; Y105-C216 HydrophobicContact CE2-CB 3.96Å; Y105-C216 WeakPolarHBondContact CE2-O 3.48Å; Y105-C216 HydrophobicContact CG-CB 3.82Å; Y105-C216 PolarHBondContact OH-O 2.98Å
106L93.8Very high83.8Confident9 Ų948.6 Ų48.65%0.04727%0.271CS..EExtended strand (participates in β ladder)trans-146.6118.3-175.2-169.369.8000109.8N64 T66 T75 V83 I103 L174 T175 V176N64-L106 HydrophobicContact CB-CB 3.8Å; N64-L106 HydrophobicContact CB-CD2 4.36Å; T66-L106 HydrophobicContact CG2-CB 4.41Å; T66-L106 HydrophobicContact CG2-CD2 3.69Å; T66-L106 HydrophobicContact CG2-CG 3.54Å; T75-L106 HydrophobicContact CG2-CD2 4Å; V83-L106 HydrophobicContact CG1-CD1 4.44Å; V83-L106 HydrophobicContact CG1-CD2 4.4Å; I103-L106 HydrophobicContact CG2-CB 4.17Å; I103-L106 HydrophobicContact CG2-CD1 4.45Å; L106-L174 HydrophobicContact CD1-CD1 3.73Å; L106-L174 HydrophobicContact CD1-CD2 4.35Å; L106-L174 HydrophobicContact CD1-CG 4.27Å; L106-L174 HydrophobicContact CG-CD1 4.17Å; L106-T175 WeakPolarHBondContact CA-O 3.46Å; L106-V176 HydrophobicContact CD1-CB 4.4Å; L106-V176 HydrophobicContact CD1-CG1 4.27Å; L106-V176 HydrophobicContact CD1-CG2 3.78Å
107L93.3Very high81.3Confident47 Ų4749.3 Ų49.325%0.24628%0.277CS..EExtended strand (participates in β ladder)trans-143.6130.4179.7177.568.1000112.3Y105 T109 T175Y105-L107 HydrophobicContact CD1-CB 4.48Å; Y105-L107 HydrophobicContact CE1-CB 3.47Å; Y105-L107 VanDerWaalsContact CE1-CB 3.47Å; Y105-L107 WeakPolarHBondContact OH-CB 3.39Å; Y105-L107 WeakPolarHBondContact OH-CD2 3.09Å; L107-T109 HydrophobicContact CD2-CG2 3.68Å; L107-T109 HydrophobicContact CG-CG2 4.01Å; L107-T175 PolarHBondContact N-O 2.9Å; L107-T175 PolarHBondContact O-N 2.87Å
108W93.9Very high78.7Confident12 Ų1253 Ų535%0.04530%0.296CS..EExtended strand (participates in β ladder)trans-86.6138.7161-79111000112.9T66 W67 R68 P69 T75 F85 P172 I173 L174 F187 G188T66-W108 HydrophobicContact CG2-CG 4.31Å; T66-W108 PolarHBondContact OG1-N 3.41Å; T66-W108 VanDerWaalsContact OG1-N 3.07Å; W67-W108 VanDerWaalsContact C-CD1 3.49Å; W67-W108 VanDerWaalsContact O-CB 3.26Å; W67-W108 WeakPolarHBondContact O-CB 3.33Å; R68-W108 HydrophobicContact CB-CD2 4.24Å; R68-W108 HydrophobicContact CB-CG 4.28Å; R68-W108 HydrophobicContact CG-CD2 4.22Å; R68-W108 HydrophobicContact CG-CE3 4.27Å; R68-W108 HydrophobicContact CG-CZ3 4.49Å; P69-W108 HydrophobicContact CG-CB 4.26Å; T75-W108 PolarHBondContact OG1-NE1 3.48Å; F85-W108 AromaticContact CD1-CZ2 3.95Å; F85-W108 HydrophobicContact CD1-CZ2 3.95Å; F85-W108 HydrophobicContact CE1-CH2 4.22Å; F85-W108 AromaticContact CE1-CZ2 3.53Å; F85-W108 HydrophobicContact CE1-CZ2 3.53Å; W108-P172 HydrophobicContact CE3-CB 4Å; W108-P172 HydrophobicContact CZ3-CB 3.79Å; W108-P172 HydrophobicContact CZ3-CG 4.5Å; W108-I173 WeakPolarHBondContact CA-O 3.48Å; W108-I173 VanDerWaalsContact CE3-C 3.49Å; W108-L174 HydrophobicContact CD2-CB 3.94Å; W108-L174 HydrophobicContact CD2-CD1 3.94Å; W108-L174 HydrophobicContact CE3-CB 3.79Å; W108-L174 HydrophobicContact CG-CD1 4.02Å; W108-L174 HydrophobicContact CH2-CB 4.06Å; W108-L174 HydrophobicContact CZ2-CB 4.2Å; W108-L174 HydrophobicContact CZ3-CB 3.82Å; W108-F187 VanDerWaalsContact CH2-C 3.47Å; W108-G188 VanDerWaalsContact CH2-N 3.27Å
109T90.5Very high76.1Confident20 Ų2055.5 Ų55.512%0.12331%0.313CS..EExtended strand (participates in β ladder)trans-130.3165.5170.259.80000109.8L107 P172 I173 L218 Q222L107-T109 HydrophobicContact CD2-CG2 3.68Å; L107-T109 HydrophobicContact CG-CG2 4.01Å; T109-P172 CarbonylContact O-C 3.56Å; T109-P172 VanDerWaalsContact O-CA 3.25Å; T109-P172 WeakPolarHBondContact O-CA 3.49Å; T109-I173 PolarHBondContact N-O 3.19Å; T109-I173 PolarHBondContact O-N 3.39Å; T109-I173 PolarHBondContact OG1-O 2.83Å; T109-L218 HydrophobicContact CG2-CB 4.34Å; T109-L218 HydrophobicContact CG2-CD2 4.06Å; T109-Q222 PolarHBondContact OG1-NE2 3.44Å
110N88.4Confident73.4Confident48 Ų4859.6 Ų59.626%0.25734%0.335SS..EExtended strand (participates in β ladder)trans-124.3123.2174.6-170.837000109.1P69 N170 F171 Q222P69-N110 HydrophobicContact CB-CB 3.96Å; P69-N110 HydrophobicContact CG-CB 3.9Å; N110-N170 PolarHBondContact ND2-OD1 3.37Å; N110-N170 WeakPolarHBondContact OD1-CB 3.49Å; N110-F171 VanDerWaalsContact OD1-C 3.26Å; N110-F171 PolarHBondContact OD1-N 3.32Å; N110-F171 PolarHBondContact OD1-O 3.48Å; N110-Q222 VanDerWaalsContact C-NE2 3.31Å
111Y82.7Confident71.2Confident18 Ų1858.1 Ų58.17%0.07133%0.327CS..EExtended strand (participates in β ladder)trans-91.5127.7171.6-172.7-108.4000109.1F171 Q222 F250 Q251Y111-F171 HydrophobicContact CD1-CD1 4.06Å; Y111-F171 HydrophobicContact CG-CD1 4.38Å; Y111-F171 PolarHBondContact N-O 3.13Å; Y111-F171 WeakPolarHBondContact O-CB 3.4Å; Y111-F171 PolarHBondContact O-N 2.98Å; Y111-Q222 VanDerWaalsContact CB-OE1 3.24Å; Y111-Q222 HydrophobicContact CD2-CB 3.98Å; Y111-Q222 HydrophobicContact CD2-CG 3.96Å; Y111-Q222 HydrophobicContact CE2-CB 4.47Å; Y111-F250 PolarHBondContact OH-O 2.7Å; Y111-Q251 WeakPolarHBondContact OH-CA 3.16Å
112Q75.7Confident69Low138 Ų13863.3 Ų63.365%0.64535%0.353SS*.  trans-102109169.3-71.9-175.6-19.600108.1S114Q112-S114 PolarHBondContact O-N 3.07Å
113S62.4Low66.8Low10 Ų1063.2 Ų63.27%0.0736%0.355CS..  trans-67.9123.4177.2-175.60000109.8A115 T116S113-A115 PolarHBondContact O-N 2.79Å; S113-A115 VanDerWaalsContact O-N 3.09Å; S113-A115 PolarHBondContact OG-N 3.4Å; S113-T116 PolarHBondContact O-N 3.32Å; S113-T116 PolarHBondContact O-OG1 3.47Å
114S55.5Low64.4Low96 Ų9667 Ų6767%0.67137%0.374SS*.G310 helixtrans-62.1-15.8174.9-52.60000113.1Q112 T116 N117Q112-S114 PolarHBondContact O-N 3.07Å; S114-T116 PolarHBondContact O-N 2.87Å; S114-N117 PolarHBondContact O-N 2.83Å
115A51.1Low62.4Low50 Ų5066.4 Ų66.441%0.41337%0.371SS..G310 helixtrans-66.1-20.7-178.800000113.9S113 N117S113-A115 PolarHBondContact O-N 2.79Å; S113-A115 VanDerWaalsContact O-N 3.09Å; S113-A115 PolarHBondContact OG-N 3.4Å; A115-N117 PolarHBondContact O-N 2.78Å
116T47.6Very low60.1Low34 Ų3468.3 Ų68.321%0.20938%0.384CS..G310 helixtrans-76.2-10.3176.559.90000113.3S113 S114S113-T116 PolarHBondContact O-N 3.32Å; S113-T116 PolarHBondContact O-OG1 3.47Å; S114-T116 PolarHBondContact O-N 2.87Å
117N41.9Very low57.8Low92 Ų9276.6 Ų76.649%0.49242%0.416SS..G310 helixtrans-98.711.6-176.6-76.3-6.8000113.9S114 A115 N119S114-N117 PolarHBondContact O-N 2.83Å; A115-N117 PolarHBondContact O-N 2.78Å; N117-N119 PolarHBondContact O-N 2.8Å
118I42.9Very low55.6Low99 Ų9978.8 Ų78.851%0.50843%0.428SS..  trans-72.1113.1169.5-54.5177.6000106.9N120I118-N120 HydrophobicContact CG2-CB 4.21Å; I118-N120 WeakPolarHBondContact CG2-ND2 3.33Å; I118-N120 PolarHBondContact O-N 3.42Å
119N39Very low53.7Low166 Ų16686.3 Ų86.389%0.88846%0.456SS*.  trans-62.135.7176.9-70.1-31.1000114.2N117N117-N119 PolarHBondContact O-N 2.8Å
120N38.4Very low52.2Low94 Ų9487.7 Ų87.750%0.50346%0.463SS..  trans-84.5132.3173.3-70.6-7.9000107.9I118I118-N120 HydrophobicContact CG2-CB 4.21Å; I118-N120 WeakPolarHBondContact CG2-ND2 3.33Å; I118-N120 PolarHBondContact O-N 3.42Å
121S40.6Very low51.1Low75 Ų7588 Ų8852%0.52446%0.464SS..  trans-22.8136.5-179.444.10000114.8S123 D124S121-S123 PolarHBondContact O-N 2.83Å; S121-S123 PolarHBondContact O-OG 3.3Å; S121-S123 PolarHBondContact OG-OG 2.81Å; S121-S123 VanDerWaalsContact OG-OG 3.07Å; S121-D124 PolarHBondContact O-N 3.29Å
122D44.8Very low50.7Low140 Ų14087.6 Ų87.675%0.74946%0.464SS*.Hα-helixtrans-42-18.6177-78.4-37.7000115.2N126D122-N126 VanDerWaalsContact O-CG 3.24Å; D122-N126 PolarHBondContact O-ND2 3.35Å
123S46.1Very low50.6Low55 Ų5585.5 Ų85.539%0.38547%0.47SS..Hα-helixtrans-59.7-42.8170.959.10000114.3S121 Y127S121-S123 PolarHBondContact O-N 2.83Å; S121-S123 PolarHBondContact O-OG 3.3Å; S121-S123 PolarHBondContact OG-OG 2.81Å; S121-S123 VanDerWaalsContact OG-OG 3.07Å; S123-Y127 WeakPolarHBondContact O-CD2 3.2Å; S123-Y127 VanDerWaalsContact O-CE2 3.27Å; S123-Y127 WeakPolarHBondContact O-CE2 3.41Å
124D43.8Very low51.2Low81 Ų8190.1 Ų90.143%0.43350%0.498SS..Hα-helixtrans-85.3-32.9-164.8-68.71.3000112.1S121 N126 Y127S121-D124 PolarHBondContact O-N 3.29Å; D124-N126 VanDerWaalsContact C-N 3.29Å; D124-N126 PolarHBondContact O-N 2.85Å; D124-Y127 PolarHBondContact O-N 2.89Å
125I47.2Very low52.4Low63 Ų6392.9 Ų92.932%0.32350%0.495SS..Hα-helixtrans-70.2-29.5175.3-60177.8000111Y127 L128 R129I125-Y127 VanDerWaalsContact C-N 3.3Å; I125-Y127 PolarHBondContact O-N 2.85Å; I125-L128 PolarHBondContact O-N 2.9Å; I125-L128 VanDerWaalsContact O-N 3.12Å; I125-R129 PolarHBondContact O-N 2.96Å
126N42.1Very low54Low88 Ų8891.8 Ų91.847%0.47148%0.481SS..Hα-helixtrans-67.4-27.1177.8-81.1-31.5000113.4D122 D124 L128 N131D122-N126 VanDerWaalsContact O-CG 3.24Å; D122-N126 PolarHBondContact O-ND2 3.35Å; D124-N126 VanDerWaalsContact C-N 3.29Å; D124-N126 PolarHBondContact O-N 2.85Å; N126-L128 VanDerWaalsContact C-N 3.29Å; N126-N131 PolarHBondContact O-ND2 2.77Å
127Y45.6Very low55.6Low182 Ų18293.7 Ų93.771%0.71449%0.494SS*.Hα-helixtrans-72.4-24.2172.9-66.1-73.3000113S123 D124 I125S123-Y127 WeakPolarHBondContact O-CD2 3.2Å; S123-Y127 VanDerWaalsContact O-CE2 3.27Å; S123-Y127 WeakPolarHBondContact O-CE2 3.41Å; D124-Y127 PolarHBondContact O-N 2.89Å; I125-Y127 VanDerWaalsContact C-N 3.3Å; I125-Y127 PolarHBondContact O-N 2.85Å
128L48.1Very low57.2Low93 Ų9391.2 Ų91.249%0.48748%0.48SS..Hα-helixtrans-86.1-16.3-179.4-56.4166.7000111.9I125 N126 Y255I125-L128 PolarHBondContact O-N 2.9Å; I125-L128 VanDerWaalsContact O-N 3.12Å; N126-L128 VanDerWaalsContact C-N 3.29Å; L128-Y255 HydrophobicContact CD2-CE1 4.28Å; L128-Y255 HydrophobicContact CD2-CE2 4.4Å; L128-Y255 WeakPolarHBondContact CD2-OH 3.37Å
129R54.4Low59Low170 Ų17086.7 Ų86.764%0.64246%0.457SS*.SBendtrans-78.8142.3179.1-159.9169.5-179.8166.90.3110.5I125 N131I125-R129 PolarHBondContact O-N 2.96Å; R129-N131 PolarHBondContact O-N 2.93Å; R129-N131 PolarHBondContact O-OD1 3.22Å
130N59.1Low60.5Low49 Ų4984 Ų8426%0.26244%0.438SS..  trans-59.793.6176.3-92.8-24.4000111.1V132 I166N130-V132 HydrophobicContact CB-CG2 4.37Å; N130-V132 PolarHBondContact O-N 2.98Å; N130-I166 WeakPolarHBondContact ND2-CG2 3.47Å
131N64.4Low62Low54 Ų5485.6 Ų85.629%0.28944%0.442SS..THydrogen-bonded Turntrans-77.214.8179.7-68.5-27000113.4N126 R129 A133 T134 Y135N126-N131 PolarHBondContact O-ND2 2.77Å; R129-N131 PolarHBondContact O-N 2.93Å; R129-N131 PolarHBondContact O-OD1 3.22Å; N131-A133 VanDerWaalsContact C-N 3.26Å; N131-A133 PolarHBondContact O-N 3.28Å; N131-T134 WeakPolarHBondContact O-CB 3.49Å; N131-T134 PolarHBondContact O-N 2.86Å; N131-T134 PolarHBondContact O-OG1 3.18Å; N131-Y135 HydrophobicContact CB-CD2 4.38Å; N131-Y135 HydrophobicContact CB-CE2 3.77Å; N131-Y135 WeakPolarHBondContact O-CD2 3.38Å
132V75Confident63.5Low10 Ų1083 Ų836%0.06142%0.422CS..Hα-helixtrans-60.3-37.8-175.7-170.50000111.5N130 T134 Y135 F136 R370 F373N130-V132 HydrophobicContact CB-CG2 4.37Å; N130-V132 PolarHBondContact O-N 2.98Å; V132-T134 PolarHBondContact O-N 3.27Å; V132-Y135 PolarHBondContact O-N 3.05Å; V132-F136 HydrophobicContact CG1-CD2 3.84Å; V132-F136 PolarHBondContact O-N 3.23Å; V132-R370 VanDerWaalsContact CG1-CZ 3.42Å; V132-R370 VanDerWaalsContact CG1-NH1 3.26Å; V132-F373 HydrophobicContact CG2-CE1 3.8Å
133A72.3Confident64.2Low94 Ų9480.4 Ų80.478%0.77742%0.415SS*.Hα-helixtrans-65.4-19.8177.400000113.2N131N131-A133 VanDerWaalsContact C-N 3.26Å; N131-A133 PolarHBondContact O-N 3.28Å
134T76.4Confident64.8Low107 Ų10779.3 Ų79.366%0.65641%0.406SS*.Hα-helixtrans-77.8-35.2176.1-47.70000111.6N131 V132N131-T134 WeakPolarHBondContact O-CB 3.49Å; N131-T134 PolarHBondContact O-N 2.86Å; N131-T134 PolarHBondContact O-OG1 3.18Å; V132-T134 PolarHBondContact O-N 3.27Å
135Y80.4Confident65.6Low154 Ų15476.6 Ų76.660%0.60439%0.39SS*.Hα-helixtrans-98.7-27.6-173.8-57.4-65.4000113.8N131 V132 F373N131-Y135 HydrophobicContact CB-CD2 4.38Å; N131-Y135 HydrophobicContact CB-CE2 3.77Å; N131-Y135 WeakPolarHBondContact O-CD2 3.38Å; V132-Y135 PolarHBondContact O-N 3.05Å; Y135-F373 HydrophobicContact CD2-CE2 4.15Å; Y135-F373 HydrophobicContact CD2-CZ 4.39Å; Y135-F373 HydrophobicContact CE2-CE2 4.5Å
136F83.6Confident65.9Low27 Ų2783.4 Ų83.412%0.11842%0.418CS..SBendtrans-117.4129.3-177.3-66.6-90000110.6V132 F366 Q369 R370 F373V132-F136 HydrophobicContact CG1-CD2 3.84Å; V132-F136 PolarHBondContact O-N 3.23Å; F136-F366 HydrophobicContact CB-CE2 4.33Å; F136-F366 HydrophobicContact CB-CZ 4.26Å; F136-F366 HydrophobicContact CD1-CD2 4.48Å; F136-F366 AromaticContact CD1-CE2 3.85Å; F136-F366 HydrophobicContact CD1-CE2 3.85Å; F136-F366 HydrophobicContact CD1-CZ 4.22Å; F136-Q369 HydrophobicContact CE1-CB 4.26Å; F136-R370 HydrophobicContact CD1-CB 4.17Å; F136-R370 HydrophobicContact CD1-CG 4.46Å; F136-R370 HydrophobicContact CE1-CB 3.89Å; F136-R370 HydrophobicContact CE1-CG 4.45Å; F136-R370 HydrophobicContact CZ-CB 4.27Å; F136-F373 HydrophobicContact CE2-CB 3.81Å; F136-F373 HydrophobicContact CE2-CD1 4.19Å; F136-F373 HydrophobicContact CE2-CD2 4.11Å; F136-F373 AromaticContact CE2-CG 3.76Å; F136-F373 HydrophobicContact CE2-CG 3.76Å; F136-F373 HydrophobicContact CZ-CB 3.8Å; F136-F373 HydrophobicContact CZ-CG 4.27Å
137P81.8Confident66.3Low75 Ų7581 Ų8149%0.48741%0.408SS..  trans-57.4152.9169.624.8-35.5000111.3V139 F366P137-V139 PolarHBondContact O-N 3.27Å; P137-F366 HydrophobicContact CG-CE2 3.8Å; P137-F366 HydrophobicContact CG-CZ 4.39Å
138D75.4Confident66.1Low39 Ų3980.9 Ų80.921%0.20942%0.42CS..  trans-58.2133.5173.8-171.5-25.4000109.4K140 H141 R164D138-K140 HydrophobicContact CB-CD 4.28Å; D138-K140 HydrophobicContact CB-CG 4.02Å; D138-K140 PolarHBondContact O-N 2.97Å; D138-K140 PolarHBondContact OD1-N 3.36Å; D138-K140 VanDerWaalsContact OD2-CD 3.26Å; D138-K140 WeakPolarHBondContact OD2-CD 3.46Å; D138-K140 WeakPolarHBondContact OD2-CE 3.05Å; D138-K140 IonicContact OD2-NZ 2.72Å; D138-K140 PolarHBondContact OD2-NZ 2.86Å; D138-H141 WeakPolarHBondContact O-CB 3.44Å; D138-H141 PolarHBondContact O-CD2 2.99Å; D138-H141 PolarHBondContact O-N 2.85Å; D138-R164 IonicContact OD1-NH1 3.61Å; D138-R164 IonicContact OD2-CZ 2.68Å; D138-R164 IonicContact OD2-NH1 3.37Å; D138-R164 PolarHBondContact OD2-NH1 2.86Å
139V80Confident65.8Low4 Ų478.7 Ų78.72%0.02441%0.41CS..G310 helixtrans-52.4-32.3-177.6-178.30000110.6P137 H141 L142 F145 V156 A160 L163 L273 F366 F367P137-V139 PolarHBondContact O-N 3.27Å; V139-H141 PolarHBondContact O-N 2.79Å; V139-L142 HydrophobicContact CG1-CD1 4.37Å; V139-L142 WeakPolarHBondContact O-CG 3.38Å; V139-L142 PolarHBondContact O-N 3.1Å; V139-L142 VanDerWaalsContact O-N 3.17Å; V139-F145 HydrophobicContact CG1-CZ 3.86Å; V139-F145 WeakPolarHBondContact O-CE2 3.42Å; V139-F145 WeakPolarHBondContact O-CZ 3.47Å; V139-V156 HydrophobicContact CG1-CG1 3.8Å; V139-A160 HydrophobicContact CB-CB 3.99Å; V139-A160 HydrophobicContact CG2-CB 4.43Å; V139-L163 HydrophobicContact CG2-CD1 4.4Å; V139-L273 HydrophobicContact CG1-CD1 4.49Å; V139-F366 HydrophobicContact CG2-CE1 4.34Å; V139-F367 HydrophobicContact CG1-CE1 4.06Å; V139-F367 HydrophobicContact CG1-CZ 3.93Å; V139-F367 HydrophobicContact CG2-CE1 4.32Å
140K71.3Confident65.3Low111 Ų11178 Ų7848%0.48342%0.419SS..G310 helixtrans-57.2-19.1177.675.8-168.6178.6-147.10115D138D138-K140 HydrophobicContact CB-CD 4.28Å; D138-K140 HydrophobicContact CB-CG 4.02Å; D138-K140 PolarHBondContact O-N 2.97Å; D138-K140 PolarHBondContact OD1-N 3.36Å; D138-K140 VanDerWaalsContact OD2-CD 3.26Å; D138-K140 WeakPolarHBondContact OD2-CD 3.46Å; D138-K140 WeakPolarHBondContact OD2-CE 3.05Å; D138-K140 IonicContact OD2-NZ 2.72Å; D138-K140 PolarHBondContact OD2-NZ 2.86Å
141H70.6Confident64.9Low126 Ų12679 Ų7958%0.58342%0.421SS*.G310 helixtrans-84.9-7.8-178.3-63.7-64.9000114D138 V139 S143D138-H141 WeakPolarHBondContact O-CB 3.44Å; D138-H141 PolarHBondContact O-CD2 2.99Å; D138-H141 PolarHBondContact O-N 2.85Å; V139-H141 PolarHBondContact O-N 2.79Å; H141-S143 PolarHBondContact O-N 2.82Å
142L72.3Confident64.5Low22 Ų2278.9 Ų78.912%0.11543%0.425CS..  trans-67.6122.6176.2-48.5175.9000109V139 T144 F145 Q362 Q363 F366 F367V139-L142 HydrophobicContact CG1-CD1 4.37Å; V139-L142 WeakPolarHBondContact O-CG 3.38Å; V139-L142 PolarHBondContact O-N 3.1Å; V139-L142 VanDerWaalsContact O-N 3.17Å; L142-T144 PolarHBondContact O-N 3.19Å; L142-F145 HydrophobicContact CB-CD2 4.36Å; L142-F145 HydrophobicContact CB-CE2 3.45Å; L142-F145 VanDerWaalsContact CB-CE2 3.45Å; L142-F145 HydrophobicContact CB-CZ 3.69Å; L142-F145 HydrophobicContact CD1-CE2 4.44Å; L142-F145 HydrophobicContact CD1-CZ 3.88Å; L142-F145 HydrophobicContact CG-CE2 4.15Å; L142-F145 HydrophobicContact CG-CZ 4.1Å; L142-F145 WeakPolarHBondContact O-CD2 3.47Å; L142-F145 WeakPolarHBondContact O-CE2 3.45Å; L142-Q362 WeakPolarHBondContact CD2-O 3.38Å; L142-Q363 HydrophobicContact CD1-CG 4.33Å; L142-F366 HydrophobicContact CD1-CD1 3.84Å; L142-F366 HydrophobicContact CD1-CE1 4.22Å; L142-F366 HydrophobicContact CD1-CG 4.4Å; L142-F366 HydrophobicContact CD2-CD1 4.37Å; L142-F366 HydrophobicContact CD2-CD2 4.47Å; L142-F366 HydrophobicContact CD2-CG 4.26Å; L142-F367 HydrophobicContact CD1-CE2 4.37Å; L142-F367 HydrophobicContact CD1-CZ 3.93Å
143S58.3Low63.9Low84 Ų8481.7 Ų81.759%0.58745%0.445SS*.THydrogen-bonded Turntrans-65.9-9.2-166.435.60000115.8H141 Q362H141-S143 PolarHBondContact O-N 2.82Å; S143-Q362 VanDerWaalsContact OG-CD 3.29Å; S143-Q362 PolarHBondContact OG-NE2 2.95Å; S143-Q362 PolarHBondContact OG-OE1 3.33Å
144T59.6Low63.9Low33 Ų3379.6 Ų79.620%0.20242%0.424CS..THydrogen-bonded Turntrans-11119.6-162.7-43.20000113.6L142 K146 I359 Q362L142-T144 PolarHBondContact O-N 3.19Å; T144-K146 PolarHBondContact O-N 3.27Å; T144-I359 HydrophobicContact CG2-CG1 3.92Å; T144-Q362 PolarHBondContact OG1-OE1 3.31Å
145F60.3Low64Low24 Ų2475.5 Ų75.511%0.10540%0.398CS..  trans-784.9173.3-59.4-64.7000114.8V139 L142 S147 V156 W276V139-F145 HydrophobicContact CG1-CZ 3.86Å; V139-F145 WeakPolarHBondContact O-CE2 3.42Å; V139-F145 WeakPolarHBondContact O-CZ 3.47Å; L142-F145 HydrophobicContact CB-CD2 4.36Å; L142-F145 HydrophobicContact CB-CE2 3.45Å; L142-F145 VanDerWaalsContact CB-CE2 3.45Å; L142-F145 HydrophobicContact CB-CZ 3.69Å; L142-F145 HydrophobicContact CD1-CE2 4.44Å; L142-F145 HydrophobicContact CD1-CZ 3.88Å; L142-F145 HydrophobicContact CG-CE2 4.15Å; L142-F145 HydrophobicContact CG-CZ 4.1Å; L142-F145 WeakPolarHBondContact O-CD2 3.47Å; L142-F145 WeakPolarHBondContact O-CE2 3.45Å; F145-S147 PolarHBondContact O-N 3.49Å; F145-V156 HydrophobicContact CD1-CB 4.04Å; F145-V156 HydrophobicContact CD1-CG1 3.74Å; F145-V156 HydrophobicContact CD1-CG2 3.72Å; F145-V156 HydrophobicContact CE1-CB 3.97Å; F145-V156 HydrophobicContact CE1-CG1 3.22Å; F145-V156 HydrophobicContact CE1-CG2 3.76Å; F145-V156 HydrophobicContact CE2-CG1 4.2Å; F145-V156 HydrophobicContact CG-CG1 4.44Å; F145-V156 HydrophobicContact CZ-CG1 3.47Å; F145-V156 VanDerWaalsContact CZ-CG1 3.47Å; F145-W276 AromaticContact CD1-CH2 3.34Å; F145-W276 HydrophobicContact CD1-CH2 3.34Å; F145-W276 HydrophobicContact CD1-CZ2 4.18Å; F145-W276 AromaticContact CD1-CZ3 3.81Å; F145-W276 HydrophobicContact CD1-CZ3 3.81Å; F145-W276 AromaticContact CE1-CH2 3.56Å; F145-W276 HydrophobicContact CE1-CH2 3.56Å; F145-W276 AromaticContact CE1-CZ3 3.47Å; F145-W276 HydrophobicContact CE1-CZ3 3.47Å; F145-W276 VanDerWaalsContact CE1-CZ3 3.47Å
146K52.6Low63.9Low206 Ų20668.2 Ų68.290%0.89637%0.37SS*.  trans-94.577.2175.5-65.5-172.9179.5-176.40109.4T144T144-K146 PolarHBondContact O-N 3.27Å
147S50Low63.7Low38 Ų3869.6 Ų69.627%0.26638%0.382SS..  trans-134.6134.5163.454.70000109.5F145 V149 Q280F145-S147 PolarHBondContact O-N 3.49Å; S147-V149 PolarHBondContact O-N 3.42Å; S147-V149 VanDerWaalsContact O-N 3.11Å; S147-Q280 PolarHBondContact OG-OE1 3.09Å
148D42.1Very low63.9Low179 Ų17967 Ų6796%0.95736%0.363SS*.  trans-82.133.5-174.2-69.9-42000113.3
149V41.1Very low64.4Low47 Ų4766.1 Ų66.129%0.28536%0.357SS..SBendtrans-129110.8-170.8-118.30000113.6S147 F151 Q280 I283S147-V149 PolarHBondContact O-N 3.42Å; S147-V149 VanDerWaalsContact O-N 3.11Å; V149-F151 PolarHBondContact O-N 3.14Å; V149-Q280 PolarHBondContact O-NE2 2.86Å; V149-I283 HydrophobicContact CB-CG2 4.4Å; V149-I283 HydrophobicContact CG1-CG2 4.23Å; V149-I283 HydrophobicContact CG2-CG2 4.44Å
150N44.7Very low64.6Low155 Ų15566.1 Ų66.183%0.82936%0.357SS*.SBendtrans53.7-13.3164.1-64.5-14000120.3
151F49.8Very low65.3Low69 Ų6965 Ų6530%0.30335%0.354SS..SBendtrans-131.6117.9167-117.6-106.1000106.9V149 D155 Y159 W276V149-F151 PolarHBondContact O-N 3.14Å; F151-D155 HydrophobicContact CD1-CB 3.41Å; F151-D155 VanDerWaalsContact CD1-CB 3.41Å; F151-D155 HydrophobicContact CE1-CB 3.46Å; F151-D155 VanDerWaalsContact CE1-CB 3.46Å; F151-D155 HydrophobicContact CG-CB 4.41Å; F151-Y159 HydrophobicContact CE1-CE2 4.01Å; F151-Y159 HydrophobicContact CZ-CE2 4.4Å; F151-W276 AromaticContact CD1-CD1 3.39Å; F151-W276 HydrophobicContact CD1-CG 4.17Å; F151-W276 AromaticContact CD1-NE1 3.71Å; F151-W276 AromaticContact CD2-CD1 3.9Å; F151-W276 AromaticContact CG-CD1 3.28Å; F151-W276 HydrophobicContact CG-CG 4.4Å; F151-W276 AromaticContact CG-NE1 3.5Å
152S56.5Low66.1Low53 Ų5359 Ų5937%0.37133%0.326SS..  trans-71.7152.4-179.7650000109.6S154 D155S152-S154 PolarHBondContact O-N 2.75Å; S152-S154 VanDerWaalsContact OG-CB 3.3Å; S152-S154 WeakPolarHBondContact OG-CB 3.23Å; S152-S154 PolarHBondContact OG-N 2.81Å; S152-S154 PolarHBondContact OG-OG 3.5Å; S152-D155 PolarHBondContact N-OD2 2.93Å; S152-D155 PolarHBondContact O-N 3.08Å; S152-D155 PolarHBondContact OG-OD2 3.03Å
153S63.3Low66.8Low69 Ų6958.9 Ų58.948%0.48333%0.325SS..Hα-helixtrans-50.3-21.3165.757.20000112.7C157S153-C157 PolarHBondContact O-N 3.21Å; S153-C157 PolarHBondContact O-SG 3.5Å
154S72.3Confident67.9Low49 Ų4960.9 Ų60.934%0.34332%0.32SS..Hα-helixtrans-65-38.9174.197.10000113.2S152 C157 K158S152-S154 PolarHBondContact O-N 2.75Å; S152-S154 VanDerWaalsContact OG-CB 3.3Å; S152-S154 WeakPolarHBondContact OG-CB 3.23Å; S152-S154 PolarHBondContact OG-N 2.81Å; S152-S154 PolarHBondContact OG-OG 3.5Å; S154-C157 WeakPolarHBondContact O-CB 3.21Å; S154-C157 PolarHBondContact O-N 2.94Å; S154-C157 VanDerWaalsContact O-N 3.15Å; S154-K158 WeakPolarHBondContact O-CE 3.35Å; S154-K158 WeakPolarHBondContact O-CG 3.48Å; S154-K158 PolarHBondContact O-N 2.85Å; S154-K158 VanDerWaalsContact OG-CE 3.22Å; S154-K158 WeakPolarHBondContact OG-CE 3.47Å; S154-K158 PolarHBondContact OG-NZ 3.02Å; S154-K158 VanDerWaalsContact OG-NZ 3.14Å
155D77.2Confident68.8Low21 Ų2161.1 Ų61.111%0.11232%0.32CS..Hα-helixtrans-72.5-37.9-173.6-58-48.7000111.4F92 F151 S152 C157 K158 Y159F92-D155 WeakPolarHBondContact CD2-OD1 3.21Å; F92-D155 HydrophobicContact CE2-CB 4.04Å; F92-D155 WeakPolarHBondContact CE2-OD1 3.47Å; F92-D155 HydrophobicContact CZ-CB 4.24Å; F151-D155 HydrophobicContact CD1-CB 3.41Å; F151-D155 VanDerWaalsContact CD1-CB 3.41Å; F151-D155 HydrophobicContact CE1-CB 3.46Å; F151-D155 VanDerWaalsContact CE1-CB 3.46Å; F151-D155 HydrophobicContact CG-CB 4.41Å; S152-D155 PolarHBondContact N-OD2 2.93Å; S152-D155 PolarHBondContact O-N 3.08Å; S152-D155 PolarHBondContact OG-OD2 3.03Å; D155-C157 VanDerWaalsContact C-N 3.29Å; D155-C157 PolarHBondContact O-N 3.37Å; D155-K158 WeakPolarHBondContact O-CB 3.32Å; D155-K158 PolarHBondContact O-N 3.2Å; D155-K158 VanDerWaalsContact O-N 3.17Å; D155-K158 IonicContact OD1-NZ 2.62Å; D155-K158 PolarHBondContact OD1-NZ 3.35Å; D155-Y159 VanDerWaalsContact O-CD2 3.29Å; D155-Y159 WeakPolarHBondContact O-CD2 3.48Å; D155-Y159 PolarHBondContact O-N 3.25Å
156V79.2Confident69.6Low2 Ų260.8 Ų60.81%0.01232%0.319CS..Hα-helixtrans-60.1-42.7170177.40000110.4V139 F145 K158 Y159 A160 L273 W276V139-V156 HydrophobicContact CG1-CG1 3.8Å; F145-V156 HydrophobicContact CD1-CB 4.04Å; F145-V156 HydrophobicContact CD1-CG1 3.74Å; F145-V156 HydrophobicContact CD1-CG2 3.72Å; F145-V156 HydrophobicContact CE1-CB 3.97Å; F145-V156 HydrophobicContact CE1-CG1 3.22Å; F145-V156 HydrophobicContact CE1-CG2 3.76Å; F145-V156 HydrophobicContact CE2-CG1 4.2Å; F145-V156 HydrophobicContact CG-CG1 4.44Å; F145-V156 HydrophobicContact CZ-CG1 3.47Å; F145-V156 VanDerWaalsContact CZ-CG1 3.47Å; V156-K158 VanDerWaalsContact C-N 3.26Å; V156-K158 PolarHBondContact O-N 3.29Å; V156-Y159 PolarHBondContact O-N 3.3Å; V156-A160 WeakPolarHBondContact O-CB 3.49Å; V156-A160 PolarHBondContact O-N 2.72Å; V156-L273 HydrophobicContact CB-CD2 4.49Å; V156-L273 HydrophobicContact CG1-CD2 4.05Å; V156-L273 HydrophobicContact CG2-CD2 4.46Å; V156-W276 HydrophobicContact CG2-CD2 4.13Å; V156-W276 HydrophobicContact CG2-CE3 4.12Å; V156-W276 HydrophobicContact CG2-CH2 4.04Å; V156-W276 HydrophobicContact CG2-CZ2 3.98Å; V156-W276 HydrophobicContact CG2-CZ3 4.09Å
157C80.4Confident70.6Confident55 Ų5554.7 Ų54.737%0.37230%0.296SS..Hα-helixtrans-61.8-35.6177.3-68.20000111.9S153 S154 D155 A160 Q161S153-C157 PolarHBondContact O-N 3.21Å; S153-C157 PolarHBondContact O-SG 3.5Å; S154-C157 WeakPolarHBondContact O-CB 3.21Å; S154-C157 PolarHBondContact O-N 2.94Å; S154-C157 VanDerWaalsContact O-N 3.15Å; D155-C157 VanDerWaalsContact C-N 3.29Å; D155-C157 PolarHBondContact O-N 3.37Å; C157-A160 PolarHBondContact O-N 3.42Å; C157-Q161 VanDerWaalsContact O-CG 3.28Å; C157-Q161 WeakPolarHBondContact O-CG 3.36Å; C157-Q161 PolarHBondContact O-N 3.01Å
158K84.9Confident71.4Confident22 Ų2254.1 Ų54.110%0.09630%0.297CS..Hα-helixtrans-66.8-47.2175-64.3165.6-1441760111.4D90 F92 S154 D155 V156 A160 Q161 L162D90-K158 VanDerWaalsContact OD2-CD 3.28Å; D90-K158 WeakPolarHBondContact OD2-CD 3.28Å; D90-K158 WeakPolarHBondContact OD2-CE 3.39Å; D90-K158 IonicContact OD2-NZ 3.01Å; D90-K158 PolarHBondContact OD2-NZ 3.29Å; F92-K158 HydrophobicContact CB-CD 3.59Å; F92-K158 HydrophobicContact CD1-CB 4.14Å; F92-K158 HydrophobicContact CD1-CD 3.83Å; F92-K158 HydrophobicContact CD2-CD 4.11Å; F92-K158 HydrophobicContact CE1-CB 4.43Å; F92-K158 HydrophobicContact CG-CD 3.57Å; S154-K158 WeakPolarHBondContact O-CE 3.35Å; S154-K158 WeakPolarHBondContact O-CG 3.48Å; S154-K158 PolarHBondContact O-N 2.85Å; S154-K158 VanDerWaalsContact OG-CE 3.22Å; S154-K158 WeakPolarHBondContact OG-CE 3.47Å; S154-K158 PolarHBondContact OG-NZ 3.02Å; S154-K158 VanDerWaalsContact OG-NZ 3.14Å; D155-K158 WeakPolarHBondContact O-CB 3.32Å; D155-K158 PolarHBondContact O-N 3.2Å; D155-K158 VanDerWaalsContact O-N 3.17Å; D155-K158 IonicContact OD1-NZ 2.62Å; D155-K158 PolarHBondContact OD1-NZ 3.35Å; V156-K158 VanDerWaalsContact C-N 3.26Å; V156-K158 PolarHBondContact O-N 3.29Å; K158-A160 VanDerWaalsContact C-N 3.28Å; K158-A160 PolarHBondContact O-N 2.82Å; K158-Q161 WeakPolarHBondContact O-CB 3.18Å; K158-Q161 PolarHBondContact O-N 3.46Å; K158-Q161 VanDerWaalsContact O-N 3.1Å; K158-L162 WeakPolarHBondContact O-CG 3.48Å; K158-L162 PolarHBondContact O-N 2.78Å
159Y86.7Confident72.8Confident20 Ų2050.1 Ų50.18%0.07828%0.276CS..Hα-helixtrans-60.5-38.1173.5-78.4-65.3000112.5F92 F94 F151 D155 V156 L162 L163 I269 L273F92-Y159 HydrophobicContact CE1-CD2 4.31Å; F92-Y159 HydrophobicContact CE1-CE1 4.42Å; F92-Y159 AromaticContact CE1-CE2 3.82Å; F92-Y159 HydrophobicContact CE1-CE2 3.82Å; F92-Y159 AromaticContact CE1-CZ 3.89Å; F92-Y159 HydrophobicContact CZ-CD2 4.29Å; F92-Y159 AromaticContact CZ-CE2 3.56Å; F92-Y159 HydrophobicContact CZ-CE2 3.56Å; F92-Y159 AromaticContact CZ-CZ 3.87Å; F94-Y159 HydrophobicContact CB-CE1 3.88Å; F151-Y159 HydrophobicContact CE1-CE2 4.01Å; F151-Y159 HydrophobicContact CZ-CE2 4.4Å; D155-Y159 VanDerWaalsContact O-CD2 3.29Å; D155-Y159 WeakPolarHBondContact O-CD2 3.48Å; D155-Y159 PolarHBondContact O-N 3.25Å; V156-Y159 PolarHBondContact O-N 3.3Å; Y159-L162 HydrophobicContact CD1-CD1 4.14Å; Y159-L162 PolarHBondContact O-N 2.59Å; Y159-L163 PolarHBondContact O-N 3.42Å; Y159-L163 VanDerWaalsContact O-N 3.07Å; Y159-I269 HydrophobicContact CD1-CD1 4.05Å; Y159-I269 HydrophobicContact CD1-CG2 3.76Å; Y159-I269 HydrophobicContact CE1-CD1 4.19Å; Y159-I269 HydrophobicContact CG-CG2 4.4Å; Y159-L273 HydrophobicContact CD2-CD2 4.23Å; Y159-L273 HydrophobicContact CG-CD2 4.24Å; Y159-L273 HydrophobicContact CG-CG 4.34Å
160A84.4Confident74.8Confident3 Ų349.9 Ų49.93%0.02527%0.272CS..Hα-helixtrans-64.7-38.7173.800000112.1V139 V156 C157 K158 L163 R164V139-A160 HydrophobicContact CB-CB 3.99Å; V139-A160 HydrophobicContact CG2-CB 4.43Å; V156-A160 WeakPolarHBondContact O-CB 3.49Å; V156-A160 PolarHBondContact O-N 2.72Å; C157-A160 PolarHBondContact O-N 3.42Å; K158-A160 VanDerWaalsContact C-N 3.28Å; K158-A160 PolarHBondContact O-N 2.82Å; A160-L163 PolarHBondContact O-N 3.07Å; A160-R164 WeakPolarHBondContact O-CG 3.41Å; A160-R164 PolarHBondContact O-N 2.8Å
161Q85.4Confident76.9Confident87 Ų8742.5 Ų42.541%0.40723%0.233SC..Hα-helixtrans-61.6-46171.7-73.7167.2-2.300111.3C157 K158 L163 R164 D165C157-Q161 VanDerWaalsContact O-CG 3.28Å; C157-Q161 WeakPolarHBondContact O-CG 3.36Å; C157-Q161 PolarHBondContact O-N 3.01Å; K158-Q161 WeakPolarHBondContact O-CB 3.18Å; K158-Q161 PolarHBondContact O-N 3.46Å; K158-Q161 VanDerWaalsContact O-N 3.1Å; Q161-L163 VanDerWaalsContact C-N 3.26Å; Q161-L163 PolarHBondContact O-N 3.12Å; Q161-R164 VanDerWaalsContact CG-NH2 3.27Å; Q161-R164 WeakPolarHBondContact O-CA 3.41Å; Q161-R164 WeakPolarHBondContact O-CB 3.35Å; Q161-R164 PolarHBondContact O-N 2.78Å; Q161-D165 PolarHBondContact O-N 2.82Å
162L87.6Confident78.9Confident2 Ų239.6 Ų39.61%0.0122%0.221CC..Hα-helixtrans-59.1-35.7177.7-67173000112.7I73 V87 F94 K158 Y159 R164 I269I73-L162 HydrophobicContact CD1-CD2 3.56Å; V87-L162 HydrophobicContact CG2-CD1 4.35Å; V87-L162 HydrophobicContact CG2-CD2 4.21Å; F94-L162 HydrophobicContact CB-CD1 3.74Å; F94-L162 HydrophobicContact CD1-CD1 3.91Å; F94-L162 HydrophobicContact CD2-CD1 3.63Å; F94-L162 HydrophobicContact CE1-CD1 4.43Å; F94-L162 HydrophobicContact CE1-CD2 4.42Å; F94-L162 HydrophobicContact CE2-CD1 4.19Å; F94-L162 HydrophobicContact CG-CD1 3.47Å; F94-L162 VanDerWaalsContact CG-CD1 3.47Å; K158-L162 WeakPolarHBondContact O-CG 3.48Å; K158-L162 PolarHBondContact O-N 2.78Å; Y159-L162 HydrophobicContact CD1-CD1 4.14Å; Y159-L162 PolarHBondContact O-N 2.59Å; L162-R164 VanDerWaalsContact C-N 3.34Å; L162-I269 HydrophobicContact CB-CD1 4.48Å; L162-I269 HydrophobicContact CD1-CD1 4.08Å
163L85.8Confident80.7Confident18 Ų1837 Ų379%0.09420%0.203CC..Hα-helixtrans-70-28.3173.7-72.2172000113.2V139 Y159 A160 Q161 I269 L273V139-L163 HydrophobicContact CG2-CD1 4.4Å; Y159-L163 PolarHBondContact O-N 3.42Å; Y159-L163 VanDerWaalsContact O-N 3.07Å; A160-L163 PolarHBondContact O-N 3.07Å; Q161-L163 VanDerWaalsContact C-N 3.26Å; Q161-L163 PolarHBondContact O-N 3.12Å; L163-I269 HydrophobicContact CD1-CG2 4.06Å; L163-I269 HydrophobicContact CD2-CB 3.83Å; L163-I269 HydrophobicContact CD2-CG2 3.74Å; L163-I269 HydrophobicContact CG-CB 4.24Å; L163-I269 HydrophobicContact CG-CG2 3.58Å; L163-L273 HydrophobicContact CD1-CD1 4.05Å
164R81.6Confident82.2Confident126 Ų12633.8 Ų33.848%0.47518%0.18SC..Hα-helixtrans-81.6-28.7177.5-70.5-173.8-61.7-144.42.6112.9D138 A160 Q161 L162 I166D138-R164 IonicContact OD1-NH1 3.61Å; D138-R164 IonicContact OD2-CZ 2.68Å; D138-R164 IonicContact OD2-NH1 3.37Å; D138-R164 PolarHBondContact OD2-NH1 2.86Å; A160-R164 WeakPolarHBondContact O-CG 3.41Å; A160-R164 PolarHBondContact O-N 2.8Å; Q161-R164 VanDerWaalsContact CG-NH2 3.27Å; Q161-R164 WeakPolarHBondContact O-CA 3.41Å; Q161-R164 WeakPolarHBondContact O-CB 3.35Å; Q161-R164 PolarHBondContact O-N 2.78Å; L162-R164 VanDerWaalsContact C-N 3.34Å; R164-I166 PolarHBondContact O-N 2.86Å; R164-I166 VanDerWaalsContact O-N 3.15Å
165D78.5Confident83.2Confident39 Ų3931.5 Ų31.521%0.20917%0.165CC..  trans-73.63-178-73.3-22.8000114.2K72 Q161 D167K72-D165 HydrophobicContact CD-CB 4.44Å; K72-D165 WeakPolarHBondContact CD-OD2 3.49Å; K72-D165 VanDerWaalsContact NZ-CG 3.3Å; K72-D165 IonicContact NZ-OD1 3.31Å; K72-D165 PolarHBondContact NZ-OD1 3.01Å; K72-D165 IonicContact NZ-OD2 3.79Å; Q161-D165 PolarHBondContact O-N 2.82Å; D165-D167 PolarHBondContact O-N 2.95Å
166I77.9Confident84Confident16 Ų1630.5 Ų30.58%0.08216%0.159CC..  trans-79.887.9177.8-52.4175.3000108.8N130 R164 F187 Y265 S266N130-I166 WeakPolarHBondContact ND2-CG2 3.47Å; R164-I166 PolarHBondContact O-N 2.86Å; R164-I166 VanDerWaalsContact O-N 3.15Å; I166-F187 HydrophobicContact CG2-CE1 4.34Å; I166-F187 HydrophobicContact CG2-CZ 4.43Å; I166-Y265 HydrophobicContact CD1-CD1 3.66Å; I166-Y265 HydrophobicContact CD1-CE1 4.15Å; I166-Y265 HydrophobicContact CG1-CD1 3.91Å; I166-Y265 HydrophobicContact CG1-CE1 4.05Å; I166-S266 WeakPolarHBondContact CD1-OG 3.22Å
167D72.4Confident84.6Confident78 Ų7830.5 Ų30.542%0.41716%0.159SC..  trans-78.3124.1173.4-66.8-28.4000110.3D165 N169 N170D165-D167 PolarHBondContact O-N 2.95Å; D167-N169 PolarHBondContact O-N 3.31Å; D167-N170 HydrophobicContact CB-CB 4.46Å; D167-N170 PolarHBondContact O-N 3.3Å
168G67.4Low85.1Confident27 Ų2728 Ų2828%0.27814%0.142SC..THydrogen-bonded Turntrans-65.4-6.4-178.600000115.7M258G168-M258 WeakPolarHBondContact O-CE 3.47Å
169N71.4Confident85.2Confident95 Ų9533.8 Ų33.851%0.50817%0.167SC..THydrogen-bonded Turntrans-105.4-11.7-177.5-65.34.5000113.2D167D167-N169 PolarHBondContact O-N 3.31Å
170N82.5Confident85.1Confident41 Ų4134.7 Ų34.722%0.21917%0.173CC..  trans-112.7125.4-176.8-71-39.3000109.5N110 D167 P172 F187N110-N170 PolarHBondContact ND2-OD1 3.37Å; N110-N170 WeakPolarHBondContact OD1-CB 3.49Å; D167-N170 HydrophobicContact CB-CB 4.46Å; D167-N170 PolarHBondContact O-N 3.3Å; N170-P172 VanDerWaalsContact O-CD 3.24Å; N170-P172 WeakPolarHBondContact O-CD 3.38Å; N170-F187 WeakPolarHBondContact O-CZ 3.41Å
171F89.3Confident85.2Confident0 Ų035.4 Ų35.40%018%0.177CC..EExtended strand (participates in β ladder)trans-112.788.7172.7179.9-153000110.4N110 Y111 I173 F187 I192 L257 M258 S261N110-F171 VanDerWaalsContact OD1-C 3.26Å; N110-F171 PolarHBondContact OD1-N 3.32Å; N110-F171 PolarHBondContact OD1-O 3.48Å; Y111-F171 HydrophobicContact CD1-CD1 4.06Å; Y111-F171 HydrophobicContact CG-CD1 4.38Å; Y111-F171 PolarHBondContact N-O 3.13Å; Y111-F171 WeakPolarHBondContact O-CB 3.4Å; Y111-F171 PolarHBondContact O-N 2.98Å; F171-I173 HydrophobicContact CD1-CD1 3.88Å; F171-I173 HydrophobicContact CD1-CG1 4.12Å; F171-I173 HydrophobicContact CD2-CG1 4.19Å; F171-I173 HydrophobicContact CE1-CD1 3.59Å; F171-I173 HydrophobicContact CE1-CG1 3.99Å; F171-I173 HydrophobicContact CE2-CG1 4.06Å; F171-I173 HydrophobicContact CG-CD1 4.48Å; F171-I173 HydrophobicContact CG-CG1 4.23Å; F171-I173 HydrophobicContact CZ-CD1 3.97Å; F171-I173 HydrophobicContact CZ-CG1 3.97Å; F171-I173 PolarHBondContact O-N 2.86Å; F171-F187 HydrophobicContact CD2-CD2 4.17Å; F171-F187 AromaticContact CD2-CE2 3.88Å; F171-F187 HydrophobicContact CD2-CE2 3.88Å; F171-F187 HydrophobicContact CE2-CD2 4.36Å; F171-F187 HydrophobicContact CE2-CE2 4.42Å; F171-I192 HydrophobicContact CE1-CD1 4.4Å; F171-I192 HydrophobicContact CE2-CD1 4.3Å; F171-I192 HydrophobicContact CZ-CD1 3.57Å; F171-L257 HydrophobicContact CE1-CB 3.78Å; F171-L257 HydrophobicContact CZ-CB 3.85Å; F171-M258 HydrophobicContact CB-CB 3.9Å; F171-M258 HydrophobicContact CB-CG 3.71Å; F171-M258 HydrophobicContact CB-SD 3.99Å; F171-M258 HydrophobicContact CD1-CB 3.94Å; F171-M258 HydrophobicContact CD2-CB 4.09Å; F171-M258 HydrophobicContact CD2-CG 4.25Å; F171-M258 HydrophobicContact CE1-CB 4.45Å; F171-M258 HydrophobicContact CG-CB 3.73Å; F171-M258 HydrophobicContact CG-CG 4Å; F171-S261 WeakPolarHBondContact CE2-OG 3.12Å
172P92.6Very high85.5Confident8 Ų831.3 Ų31.35%0.05216%0.158CC..EExtended strand (participates in β ladder)trans-71.8128.3176.829.4-33.6000110.3R68 W108 T109 N170 F187R68-P172 HydrophobicContact CG-CB 4.06Å; W108-P172 HydrophobicContact CE3-CB 4Å; W108-P172 HydrophobicContact CZ3-CB 3.79Å; W108-P172 HydrophobicContact CZ3-CG 4.5Å; T109-P172 CarbonylContact O-C 3.56Å; T109-P172 VanDerWaalsContact O-CA 3.25Å; T109-P172 WeakPolarHBondContact O-CA 3.49Å; N170-P172 VanDerWaalsContact O-CD 3.24Å; N170-P172 WeakPolarHBondContact O-CD 3.38Å; P172-F187 VanDerWaalsContact CD-CE1 3.48Å; P172-F187 HydrophobicContact CG-CD1 3.44Å; P172-F187 VanDerWaalsContact CG-CD1 3.44Å; P172-F187 HydrophobicContact CG-CD2 4.41Å; P172-F187 HydrophobicContact CG-CE1 3.61Å; P172-F187 HydrophobicContact CG-CG 3.89Å; P172-F187 HydrophobicContact CG-CZ 4.18Å; P172-F187 PolarHBondContact O-N 2.87Å
173I93.2Very high85.7Confident0 Ų033 Ų330%017%0.165CC..EExtended strand (participates in β ladder)trans-121.4124.1179.6-54.3-175.9000109W108 T109 F171 F184 Y185 I192 F250W108-I173 WeakPolarHBondContact CA-O 3.48Å; W108-I173 VanDerWaalsContact CE3-C 3.49Å; T109-I173 PolarHBondContact N-O 3.19Å; T109-I173 PolarHBondContact O-N 3.39Å; T109-I173 PolarHBondContact OG1-O 2.83Å; F171-I173 HydrophobicContact CD1-CD1 3.88Å; F171-I173 HydrophobicContact CD1-CG1 4.12Å; F171-I173 HydrophobicContact CD2-CG1 4.19Å; F171-I173 HydrophobicContact CE1-CD1 3.59Å; F171-I173 HydrophobicContact CE1-CG1 3.99Å; F171-I173 HydrophobicContact CE2-CG1 4.06Å; F171-I173 HydrophobicContact CG-CD1 4.48Å; F171-I173 HydrophobicContact CG-CG1 4.23Å; F171-I173 HydrophobicContact CZ-CD1 3.97Å; F171-I173 HydrophobicContact CZ-CG1 3.97Å; F171-I173 PolarHBondContact O-N 2.86Å; I173-F184 HydrophobicContact CG2-CB 4.28Å; I173-F184 HydrophobicContact CG2-CD1 3.83Å; I173-Y185 WeakPolarHBondContact CA-O 3.28Å; I173-I192 HydrophobicContact CD1-CD1 4.43Å; I173-I192 HydrophobicContact CG2-CD1 4.36Å; I173-F250 HydrophobicContact CD1-CD1 3.71Å; I173-F250 HydrophobicContact CD1-CE1 3.43Å; I173-F250 VanDerWaalsContact CD1-CE1 3.43Å; I173-F250 HydrophobicContact CD1-CZ 4.06Å
174L95.2Very high86Confident0 Ų032.2 Ų32.20%016%0.161CC..EExtended strand (participates in β ladder)trans-92.3122.3172.7178.367.4000109.3T66 F85 L106 W108 V176 F184 Y185T66-L174 HydrophobicContact CG2-CD1 4.06Å; F85-L174 HydrophobicContact CE1-CD2 3.89Å; F85-L174 HydrophobicContact CZ-CD2 3.55Å; L106-L174 HydrophobicContact CD1-CD1 3.73Å; L106-L174 HydrophobicContact CD1-CD2 4.35Å; L106-L174 HydrophobicContact CD1-CG 4.27Å; L106-L174 HydrophobicContact CG-CD1 4.17Å; W108-L174 HydrophobicContact CD2-CB 3.94Å; W108-L174 HydrophobicContact CD2-CD1 3.94Å; W108-L174 HydrophobicContact CE3-CB 3.79Å; W108-L174 HydrophobicContact CG-CD1 4.02Å; W108-L174 HydrophobicContact CH2-CB 4.06Å; W108-L174 HydrophobicContact CZ2-CB 4.2Å; W108-L174 HydrophobicContact CZ3-CB 3.82Å; L174-V176 HydrophobicContact CD2-CG2 4.02Å; L174-V176 HydrophobicContact CG-CG2 3.93Å; L174-F184 CarbonylContact O-C 3.51Å; L174-F184 WeakPolarHBondContact O-CA 3.4Å; L174-Y185 PolarHBondContact N-O 3.36Å; L174-Y185 PolarHBondContact O-N 3.09Å
175T93.8Very high86.6Confident2 Ų227 Ų271%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-98.8126.9171.7-50.10000108.6L106 L107 V182 Y183 F184L106-T175 WeakPolarHBondContact CA-O 3.46Å; L107-T175 PolarHBondContact N-O 2.9Å; L107-T175 PolarHBondContact O-N 2.87Å; T175-V182 HydrophobicContact CG2-CG1 3.97Å; T175-Y183 CarbonylContact C-O 3.55Å; T175-Y183 WeakPolarHBondContact CA-O 3.49Å; T175-F184 HydrophobicContact CG2-CD1 4.18Å; T175-F184 HydrophobicContact CG2-CE1 3.74Å; T175-F184 HydrophobicContact CG2-CZ 4.33Å; T175-F184 VanDerWaalsContact OG1-CE1 3.26Å; T175-F184 WeakPolarHBondContact OG1-CE1 3.28Å
176V94.3Very high87.3Confident0 Ų025.1 Ų25.10%013%0.131CC..EExtended strand (participates in β ladder)trans-123.6129.1177.5-1700000108.3F99 I103 Y105 L106 L174 V182 Y183 Y185F99-V176 HydrophobicContact CE1-CB 4.45Å; F99-V176 HydrophobicContact CE1-CG1 4.07Å; F99-V176 HydrophobicContact CE2-CG1 4.15Å; F99-V176 HydrophobicContact CZ-CB 4.19Å; F99-V176 HydrophobicContact CZ-CG1 3.85Å; F99-V176 HydrophobicContact CZ-CG2 4.08Å; I103-V176 HydrophobicContact CD1-CG1 3.66Å; I103-V176 HydrophobicContact CG1-CG1 4.24Å; I103-V176 HydrophobicContact CG2-CG1 3.74Å; Y105-V176 WeakPolarHBondContact O-CA 3.39Å; L106-V176 HydrophobicContact CD1-CB 4.4Å; L106-V176 HydrophobicContact CD1-CG1 4.27Å; L106-V176 HydrophobicContact CD1-CG2 3.78Å; L174-V176 HydrophobicContact CD2-CG2 4.02Å; L174-V176 HydrophobicContact CG-CG2 3.93Å; V176-V182 CarbonylContact O-C 3.49Å; V176-V182 WeakPolarHBondContact O-CA 3.42Å; V176-Y183 PolarHBondContact N-O 2.85Å; V176-Y183 PolarHBondContact O-N 3.04Å; V176-Y185 HydrophobicContact CG2-CD2 4.03Å; V176-Y185 HydrophobicContact CG2-CE2 4.05Å
177Y91.9Very high88.1Confident1 Ų124.8 Ų24.80%0.00413%0.129CC..EExtended strand (participates in β ladder)trans-111.3124.8168.7-169.7-83.3000109.3D104 Y105 N180 T181 V182 L213 I227D104-Y177 HydrophobicContact CB-CD1 3.93Å; D104-Y177 PolarHBondContact N-O 3.29Å; Y105-Y177 PolarHBondContact N-O 3.04Å; Y105-Y177 PolarHBondContact O-N 2.7Å; Y177-N180 WeakPolarHBondContact OH-CA 3.44Å; Y177-N180 PolarHBondContact OH-OD1 3.04Å; Y177-T181 WeakPolarHBondContact CA-O 3.38Å; Y177-V182 HydrophobicContact CD2-CG2 3.62Å; Y177-V182 HydrophobicContact CE2-CG2 4.03Å; Y177-L213 HydrophobicContact CD1-CB 4.28Å; Y177-L213 HydrophobicContact CD1-CD1 4.46Å; Y177-L213 HydrophobicContact CD1-CD2 3.76Å; Y177-L213 HydrophobicContact CD1-CG 4.41Å; Y177-L213 HydrophobicContact CD2-CD1 4.31Å; Y177-L213 HydrophobicContact CD2-CD2 4.45Å; Y177-L213 HydrophobicContact CE1-CB 3.98Å; Y177-L213 HydrophobicContact CE1-CD1 4.26Å; Y177-L213 HydrophobicContact CE1-CD2 4.24Å; Y177-L213 HydrophobicContact CE1-CG 4.4Å; Y177-L213 HydrophobicContact CE2-CD1 4.15Å; Y177-L213 HydrophobicContact CG-CD1 4.45Å; Y177-L213 HydrophobicContact CG-CD2 3.84Å; Y177-I227 HydrophobicContact CE2-CG2 4.12Å
178S90.6Very high89.1Confident2 Ų221.1 Ų21.11%0.01411%0.109CC..EExtended strand (participates in β ladder)trans-147.6131.4172-170.20000109.8S101 T102 N180 T181S101-S178 PolarHBondContact O-OG 2.96Å; S101-S178 PolarHBondContact OG-OG 2.94Å; T102-S178 PolarHBondContact O-OG 2.89Å; S178-N180 PolarHBondContact O-N 3.32Å; S178-T181 PolarHBondContact N-O 3.11Å; S178-T181 PolarHBondContact O-N 3.17Å
179K86Confident90.4Very high145 Ų14520.2 Ų20.263%0.6310%0.099SC*.THydrogen-bonded Turntrans48.356.5174.2-162.9-178.5-174.1179.10112.3S101 D104 T181S101-K179 WeakPolarHBondContact OG-CB 3.4Å; D104-K179 PolarHBondContact OD2-N 3.44Å; K179-T181 PolarHBondContact O-N 2.98Å; K179-T181 VanDerWaalsContact O-N 3.11Å; K179-T181 PolarHBondContact O-OG1 2.86Å
180N84.4Confident91.5Very high38 Ų3815.9 Ų15.920%0.2038%0.075CC..THydrogen-bonded Turntrans64.410.3178.3-58.8-12.3000115.6Y177 S178 N196 L197 H198Y177-N180 WeakPolarHBondContact OH-CA 3.44Å; Y177-N180 PolarHBondContact OH-OD1 3.04Å; S178-N180 PolarHBondContact O-N 3.32Å; N180-N196 CarbonylContact O-C 3.28Å; N180-N196 WeakPolarHBondContact O-CA 3.2Å; N180-L197 PolarHBondContact O-N 3.19Å; N180-H198 WeakPolarHBondContact CB-ND1 3.48Å; N180-H198 PolarHBondContact ND2-CE1 2.85Å; N180-H198 VanDerWaalsContact ND2-CE1 3.29Å; N180-H198 PolarHBondContact ND2-ND1 2.77Å
181T88.2Confident92Very high18 Ų1814.9 Ų14.911%0.117%0.069CC..EExtended strand (participates in β ladder)trans-115.4127.1179.4-51.90000110.1Y177 S178 K179 Y183 A194 Y195Y177-T181 WeakPolarHBondContact CA-O 3.38Å; S178-T181 PolarHBondContact N-O 3.11Å; S178-T181 PolarHBondContact O-N 3.17Å; K179-T181 PolarHBondContact O-N 2.98Å; K179-T181 VanDerWaalsContact O-N 3.11Å; K179-T181 PolarHBondContact O-OG1 2.86Å; T181-Y183 HydrophobicContact CG2-CD2 4.16Å; T181-Y183 HydrophobicContact CG2-CE1 3.98Å; T181-Y183 HydrophobicContact CG2-CE2 3.55Å; T181-Y183 VanDerWaalsContact CG2-CZ 3.44Å; T181-A194 HydrophobicContact CG2-CB 4.46Å; T181-Y195 CarbonylContact C-O 3.53Å; T181-Y195 VanDerWaalsContact CA-O 3.28Å; T181-Y195 WeakPolarHBondContact CA-O 3.45Å
182V89.9Confident92.1Very high1 Ų114.9 Ų14.91%0.0067%0.069CC..EExtended strand (participates in β ladder)trans-92.8128.9171.6-177.20000108.3T175 V176 Y177 F184 A194 Y195 L225 I227T175-V182 HydrophobicContact CG2-CG1 3.97Å; V176-V182 CarbonylContact O-C 3.49Å; V176-V182 WeakPolarHBondContact O-CA 3.42Å; Y177-V182 HydrophobicContact CD2-CG2 3.62Å; Y177-V182 HydrophobicContact CE2-CG2 4.03Å; V182-F184 HydrophobicContact CG1-CD2 4.4Å; V182-F184 HydrophobicContact CG1-CE2 3.94Å; V182-F184 HydrophobicContact CG1-CZ 4.13Å; V182-A194 CarbonylContact O-C 3.58Å; V182-A194 WeakPolarHBondContact O-CA 3.35Å; V182-Y195 PolarHBondContact N-O 3.16Å; V182-Y195 PolarHBondContact O-N 3.5Å; V182-L225 HydrophobicContact CG1-CD2 3.95Å; V182-L225 HydrophobicContact CG2-CD2 4.29Å; V182-I227 HydrophobicContact CG2-CD1 3.33Å
183Y92.3Very high92Very high39 Ų3914.5 Ų14.515%0.1537%0.067CC..EExtended strand (participates in β ladder)trans-115.5140.4173.5-56.6-96.6000110.1F99 T175 V176 T181 Y185 A193 A194F99-Y183 HydrophobicContact CD1-CD2 4.26Å; F99-Y183 HydrophobicContact CD1-CE2 4.02Å; F99-Y183 HydrophobicContact CE1-CD1 4.33Å; F99-Y183 AromaticContact CE1-CD2 3.77Å; F99-Y183 HydrophobicContact CE1-CD2 3.77Å; F99-Y183 AromaticContact CE1-CE2 3.96Å; F99-Y183 HydrophobicContact CE1-CE2 3.96Å; F99-Y183 AromaticContact CE1-CG 3.97Å; F99-Y183 HydrophobicContact CE1-CG 3.97Å; T175-Y183 CarbonylContact C-O 3.55Å; T175-Y183 WeakPolarHBondContact CA-O 3.49Å; V176-Y183 PolarHBondContact N-O 2.85Å; V176-Y183 PolarHBondContact O-N 3.04Å; T181-Y183 HydrophobicContact CG2-CD2 4.16Å; T181-Y183 HydrophobicContact CG2-CE1 3.98Å; T181-Y183 HydrophobicContact CG2-CE2 3.55Å; T181-Y183 VanDerWaalsContact CG2-CZ 3.44Å; Y183-Y185 VanDerWaalsContact CB-CE2 3.48Å; Y183-Y185 HydrophobicContact CG-CE2 4.25Å; Y183-A193 CarbonylContact C-O 3.6Å; Y183-A193 VanDerWaalsContact CA-O 3.27Å; Y183-A193 WeakPolarHBondContact CA-O 3.39Å; Y183-A194 HydrophobicContact CD1-CB 3.59Å; Y183-A194 HydrophobicContact CE1-CB 3.64Å
184F93.2Very high91.8Very high0 Ų015.4 Ų15.40%07%0.074CC..EExtended strand (participates in β ladder)trans-115.2128.7170.1-71-70.2000110I173 L174 T175 V182 I192 A193 L218 L225 F250 L573I173-F184 HydrophobicContact CG2-CB 4.28Å; I173-F184 HydrophobicContact CG2-CD1 3.83Å; L174-F184 CarbonylContact O-C 3.51Å; L174-F184 WeakPolarHBondContact O-CA 3.4Å; T175-F184 HydrophobicContact CG2-CD1 4.18Å; T175-F184 HydrophobicContact CG2-CE1 3.74Å; T175-F184 HydrophobicContact CG2-CZ 4.33Å; T175-F184 VanDerWaalsContact OG1-CE1 3.26Å; T175-F184 WeakPolarHBondContact OG1-CE1 3.28Å; V182-F184 HydrophobicContact CG1-CD2 4.4Å; V182-F184 HydrophobicContact CG1-CE2 3.94Å; V182-F184 HydrophobicContact CG1-CZ 4.13Å; F184-I192 HydrophobicContact CB-CB 4Å; F184-I192 PolarHBondContact O-N 2.94Å; F184-A193 HydrophobicContact CD2-CB 4.1Å; F184-A193 PolarHBondContact N-O 2.75Å; F184-L218 HydrophobicContact CE1-CD2 4.35Å; F184-L225 HydrophobicContact CE2-CD2 4.33Å; F184-L225 HydrophobicContact CZ-CD1 4.44Å; F184-L225 HydrophobicContact CZ-CD2 3.92Å; F184-F250 HydrophobicContact CB-CZ 4.32Å; F184-F250 HydrophobicContact CD1-CZ 4.14Å; F184-F250 HydrophobicContact CD2-CZ 4.27Å; F184-F250 HydrophobicContact CE1-CE2 4.41Å; F184-F250 HydrophobicContact CE1-CZ 4.48Å; F184-F250 HydrophobicContact CE2-CE2 4.44Å; F184-F250 AromaticContact CG-CZ 3.99Å; F184-F250 HydrophobicContact CG-CZ 3.99Å; F184-F250 HydrophobicContact CZ-CE2 4.36Å; F184-L573 HydrophobicContact CE2-CD1 4.28Å; F184-L573 HydrophobicContact CE2-CD2 3.95Å; F184-L573 HydrophobicContact CE2-CG 4.5Å
185Y94.5Very high91.3Very high17 Ų1715.5 Ų15.57%0.0678%0.075CC..EExtended strand (participates in β ladder)trans-122.9118.6175.9-64.1-88.9000111.9L97 F99 I173 L174 V176 Y183 G188 F190 E191L97-Y185 HydrophobicContact CD1-CD2 4.38Å; L97-Y185 HydrophobicContact CD1-CE1 4.47Å; L97-Y185 HydrophobicContact CD1-CE2 4.3Å; L97-Y185 HydrophobicContact CD1-CG 4.49Å; F99-Y185 HydrophobicContact CE1-CE2 4.23Å; F99-Y185 AromaticContact CZ-CE2 3.75Å; F99-Y185 HydrophobicContact CZ-CE2 3.75Å; I173-Y185 WeakPolarHBondContact CA-O 3.28Å; L174-Y185 PolarHBondContact N-O 3.36Å; L174-Y185 PolarHBondContact O-N 3.09Å; V176-Y185 HydrophobicContact CG2-CD2 4.03Å; V176-Y185 HydrophobicContact CG2-CE2 4.05Å; Y183-Y185 VanDerWaalsContact CB-CE2 3.48Å; Y183-Y185 HydrophobicContact CG-CE2 4.25Å; Y185-G188 PolarHBondContact O-N 2.88Å; Y185-F190 CarbonylContact C-O 3.51Å; Y185-F190 WeakPolarHBondContact CA-O 3.32Å; Y185-E191 HydrophobicContact CD1-CB 4.04Å; Y185-E191 HydrophobicContact CD1-CG 4.25Å; Y185-E191 HydrophobicContact CE1-CB 3.74Å; Y185-E191 HydrophobicContact CE1-CG 3.64Å
186G93.3Very high90.9Very high0 Ų018.4 Ų18.40%09%0.09CC..EExtended strand (participates in β ladder)trans-72.4127171.200000110.9G188 V189 F190G186-G188 PolarHBondContact O-N 3.2Å; G186-V189 PolarHBondContact O-N 3.34Å; G186-F190 PolarHBondContact N-O 3.2Å; G186-F190 PolarHBondContact O-N 3.49Å
187F92.8Very high90.3Very high9 Ų918.5 Ų18.54%0.0399%0.09CC..THydrogen-bonded Turntrans50.221.9-170.7-66.8-97.2000113.4W108 I166 N170 F171 P172 V189 Y265W108-F187 VanDerWaalsContact CH2-C 3.47Å; I166-F187 HydrophobicContact CG2-CE1 4.34Å; I166-F187 HydrophobicContact CG2-CZ 4.43Å; N170-F187 WeakPolarHBondContact O-CZ 3.41Å; F171-F187 HydrophobicContact CD2-CD2 4.17Å; F171-F187 AromaticContact CD2-CE2 3.88Å; F171-F187 HydrophobicContact CD2-CE2 3.88Å; F171-F187 HydrophobicContact CE2-CD2 4.36Å; F171-F187 HydrophobicContact CE2-CE2 4.42Å; P172-F187 VanDerWaalsContact CD-CE1 3.48Å; P172-F187 HydrophobicContact CG-CD1 3.44Å; P172-F187 VanDerWaalsContact CG-CD1 3.44Å; P172-F187 HydrophobicContact CG-CD2 4.41Å; P172-F187 HydrophobicContact CG-CE1 3.61Å; P172-F187 HydrophobicContact CG-CG 3.89Å; P172-F187 HydrophobicContact CG-CZ 4.18Å; P172-F187 PolarHBondContact O-N 2.87Å; F187-V189 PolarHBondContact O-N 2.65Å; F187-Y265 HydrophobicContact CB-CD2 3.74Å; F187-Y265 HydrophobicContact CB-CE2 4.49Å; F187-Y265 HydrophobicContact CB-CG 3.89Å; F187-Y265 HydrophobicContact CG-CG 4.43Å; F187-Y265 WeakPolarHBondContact O-CD2 3.21Å
188G93.9Very high89.5Confident0 Ų020 Ų200%010%0.098CC..THydrogen-bonded Turntrans734.6-178.900000114.9W108 Y185 G186W108-G188 VanDerWaalsContact CH2-N 3.27Å; Y185-G188 PolarHBondContact O-N 2.88Å; G186-G188 PolarHBondContact O-N 3.2Å
189V94.4Very high88.5Confident9 Ų922.1 Ų22.16%0.05511%0.112CC..THydrogen-bonded Turntrans-120.7-50.3-175174.10000111.5G186 F187 E191 Y265 K268 I560G186-V189 PolarHBondContact O-N 3.34Å; F187-V189 PolarHBondContact O-N 2.65Å; V189-E191 PolarHBondContact O-N 3.43Å; V189-Y265 HydrophobicContact CB-CD2 4.38Å; V189-Y265 HydrophobicContact CG2-CD2 3.67Å; V189-Y265 HydrophobicContact CG2-CE2 4.3Å; V189-K268 HydrophobicContact CG1-CB 3.86Å; V189-K268 HydrophobicContact CG1-CG 4.06Å; V189-K268 HydrophobicContact CG2-CG 4.35Å; V189-I560 HydrophobicContact CG1-CD1 4.01Å; V189-I560 HydrophobicContact CG1-CG2 3.93Å; V189-I560 WeakPolarHBondContact O-CG2 3.33Å
190F94.3Very high86.8Confident4 Ų419.7 Ų19.72%0.01812%0.12CC..EExtended strand (participates in β ladder)trans-81.7116.8-174.6-174.6-106.4000111.3Y185 G186 I192 L257 L260 S261 A264 I393Y185-F190 CarbonylContact C-O 3.51Å; Y185-F190 WeakPolarHBondContact CA-O 3.32Å; G186-F190 PolarHBondContact N-O 3.2Å; G186-F190 PolarHBondContact O-N 3.49Å; F190-I192 HydrophobicContact CD1-CG1 4.02Å; F190-I192 PolarHBondContact O-N 3.21Å; F190-I192 VanDerWaalsContact O-N 3.16Å; F190-L257 HydrophobicContact CE1-CD2 4.43Å; F190-L260 HydrophobicContact CE1-CB 4.12Å; F190-L260 HydrophobicContact CE2-CB 4.28Å; F190-L260 HydrophobicContact CZ-CB 3.78Å; F190-L260 HydrophobicContact CZ-CD1 4.03Å; F190-S261 WeakPolarHBondContact CD1-OG 3.32Å; F190-A264 HydrophobicContact CB-CB 3.91Å; F190-A264 HydrophobicContact CD2-CB 3.65Å; F190-A264 HydrophobicContact CG-CB 4.16Å; F190-I393 HydrophobicContact CE2-CD1 4.14Å; F190-I393 HydrophobicContact CZ-CD1 3.69Å
191E93.5Very high85.1Confident19 Ų1923.8 Ų23.89%0.08915%0.146CC..EExtended strand (participates in β ladder)trans-77.1104.1-176.2-164.5177.5178.800110Y185 V189 I560 K561 L562 R570Y185-E191 HydrophobicContact CD1-CB 4.04Å; Y185-E191 HydrophobicContact CD1-CG 4.25Å; Y185-E191 HydrophobicContact CE1-CB 3.74Å; Y185-E191 HydrophobicContact CE1-CG 3.64Å; V189-E191 PolarHBondContact O-N 3.43Å; E191-I560 PolarHBondContact N-O 3.11Å; E191-I560 VanDerWaalsContact N-O 3.09Å; E191-K561 WeakPolarHBondContact OE2-CA 3.14Å; E191-K561 WeakPolarHBondContact OE2-CB 3.39Å; E191-L562 HydrophobicContact CB-CG 4.12Å; E191-L562 HydrophobicContact CG-CB 4.48Å; E191-L562 HydrophobicContact CG-CD1 3.66Å; E191-L562 HydrophobicContact CG-CG 3.68Å; E191-L562 PolarHBondContact OE2-N 3.16Å; E191-R570 PolarHBondContact O-NH1 3.26Å
192I92Very high83.5Confident0 Ų024.7 Ų24.70%015%0.15CC..EExtended strand (participates in β ladder)trans-78.9-46.6-176.1-59.8170.8000109.9F171 I173 F184 F190 F250 L257 I569 R570 C572F171-I192 HydrophobicContact CE1-CD1 4.4Å; F171-I192 HydrophobicContact CE2-CD1 4.3Å; F171-I192 HydrophobicContact CZ-CD1 3.57Å; I173-I192 HydrophobicContact CD1-CD1 4.43Å; I173-I192 HydrophobicContact CG2-CD1 4.36Å; F184-I192 HydrophobicContact CB-CB 4Å; F184-I192 PolarHBondContact O-N 2.94Å; F190-I192 HydrophobicContact CD1-CG1 4.02Å; F190-I192 PolarHBondContact O-N 3.21Å; F190-I192 VanDerWaalsContact O-N 3.16Å; I192-F250 HydrophobicContact CD1-CE1 4.03Å; I192-F250 HydrophobicContact CG2-CE1 4.03Å; I192-F250 HydrophobicContact CG2-CZ 4.34Å; I192-L257 HydrophobicContact CG2-CD1 4.08Å; I192-L257 HydrophobicContact CG2-CD2 4.05Å; I192-I569 CarbonylContact O-C 3.51Å; I192-R570 WeakPolarHBondContact O-CB 3.36Å; I192-R570 VanDerWaalsContact O-CG 3.29Å; I192-R570 WeakPolarHBondContact O-CG 3.4Å; I192-C572 HydrophobicContact CG2-CB 4.02Å
193A89.8Confident81.9Confident0 Ų028 Ų280%017%0.168CC..EExtended strand (participates in β ladder)trans-154.9150.8-177.600000112.1Y183 F184 I569 C572 L573Y183-A193 CarbonylContact C-O 3.6Å; Y183-A193 VanDerWaalsContact CA-O 3.27Å; Y183-A193 WeakPolarHBondContact CA-O 3.39Å; F184-A193 HydrophobicContact CD2-CB 4.1Å; F184-A193 PolarHBondContact N-O 2.75Å; A193-I569 HydrophobicContact CB-CB 4.24Å; A193-I569 HydrophobicContact CB-CG2 4.12Å; A193-C572 WeakPolarHBondContact CB-SG 3.37Å; A193-L573 HydrophobicContact CB-CD1 4.43Å
194A89.3Confident80.2Confident19 Ų1931.5 Ų31.516%0.15719%0.193CC..EExtended strand (participates in β ladder)trans-133.8112.6168.200000108.3T181 V182 Y183 L562 T568T181-A194 HydrophobicContact CG2-CB 4.46Å; V182-A194 CarbonylContact O-C 3.58Å; V182-A194 WeakPolarHBondContact O-CA 3.35Å; Y183-A194 HydrophobicContact CD1-CB 3.59Å; Y183-A194 HydrophobicContact CE1-CB 3.64Å; A194-L562 HydrophobicContact CB-CD1 3.68Å; A194-L562 VanDerWaalsContact N-CD1 3.31Å; A194-T568 PolarHBondContact N-O 3.01Å
195Y85Confident78.7Confident3 Ų332.9 Ų32.91%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-124.1118.1-175.2176.7-114.7000111.4T181 V182 L197 L202 I245 L573 I575 Q578T181-Y195 CarbonylContact C-O 3.53Å; T181-Y195 VanDerWaalsContact CA-O 3.28Å; T181-Y195 WeakPolarHBondContact CA-O 3.45Å; V182-Y195 PolarHBondContact N-O 3.16Å; V182-Y195 PolarHBondContact O-N 3.5Å; Y195-L197 HydrophobicContact CE1-CD1 4.17Å; Y195-L202 WeakPolarHBondContact OH-CD1 3.42Å; Y195-I245 HydrophobicContact CD1-CD1 4.26Å; Y195-I245 HydrophobicContact CE1-CD1 3.94Å; Y195-L573 HydrophobicContact CG-CD1 4.15Å; Y195-I575 HydrophobicContact CD2-CD1 3.54Å; Y195-I575 HydrophobicContact CD2-CG1 3.9Å; Y195-I575 HydrophobicContact CE2-CB 4.34Å; Y195-I575 HydrophobicContact CE2-CD1 3.57Å; Y195-I575 HydrophobicContact CE2-CG1 3.69Å; Y195-I575 HydrophobicContact CE2-CG2 3.65Å; Y195-I575 WeakPolarHBondContact OH-CG2 3.25Å; Y195-Q578 PolarHBondContact OH-OE1 2.75Å
196N85.5Confident77.1Confident63 Ų6337 Ų3734%0.33722%0.224SC..EExtended strand (participates in β ladder)trans-86117.1173.3-171.1-45.4000109.9N180 H198 S199N180-N196 CarbonylContact O-C 3.28Å; N180-N196 WeakPolarHBondContact O-CA 3.2Å; N196-H198 PolarHBondContact O-N 3.35Å; N196-H198 PolarHBondContact OD1-N 2.96Å; N196-S199 PolarHBondContact O-N 2.83Å
197L80.6Confident75.8Confident1 Ų138.8 Ų38.81%0.00523%0.232CC..THydrogen-bonded Turntrans-60.7-28.6-176.7-173.263.4000113.3N180 Y195 I227 H243 I245N180-L197 PolarHBondContact O-N 3.19Å; Y195-L197 HydrophobicContact CE1-CD1 4.17Å; L197-I227 HydrophobicContact CD1-CD1 4.41Å; L197-I227 HydrophobicContact CD2-CG2 4.1Å; L197-H243 HydrophobicContact CD1-CB 4.3Å; L197-I245 HydrophobicContact CD1-CD1 4.18Å
198H76.3Confident74.2Confident33 Ų3342.4 Ų42.415%0.15326%0.255CS..THydrogen-bonded Turntrans-104.323.2-174.7-61.474.6000112.8N180 N196 A200 E229N180-H198 WeakPolarHBondContact CB-ND1 3.48Å; N180-H198 PolarHBondContact ND2-CE1 2.85Å; N180-H198 VanDerWaalsContact ND2-CE1 3.29Å; N180-H198 PolarHBondContact ND2-ND1 2.77Å; N196-H198 PolarHBondContact O-N 3.35Å; N196-H198 PolarHBondContact OD1-N 2.96Å; H198-A200 PolarHBondContact O-N 2.83Å; H198-E229 IonicContact CE1-OE1 3.64Å; H198-E229 IonicContact CE1-OE2 3.4Å; H198-E229 PolarHBondContact CE1-OE2 3.43Å; H198-E229 IonicContact NE2-OE1 2.78Å; H198-E229 IonicContact NE2-OE2 2.84Å; H198-E229 PolarHBondContact NE2-OE2 3.44Å
199S68.4Low72.6Confident46 Ų4644.7 Ų44.732%0.32228%0.278SS..  trans-54.5142.9172.8-172.40000110.5N196 T201 L202N196-S199 PolarHBondContact O-N 2.83Å; S199-T201 PolarHBondContact O-N 2.98Å; S199-L202 PolarHBondContact O-N 2.91Å; S199-L202 VanDerWaalsContact O-N 3.08Å
200A50.3Low71.3Confident95 Ų9550.8 Ų50.879%0.78532%0.316SS*.THydrogen-bonded Turntrans-53.3-18-165.500000115.6H198 L202H198-A200 PolarHBondContact O-N 2.83Å; A200-L202 VanDerWaalsContact C-N 3.25Å; A200-L202 PolarHBondContact O-N 3.11Å
201T49.6Very low70.4Confident124 Ų12451.4 Ų51.476%0.76132%0.321SS*.THydrogen-bonded Turntrans-72.5-10.8179.141.70000114.9S199S199-T201 PolarHBondContact O-N 2.98Å
202L54Low69.8Low36 Ų3656.2 Ų56.219%0.18834%0.341CS..SBendtrans-1293.4-161.7-97164.2000114.6Y195 S199 A200 T204 I575 Q578 R580Y195-L202 WeakPolarHBondContact OH-CD1 3.42Å; S199-L202 PolarHBondContact O-N 2.91Å; S199-L202 VanDerWaalsContact O-N 3.08Å; A200-L202 VanDerWaalsContact C-N 3.25Å; A200-L202 PolarHBondContact O-N 3.11Å; L202-T204 PolarHBondContact O-N 2.88Å; L202-T204 VanDerWaalsContact O-N 3.11Å; L202-I575 HydrophobicContact CD1-CG2 4.39Å; L202-Q578 VanDerWaalsContact CD1-OE1 3.29Å; L202-R580 VanDerWaalsContact O-CZ 3.23Å; L202-R580 PolarHBondContact O-NH1 2.82Å; L202-R580 PolarHBondContact O-NH2 2.8Å
203N56.3Low69.4Low72 Ų7257.3 Ų57.339%0.38535%0.347SS..  trans-86.677.8-177.5-75.9-7.7000112.3
204T56.8Low69.1Low112 Ų11259 Ų5969%0.68736%0.357SS*.  trans-89-18.9171.150.10000113.7L202L202-T204 PolarHBondContact O-N 2.88Å; L202-T204 VanDerWaalsContact O-N 3.11Å
205L61.4Low68.8Low28 Ų2858.8 Ų58.815%0.14735%0.354CS..SBendtrans-957.4-173.3-71.1161.2000114.2H207 F231 V241 A775L205-H207 PolarHBondContact O-N 2.81Å; L205-F231 HydrophobicContact CB-CE2 4.36Å; L205-F231 HydrophobicContact CB-CZ 4.22Å; L205-F231 HydrophobicContact CD1-CZ 4.07Å; L205-V241 HydrophobicContact CD1-CG2 4.31Å; L205-A775 HydrophobicContact CD2-CB 3.95Å
206N61Low68.9Low105 Ų10558.9 Ų58.956%0.56136%0.355SS*.  trans39.865.3176.1-65.7-19.8000113.4V234N206-V234 HydrophobicContact CB-CG2 3.59Å; N206-V234 WeakPolarHBondContact O-CG2 3.42Å; N206-V234 PolarHBondContact O-N 3.48Å
207H65.5Low68.9Low37 Ų3756.6 Ų56.617%0.17134%0.343CS..BIsolated β-bridgetrans-67.9132.9178-46.8-94.4000110.3L205 F231L205-H207 PolarHBondContact O-N 2.81Å; H207-F231 HydrophobicContact CB-CD2 4.46Å; H207-F231 AromaticContact CE1-CD1 3.56Å; H207-F231 AromaticContact CE1-CD2 3.71Å; H207-F231 AromaticContact CE1-CE1 3.23Å; H207-F231 WeakPolarHBondContact CE1-CE1 3.42Å; H207-F231 AromaticContact CE1-CE2 3.36Å; H207-F231 WeakPolarHBondContact CE1-CE2 3.28Å; H207-F231 AromaticContact CE1-CG 3.8Å; H207-F231 AromaticContact CE1-CZ 3.13Å; H207-F231 WeakPolarHBondContact CE1-CZ 3.36Å; H207-F231 AromaticContact ND1-CD1 3.37Å; H207-F231 WeakPolarHBondContact ND1-CD1 3.33Å; H207-F231 AromaticContact ND1-CD2 2.95Å; H207-F231 WeakPolarHBondContact ND1-CD2 3.33Å; H207-F231 AromaticContact ND1-CE1 3.49Å; H207-F231 WeakPolarHBondContact ND1-CE1 3.4Å; H207-F231 AromaticContact ND1-CE2 3.06Å; H207-F231 WeakPolarHBondContact ND1-CE2 3.17Å; H207-F231 AromaticContact ND1-CG 3.13Å; H207-F231 WeakPolarHBondContact ND1-CG 3.46Å; H207-F231 AromaticContact ND1-CZ 3.34Å; H207-F231 VanDerWaalsContact ND1-CZ 3.34Å; H207-F231 WeakPolarHBondContact ND1-CZ 3.33Å
208T59.8Low69.1Low85 Ų8556.9 Ų56.952%0.52134%0.344SS..  trans-105.14.4178.544.90000114.7L232 N233 V234T208-L232 PolarHBondContact N-O 3.36Å; T208-L232 PolarHBondContact OG1-O 2.68Å; T208-N233 VanDerWaalsContact OG1-C 3.23Å; T208-N233 PolarHBondContact OG1-O 2.81Å; T208-V234 HydrophobicContact CG2-CB 3.6Å; T208-V234 HydrophobicContact CG2-CG1 3.74Å; T208-V234 HydrophobicContact CG2-CG2 3.5Å
209G60.7Low69.5Low48 Ų4855.5 Ų55.550%0.49534%0.338SS..SBendtrans-152.2-174.5-17400000114.1S211G209-S211 PolarHBondContact O-N 2.83Å
210T66.2Low70Confident137 Ų13754.9 Ų54.984%0.8434%0.336SS*.  trans-67.1115.117550.80000109.9
211S76.9Confident71.1Confident17 Ų1752.1 Ų52.112%0.11931%0.307CS..  trans-63.6137.9165.7168.40000110G209 E229G209-S211 PolarHBondContact O-N 2.83Å; S211-E229 WeakPolarHBondContact CB-OE2 3.46Å; S211-E229 WeakPolarHBondContact OG-CB 3.43Å; S211-E229 PolarHBondContact OG-OE2 3.24Å
212K80.1Confident72.6Confident119 Ų11946.3 Ų46.352%0.51727%0.271SS..EExtended strand (participates in β ladder)trans-109.7123.1173.4-177.9-178.4178.3-176.60108.9V214 E229 S230K212-V214 PolarHBondContact O-N 3.43Å; K212-E229 CarbonylContact O-C 3.6Å; K212-E229 WeakPolarHBondContact O-CA 3.24Å; K212-S230 PolarHBondContact N-O 3.31Å; K212-S230 PolarHBondContact O-N 2.93Å; K212-S230 PolarHBondContact O-OG 3.31Å
213L84.7Confident73.9Confident24 Ų2445.2 Ų45.213%0.12627%0.265CS..EExtended strand (participates in β ladder)trans-63.6126.9172.7-175.671.5000110D104 Y105 Y177 I227D104-L213 HydrophobicContact CB-CB 4.3Å; D104-L213 HydrophobicContact CB-CD2 4.08Å; Y105-L213 HydrophobicContact CG-CD2 4.17Å; Y177-L213 HydrophobicContact CD1-CB 4.28Å; Y177-L213 HydrophobicContact CD1-CD1 4.46Å; Y177-L213 HydrophobicContact CD1-CD2 3.76Å; Y177-L213 HydrophobicContact CD1-CG 4.41Å; Y177-L213 HydrophobicContact CD2-CD1 4.31Å; Y177-L213 HydrophobicContact CD2-CD2 4.45Å; Y177-L213 HydrophobicContact CE1-CB 3.98Å; Y177-L213 HydrophobicContact CE1-CD1 4.26Å; Y177-L213 HydrophobicContact CE1-CD2 4.24Å; Y177-L213 HydrophobicContact CE1-CG 4.4Å; Y177-L213 HydrophobicContact CE2-CD1 4.15Å; Y177-L213 HydrophobicContact CG-CD1 4.45Å; Y177-L213 HydrophobicContact CG-CD2 3.84Å; L213-I227 HydrophobicContact CD1-CG2 3.58Å
214V81.9Confident75.3Confident35 Ų3542.2 Ų42.221%0.21225%0.249CC..EExtended strand (participates in β ladder)trans-95-47.5174177.30000109.7K212 T228 S230 V240 V596 L598K212-V214 PolarHBondContact O-N 3.43Å; V214-T228 WeakPolarHBondContact CA-O 3.37Å; V214-T228 HydrophobicContact CB-CG2 4.03Å; V214-T228 WeakPolarHBondContact CB-O 3.28Å; V214-T228 HydrophobicContact CG1-CG2 4.31Å; V214-T228 PolarHBondContact N-O 2.85Å; V214-S230 WeakPolarHBondContact CG2-OG 3.45Å; V214-V240 HydrophobicContact CG2-CG1 4.42Å; V214-V596 HydrophobicContact CG1-CB 4.43Å; V214-V596 HydrophobicContact CG1-CG1 4.03Å; V214-L598 HydrophobicContact CG1-CB 3.89Å; V214-L598 HydrophobicContact CG1-CD1 4.24Å
215S84Confident76.7Confident14 Ų1437 Ų3710%0.09822%0.217CC..EExtended strand (participates in β ladder)trans-157.3154.5178.967.70000112T228 L598S215-T228 PolarHBondContact N-O 3.15Å; S215-T228 VanDerWaalsContact N-O 3.12Å; S215-T228 PolarHBondContact O-N 3.11Å; S215-T228 VanDerWaalsContact OG-CB 3.23Å; S215-T228 WeakPolarHBondContact OG-CB 3.18Å; S215-T228 PolarHBondContact OG-OG1 2.76Å; S215-T228 VanDerWaalsContact OG-OG1 3.07Å; S215-L598 VanDerWaalsContact CB-CD2 3.45Å; S215-L598 WeakPolarHBondContact OG-CD2 3.27Å
216C85.9Confident78Confident5 Ų535.9 Ų35.93%0.03421%0.211CC..EExtended strand (participates in β ladder)trans-133.4135.9168-1770000107.7Y105 L225 L226Y105-C216 HydrophobicContact CD1-CB 3.61Å; Y105-C216 HydrophobicContact CD2-CB 4.01Å; Y105-C216 HydrophobicContact CE1-CB 3.59Å; Y105-C216 HydrophobicContact CE2-CB 3.96Å; Y105-C216 WeakPolarHBondContact CE2-O 3.48Å; Y105-C216 HydrophobicContact CG-CB 3.82Å; Y105-C216 PolarHBondContact OH-O 2.98Å; C216-L225 VanDerWaalsContact SG-CD1 3.57Å; C216-L226 CarbonylContact C-O 3.55Å; C216-L226 VanDerWaalsContact CA-O 3.32Å; C216-L226 WeakPolarHBondContact CA-O 3.17Å
217H86.6Confident79.3Confident16 Ų1630.9 Ų30.97%0.07418%0.184CC..EExtended strand (participates in β ladder)trans-144.2122-178.4-174.586.4000110.7L226 T600 N602H217-L226 HydrophobicContact CB-CB 4.37Å; H217-L226 PolarHBondContact N-O 3.49Å; H217-L226 PolarHBondContact O-N 3.19Å; H217-T600 HydrophobicContact CB-CG2 4.35Å; H217-T600 WeakPolarHBondContact CB-OG1 3.23Å; H217-T600 WeakPolarHBondContact ND1-CB 3.49Å; H217-T600 PolarHBondContact ND1-OG1 3.26Å; H217-N602 PolarHBondContact NE2-OD1 2.75Å
218L85.5Confident80.4Confident6 Ų629.1 Ų29.13%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-95.5129.6171.7-172.665.9000108.8T109 F184 Q222 L225 N602T109-L218 HydrophobicContact CG2-CB 4.34Å; T109-L218 HydrophobicContact CG2-CD2 4.06Å; F184-L218 HydrophobicContact CE1-CD2 4.35Å; L218-Q222 HydrophobicContact CD1-CB 4.38Å; L218-Q222 HydrophobicContact CD2-CB 4.1Å; L218-Q222 HydrophobicContact CD2-CG 3.76Å; L218-Q222 HydrophobicContact CG-CB 4.23Å; L218-Q222 HydrophobicContact CG-CG 4.12Å; L218-L225 HydrophobicContact CB-CD1 4.3Å; L218-L225 HydrophobicContact CD1-CB 4.2Å; L218-L225 HydrophobicContact CD1-CD1 4.24Å; L218-N602 PolarHBondContact O-ND2 2.74Å
219S84.4Confident81.6Confident4 Ų425.1 Ų25.13%0.02815%0.152CC..  trans-59.1155.5176.968.50000111.4E221 Q222 N223 I224S219-E221 VanDerWaalsContact C-N 3.29Å; S219-E221 PolarHBondContact O-N 2.82Å; S219-Q222 WeakPolarHBondContact O-CA 3.48Å; S219-Q222 PolarHBondContact O-N 3.33Å; S219-Q222 PolarHBondContact OG-N 2.93Å; S219-N223 WeakPolarHBondContact CB-OD1 3.45Å; S219-N223 PolarHBondContact OG-N 3.29Å; S219-N223 VanDerWaalsContact OG-N 3.09Å; S219-N223 PolarHBondContact OG-OD1 2.79Å; S219-I224 PolarHBondContact N-O 2.95Å; S219-I224 PolarHBondContact OG-N 3.39Å; S219-I224 VanDerWaalsContact OG-N 3.09Å; S219-I224 PolarHBondContact OG-O 3.4Å
220A77.8Confident82.6Confident33 Ų3323.1 Ų23.127%0.27313%0.13SC..THydrogen-bonded Turntrans-61.2-36.9-179.300000112.9Q222 N602 F604 P625A220-Q222 PolarHBondContact O-N 3.47Å; A220-N602 HydrophobicContact CB-CB 3.81Å; A220-N602 VanDerWaalsContact N-CG 3.35Å; A220-N602 PolarHBondContact N-ND2 2.9Å; A220-N602 PolarHBondContact N-OD1 2.88Å; A220-F604 HydrophobicContact CB-CE1 4.02Å; A220-F604 HydrophobicContact CB-CZ 3.72Å; A220-P625 HydrophobicContact CB-CB 4.11Å; A220-P625 HydrophobicContact CB-CG 3.61Å
221E74.7Confident83.3Confident37 Ų3716.7 Ų16.717%0.1739%0.091CC..THydrogen-bonded Turntrans-79-1.9173.9-56.5-166.4166.200113S219 N223 P625S219-E221 VanDerWaalsContact C-N 3.29Å; S219-E221 PolarHBondContact O-N 2.82Å; E221-N223 PolarHBondContact O-N 2.81Å; E221-N223 VanDerWaalsContact O-N 3.14Å; E221-P625 HydrophobicContact CG-CG 4.05Å
222Q79.4Confident83.5Confident3 Ų318.4 Ų18.41%0.01410%0.098CC..SBendtrans54.226.5-177-53.4-172-5.800114.9T109 N110 Y111 L218 S219 A220 C247 F250T109-Q222 PolarHBondContact OG1-NE2 3.44Å; N110-Q222 VanDerWaalsContact C-NE2 3.31Å; Y111-Q222 VanDerWaalsContact CB-OE1 3.24Å; Y111-Q222 HydrophobicContact CD2-CB 3.98Å; Y111-Q222 HydrophobicContact CD2-CG 3.96Å; Y111-Q222 HydrophobicContact CE2-CB 4.47Å; L218-Q222 HydrophobicContact CD1-CB 4.38Å; L218-Q222 HydrophobicContact CD2-CB 4.1Å; L218-Q222 HydrophobicContact CD2-CG 3.76Å; L218-Q222 HydrophobicContact CG-CB 4.23Å; L218-Q222 HydrophobicContact CG-CG 4.12Å; S219-Q222 WeakPolarHBondContact O-CA 3.48Å; S219-Q222 PolarHBondContact O-N 3.33Å; S219-Q222 PolarHBondContact OG-N 2.93Å; A220-Q222 PolarHBondContact O-N 3.47Å; Q222-C247 VanDerWaalsContact O-CB 3.23Å; Q222-C247 WeakPolarHBondContact O-CB 3.08Å; Q222-F250 HydrophobicContact CB-CB 4.4Å; Q222-F250 HydrophobicContact CB-CD2 4.4Å
223N81.9Confident83.3Confident12 Ų1213.4 Ų13.46%0.0648%0.077CC..SBendtrans-89.5-15.4177.167-25.7000113.3S219 E221 C247 S651S219-N223 WeakPolarHBondContact CB-OD1 3.45Å; S219-N223 PolarHBondContact OG-N 3.29Å; S219-N223 VanDerWaalsContact OG-N 3.09Å; S219-N223 PolarHBondContact OG-OD1 2.79Å; E221-N223 PolarHBondContact O-N 2.81Å; E221-N223 VanDerWaalsContact O-N 3.14Å; N223-C247 PolarHBondContact O-N 3.4Å; N223-S651 PolarHBondContact ND2-O 3.16Å
224I85.6Confident82.9Confident10 Ų1016.7 Ų16.75%0.05110%0.098CC..EExtended strand (participates in β ladder)trans-139.2129.7-178.7-65.4169.5000109.5S219 L226 K244 I245 S651S219-I224 PolarHBondContact N-O 2.95Å; S219-I224 PolarHBondContact OG-N 3.39Å; S219-I224 VanDerWaalsContact OG-N 3.09Å; S219-I224 PolarHBondContact OG-O 3.4Å; I224-L226 HydrophobicContact CG2-CD2 3.76Å; I224-L226 HydrophobicContact CG2-CG 4.12Å; I224-K244 HydrophobicContact CG2-CG 3.85Å; I224-I245 WeakPolarHBondContact CA-O 3.49Å; I224-S651 WeakPolarHBondContact CD1-O 3.48Å
225L87.5Confident82.7Confident2 Ų222.4 Ų22.41%0.0112%0.122CC..EExtended strand (participates in β ladder)trans-103122.6164.6-179.968.3000109.4V182 F184 C216 L218 I227 I245 C247V182-L225 HydrophobicContact CG1-CD2 3.95Å; V182-L225 HydrophobicContact CG2-CD2 4.29Å; F184-L225 HydrophobicContact CE2-CD2 4.33Å; F184-L225 HydrophobicContact CZ-CD1 4.44Å; F184-L225 HydrophobicContact CZ-CD2 3.92Å; C216-L225 VanDerWaalsContact SG-CD1 3.57Å; L218-L225 HydrophobicContact CB-CD1 4.3Å; L218-L225 HydrophobicContact CD1-CB 4.2Å; L218-L225 HydrophobicContact CD1-CD1 4.24Å; L225-I227 HydrophobicContact CD2-CD1 3.75Å; L225-I227 HydrophobicContact CD2-CG1 3.91Å; L225-I227 HydrophobicContact CG-CD1 4.3Å; L225-I227 HydrophobicContact CG-CG1 3.89Å; L225-I245 HydrophobicContact CB-CB 4.31Å; L225-I245 HydrophobicContact CD2-CD1 4.3Å; L225-I245 PolarHBondContact N-O 3.4Å; L225-I245 PolarHBondContact O-N 2.82Å; L225-C247 VanDerWaalsContact CB-SG 3.56Å
226L88.2Confident82.2Confident4 Ų423.5 Ų23.52%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-98.5123.9169.9-59.4-179.6000109.1C216 H217 I224 H243 K244 I628 M630 L649 F658C216-L226 CarbonylContact C-O 3.55Å; C216-L226 VanDerWaalsContact CA-O 3.32Å; C216-L226 WeakPolarHBondContact CA-O 3.17Å; H217-L226 HydrophobicContact CB-CB 4.37Å; H217-L226 PolarHBondContact N-O 3.49Å; H217-L226 PolarHBondContact O-N 3.19Å; I224-L226 HydrophobicContact CG2-CD2 3.76Å; I224-L226 HydrophobicContact CG2-CG 4.12Å; L226-H243 CarbonylContact C-O 3.58Å; L226-H243 VanDerWaalsContact CA-O 3.28Å; L226-H243 WeakPolarHBondContact CA-O 3.41Å; L226-K244 HydrophobicContact CD2-CB 3.81Å; L226-K244 HydrophobicContact CD2-CG 4.17Å; L226-I628 HydrophobicContact CD1-CD1 3.88Å; L226-I628 HydrophobicContact CD1-CG2 4.24Å; L226-I628 HydrophobicContact CG-CD1 4.46Å; L226-M630 HydrophobicContact CD1-CE 4Å; L226-L649 HydrophobicContact CD1-CD1 3.84Å; L226-F658 HydrophobicContact CD2-CE2 4.22Å
227I88.7Confident81.7Confident0 Ų026.5 Ų26.50%015%0.15CC..EExtended strand (participates in β ladder)trans-121.9118.8173.7-53.8177.3000107.7Y177 V182 L197 L213 L225 C242 H243 I245Y177-I227 HydrophobicContact CE2-CG2 4.12Å; V182-I227 HydrophobicContact CG2-CD1 3.33Å; L197-I227 HydrophobicContact CD1-CD1 4.41Å; L197-I227 HydrophobicContact CD2-CG2 4.1Å; L213-I227 HydrophobicContact CD1-CG2 3.58Å; L225-I227 HydrophobicContact CD2-CD1 3.75Å; L225-I227 HydrophobicContact CD2-CG1 3.91Å; L225-I227 HydrophobicContact CG-CD1 4.3Å; L225-I227 HydrophobicContact CG-CG1 3.89Å; I227-C242 CarbonylContact O-C 3.52Å; I227-C242 WeakPolarHBondContact O-CA 3.27Å; I227-H243 HydrophobicContact CB-CB 4.36Å; I227-H243 PolarHBondContact N-O 2.86Å; I227-H243 WeakPolarHBondContact O-CB 3.42Å; I227-H243 PolarHBondContact O-CD2 3.04Å; I227-H243 VanDerWaalsContact O-CD2 3.3Å; I227-H243 PolarHBondContact O-N 2.99Å; I227-I245 HydrophobicContact CD1-CD1 3.63Å; I227-I245 HydrophobicContact CG1-CD1 4.29Å
228T86.9Confident81.2Confident0 Ų025.9 Ų25.90%015%0.146CC..EExtended strand (participates in β ladder)trans-105.1123.9174.9-50.10000108.8V214 S215 V240 V241 C242 L583 L598V214-T228 WeakPolarHBondContact CA-O 3.37Å; V214-T228 HydrophobicContact CB-CG2 4.03Å; V214-T228 WeakPolarHBondContact CB-O 3.28Å; V214-T228 HydrophobicContact CG1-CG2 4.31Å; V214-T228 PolarHBondContact N-O 2.85Å; S215-T228 PolarHBondContact N-O 3.15Å; S215-T228 VanDerWaalsContact N-O 3.12Å; S215-T228 PolarHBondContact O-N 3.11Å; S215-T228 VanDerWaalsContact OG-CB 3.23Å; S215-T228 WeakPolarHBondContact OG-CB 3.18Å; S215-T228 PolarHBondContact OG-OG1 2.76Å; S215-T228 VanDerWaalsContact OG-OG1 3.07Å; T228-V240 HydrophobicContact CG2-CG1 3.5Å; T228-V241 CarbonylContact C-O 3.57Å; T228-V241 VanDerWaalsContact CA-O 3.24Å; T228-V241 WeakPolarHBondContact CA-O 3.36Å; T228-C242 HydrophobicContact CG2-CB 4.46Å; T228-C242 PolarHBondContact OG1-SG 3.08Å; T228-L583 HydrophobicContact CG2-CD1 3.77Å; T228-L598 HydrophobicContact CG2-CD1 3.92Å
229E86Confident80.9Confident1 Ų127 Ų271%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-122.7156176.765.6175.2-177.300111.4H198 S211 K212 F231 V240 V241 H243H198-E229 IonicContact CE1-OE1 3.64Å; H198-E229 IonicContact CE1-OE2 3.4Å; H198-E229 PolarHBondContact CE1-OE2 3.43Å; H198-E229 IonicContact NE2-OE1 2.78Å; H198-E229 IonicContact NE2-OE2 2.84Å; H198-E229 PolarHBondContact NE2-OE2 3.44Å; S211-E229 WeakPolarHBondContact CB-OE2 3.46Å; S211-E229 WeakPolarHBondContact OG-CB 3.43Å; S211-E229 PolarHBondContact OG-OE2 3.24Å; K212-E229 CarbonylContact O-C 3.6Å; K212-E229 WeakPolarHBondContact O-CA 3.24Å; E229-F231 HydrophobicContact CG-CD1 4.11Å; E229-F231 HydrophobicContact CG-CE1 4.31Å; E229-V240 CarbonylContact O-C 3.53Å; E229-V240 WeakPolarHBondContact O-CA 3.5Å; E229-V241 PolarHBondContact N-O 2.78Å; E229-V241 PolarHBondContact O-N 3.29Å; E229-H243 IonicContact OE1-CE1 2.78Å; E229-H243 PolarHBondContact OE1-CE1 2.86Å; E229-H243 IonicContact OE1-NE2 3.81Å; E229-H243 PolarHBondContact OE1-NE2 3.16Å
230S82.4Confident80.7Confident6 Ų626.9 Ų26.94%0.04215%0.15CC..EExtended strand (participates in β ladder)trans-125.6137.9173.561.80000111K212 V214 Y239K212-S230 PolarHBondContact N-O 3.31Å; K212-S230 PolarHBondContact O-N 2.93Å; K212-S230 PolarHBondContact O-OG 3.31Å; V214-S230 WeakPolarHBondContact CG2-OG 3.45Å; S230-Y239 CarbonylContact C-O 3.19Å; S230-Y239 WeakPolarHBondContact CA-O 3Å
231F80.4Confident80.9Confident2 Ų225.3 Ų25.31%0.00914%0.137CC..EExtended strand (participates in β ladder)trans-155.2165.6-176.158.8-95.1000111L205 H207 E229 Y239 V241L205-F231 HydrophobicContact CB-CE2 4.36Å; L205-F231 HydrophobicContact CB-CZ 4.22Å; L205-F231 HydrophobicContact CD1-CZ 4.07Å; H207-F231 HydrophobicContact CB-CD2 4.46Å; H207-F231 AromaticContact CE1-CD1 3.56Å; H207-F231 AromaticContact CE1-CD2 3.71Å; H207-F231 AromaticContact CE1-CE1 3.23Å; H207-F231 WeakPolarHBondContact CE1-CE1 3.42Å; H207-F231 AromaticContact CE1-CE2 3.36Å; H207-F231 WeakPolarHBondContact CE1-CE2 3.28Å; H207-F231 AromaticContact CE1-CG 3.8Å; H207-F231 AromaticContact CE1-CZ 3.13Å; H207-F231 WeakPolarHBondContact CE1-CZ 3.36Å; H207-F231 AromaticContact ND1-CD1 3.37Å; H207-F231 WeakPolarHBondContact ND1-CD1 3.33Å; H207-F231 AromaticContact ND1-CD2 2.95Å; H207-F231 WeakPolarHBondContact ND1-CD2 3.33Å; H207-F231 AromaticContact ND1-CE1 3.49Å; H207-F231 WeakPolarHBondContact ND1-CE1 3.4Å; H207-F231 AromaticContact ND1-CE2 3.06Å; H207-F231 WeakPolarHBondContact ND1-CE2 3.17Å; H207-F231 AromaticContact ND1-CG 3.13Å; H207-F231 WeakPolarHBondContact ND1-CG 3.46Å; H207-F231 AromaticContact ND1-CZ 3.34Å; H207-F231 VanDerWaalsContact ND1-CZ 3.34Å; H207-F231 WeakPolarHBondContact ND1-CZ 3.33Å; E229-F231 HydrophobicContact CG-CD1 4.11Å; E229-F231 HydrophobicContact CG-CE1 4.31Å; F231-Y239 AromaticContact CE2-CD2 3.99Å; F231-Y239 HydrophobicContact CE2-CD2 3.99Å; F231-Y239 HydrophobicContact CE2-CG 4.02Å; F231-Y239 HydrophobicContact CZ-CG 4.15Å; F231-Y239 PolarHBondContact N-O 3Å; F231-Y239 PolarHBondContact O-N 2.89Å; F231-V241 HydrophobicContact CE1-CB 4.11Å; F231-V241 HydrophobicContact CE1-CG2 3.54Å; F231-V241 HydrophobicContact CZ-CG2 3.7Å
232L80.3Confident81.4Confident53 Ų5323.6 Ų23.628%0.27713%0.129SC..EExtended strand (participates in β ladder)trans-98.5135.1167.5-65.8166.7000109.3T208 Q237 F238 L592T208-L232 PolarHBondContact N-O 3.36Å; T208-L232 PolarHBondContact OG1-O 2.68Å; L232-Q237 WeakPolarHBondContact CA-O 3.38Å; L232-F238 HydrophobicContact CD2-CB 4.08Å; L232-F238 HydrophobicContact CD2-CD2 4.41Å; L232-L592 HydrophobicContact CD1-CD1 3.85Å; L232-L592 HydrophobicContact CD2-CD1 3.86Å; L232-L592 HydrophobicContact CG-CD1 3.72Å
233N77.3Confident81.7Confident14 Ų1423.5 Ų23.58%0.07513%0.128CC..BIsolated β-bridgetrans-79.5176.2170.178.1-9.4000110.9T208 E235 G236 Q237 Y239T208-N233 VanDerWaalsContact OG1-C 3.23Å; T208-N233 PolarHBondContact OG1-O 2.81Å; N233-E235 PolarHBondContact O-N 2.82Å; N233-E235 VanDerWaalsContact O-N 3.14Å; N233-E235 WeakPolarHBondContact OD1-CA 3.37Å; N233-E235 PolarHBondContact OD1-N 3.4Å; N233-G236 PolarHBondContact O-N 2.91Å; N233-G236 PolarHBondContact OD1-N 3.21Å; N233-Q237 PolarHBondContact N-O 2.9Å; N233-Q237 WeakPolarHBondContact OD1-CB 3.46Å; N233-Q237 PolarHBondContact OD1-N 2.91Å; N233-Q237 PolarHBondContact OD1-O 3.08Å; N233-Y239 HydrophobicContact CB-CD2 4.14Å; N233-Y239 HydrophobicContact CB-CE2 3.83Å; N233-Y239 WeakPolarHBondContact ND2-CE2 3.38Å
234V76.2Confident81.8Confident94 Ų9423.2 Ų23.257%0.5713%0.127SC*.THydrogen-bonded Turntrans-53.9-32175.6-163.10000113.8N206 T208 G236N206-V234 HydrophobicContact CB-CG2 3.59Å; N206-V234 WeakPolarHBondContact O-CG2 3.42Å; N206-V234 PolarHBondContact O-N 3.48Å; T208-V234 HydrophobicContact CG2-CB 3.6Å; T208-V234 HydrophobicContact CG2-CG1 3.74Å; T208-V234 HydrophobicContact CG2-CG2 3.5Å; V234-G236 VanDerWaalsContact C-N 3.26Å; V234-G236 PolarHBondContact O-N 3.34Å
235E76.2Confident81.8Confident154 Ų15422.8 Ų22.872%0.7212%0.124SC*.THydrogen-bonded Turntrans-84.80.2-175.9-57.4178.3174.500112.9N233 Q237N233-E235 PolarHBondContact O-N 2.82Å; N233-E235 VanDerWaalsContact O-N 3.14Å; N233-E235 WeakPolarHBondContact OD1-CA 3.37Å; N233-E235 PolarHBondContact OD1-N 3.4Å; E235-Q237 VanDerWaalsContact C-N 3.28Å; E235-Q237 PolarHBondContact O-N 2.85Å
236G75.3Confident81.7Confident37 Ų3722.8 Ų22.838%0.38113%0.125SC..SBendtrans797.5-178.100000114.3N233 V234N233-G236 PolarHBondContact O-N 2.91Å; N233-G236 PolarHBondContact OD1-N 3.21Å; V234-G236 VanDerWaalsContact C-N 3.26Å; V234-G236 PolarHBondContact O-N 3.34Å
237Q74.6Confident81.6Confident69 Ų6922.6 Ų22.632%0.32212%0.124SC..  trans-76.6137.1172.6-64.7-178.6-13.300110.5L232 N233 E235 Y239L232-Q237 WeakPolarHBondContact CA-O 3.38Å; N233-Q237 PolarHBondContact N-O 2.9Å; N233-Q237 WeakPolarHBondContact OD1-CB 3.46Å; N233-Q237 PolarHBondContact OD1-N 2.91Å; N233-Q237 PolarHBondContact OD1-O 3.08Å; E235-Q237 VanDerWaalsContact C-N 3.28Å; E235-Q237 PolarHBondContact O-N 2.85Å; Q237-Y239 HydrophobicContact CB-CD2 4.45Å; Q237-Y239 HydrophobicContact CB-CE2 3.75Å; Q237-Y239 WeakPolarHBondContact O-CD2 2.9Å; Q237-Y239 PolarHBondContact OE1-OH 3.41Å
238F76.5Confident81.2Confident2 Ų224.6 Ų24.61%0.00913%0.134CC..EExtended strand (participates in β ladder)trans-85.2132.9177.6178.3-113.2000110.6L232 V240 L584 T585 G586 L591 L592 V596L232-F238 HydrophobicContact CD2-CB 4.08Å; L232-F238 HydrophobicContact CD2-CD2 4.41Å; F238-V240 HydrophobicContact CD1-CG2 4.48Å; F238-V240 HydrophobicContact CE1-CG2 3.54Å; F238-V240 HydrophobicContact CZ-CG2 3.64Å; F238-L584 HydrophobicContact CD1-CD2 3.73Å; F238-L584 HydrophobicContact CE1-CD2 3.81Å; F238-T585 CarbonylContact O-C 3.5Å; F238-T585 VanDerWaalsContact O-CA 3.22Å; F238-T585 WeakPolarHBondContact O-CA 3.5Å; F238-G586 PolarHBondContact N-O 2.9Å; F238-G586 PolarHBondContact O-N 3.33Å; F238-L591 HydrophobicContact CD1-CB 3.83Å; F238-L591 HydrophobicContact CD1-CD1 4.48Å; F238-L591 HydrophobicContact CE1-CB 4Å; F238-L591 HydrophobicContact CG-CB 4.38Å; F238-L592 HydrophobicContact CD2-CD1 3.67Å; F238-L592 HydrophobicContact CD2-CG 3.82Å; F238-L592 HydrophobicContact CE2-CD1 3.94Å; F238-L592 HydrophobicContact CE2-CD2 4.12Å; F238-L592 HydrophobicContact CE2-CG 3.54Å; F238-L592 HydrophobicContact CZ-CG 4.46Å; F238-V596 HydrophobicContact CE1-CG2 4.28Å; F238-V596 HydrophobicContact CZ-CG2 4.24Å
239Y78.5Confident80.9Confident29 Ų2925 Ų2511%0.11414%0.138CC..EExtended strand (participates in β ladder)trans-126142.4175.3-71-94.9000110.7S230 F231 N233 Q237 I582 L584 T585S230-Y239 CarbonylContact C-O 3.19Å; S230-Y239 WeakPolarHBondContact CA-O 3Å; F231-Y239 AromaticContact CE2-CD2 3.99Å; F231-Y239 HydrophobicContact CE2-CD2 3.99Å; F231-Y239 HydrophobicContact CE2-CG 4.02Å; F231-Y239 HydrophobicContact CZ-CG 4.15Å; F231-Y239 PolarHBondContact N-O 3Å; F231-Y239 PolarHBondContact O-N 2.89Å; N233-Y239 HydrophobicContact CB-CD2 4.14Å; N233-Y239 HydrophobicContact CB-CE2 3.83Å; N233-Y239 WeakPolarHBondContact ND2-CE2 3.38Å; Q237-Y239 HydrophobicContact CB-CD2 4.45Å; Q237-Y239 HydrophobicContact CB-CE2 3.75Å; Q237-Y239 WeakPolarHBondContact O-CD2 2.9Å; Q237-Y239 PolarHBondContact OE1-OH 3.41Å; Y239-I582 HydrophobicContact CD1-CD1 4.3Å; Y239-I582 HydrophobicContact CD1-CG2 4.07Å; Y239-I582 HydrophobicContact CE1-CD1 4.24Å; Y239-L584 CarbonylContact C-O 3.14Å; Y239-L584 WeakPolarHBondContact CA-O 3.49Å; Y239-T585 HydrophobicContact CD1-CG2 3.59Å; Y239-T585 HydrophobicContact CE1-CG2 3.52Å
240V80Confident80.8Confident3 Ų324.9 Ų24.92%0.01814%0.138CC..EExtended strand (participates in β ladder)trans-116.4119.3161.4-175.60000107.2V214 T228 E229 F238 L583 L584 V596V214-V240 HydrophobicContact CG2-CG1 4.42Å; T228-V240 HydrophobicContact CG2-CG1 3.5Å; E229-V240 CarbonylContact O-C 3.53Å; E229-V240 WeakPolarHBondContact O-CA 3.5Å; F238-V240 HydrophobicContact CD1-CG2 4.48Å; F238-V240 HydrophobicContact CE1-CG2 3.54Å; F238-V240 HydrophobicContact CZ-CG2 3.64Å; V240-L583 HydrophobicContact CB-CB 4.44Å; V240-L583 HydrophobicContact CG1-CB 4.26Å; V240-L583 HydrophobicContact CG1-CD1 4.37Å; V240-L583 PolarHBondContact O-N 2.88Å; V240-L584 HydrophobicContact CB-CB 3.84Å; V240-L584 HydrophobicContact CG2-CB 3.82Å; V240-L584 HydrophobicContact CG2-CD2 4.4Å; V240-L584 PolarHBondContact N-O 2.57Å; V240-L584 PolarHBondContact O-N 2.62Å; V240-V596 HydrophobicContact CG2-CG2 4.11Å
241V82.9Confident80.7Confident0 Ų028.9 Ų28.90%016%0.156CC..EExtended strand (participates in β ladder)trans-123.6129.4-174.7-176.90000109.5L205 T228 E229 F231 R580 Q581 I582L205-V241 HydrophobicContact CD1-CG2 4.31Å; T228-V241 CarbonylContact C-O 3.57Å; T228-V241 VanDerWaalsContact CA-O 3.24Å; T228-V241 WeakPolarHBondContact CA-O 3.36Å; E229-V241 PolarHBondContact N-O 2.78Å; E229-V241 PolarHBondContact O-N 3.29Å; F231-V241 HydrophobicContact CE1-CB 4.11Å; F231-V241 HydrophobicContact CE1-CG2 3.54Å; F231-V241 HydrophobicContact CZ-CG2 3.7Å; V241-R580 HydrophobicContact CG1-CB 4.16Å; V241-Q581 CarbonylContact C-O 3.6Å; V241-Q581 WeakPolarHBondContact CA-O 3.02Å; V241-I582 HydrophobicContact CG2-CG1 4.24Å
242C85.1Confident80.9Confident0 Ų034.5 Ų34.50%018%0.18CC..EExtended strand (participates in β ladder)trans-99.3122.3171.6-168.20000110.1I227 T228 R580 Q581 L583 F658I227-C242 CarbonylContact O-C 3.52Å; I227-C242 WeakPolarHBondContact O-CA 3.27Å; T228-C242 HydrophobicContact CG2-CB 4.46Å; T228-C242 PolarHBondContact OG1-SG 3.08Å; C242-R580 CarbonylContact O-C 3.57Å; C242-R580 WeakPolarHBondContact O-CA 3.49Å; C242-Q581 PolarHBondContact N-O 2.96Å; C242-Q581 PolarHBondContact O-N 3.17Å; C242-L583 HydrophobicContact CB-CD1 3.86Å; C242-L583 HydrophobicContact CB-CD2 4.19Å; C242-L583 HydrophobicContact CB-CG 3.9Å; C242-F658 HydrophobicContact CB-CE2 4.44Å; C242-F658 HydrophobicContact CB-CZ 4.34Å
243H85.5Confident81.1Confident1 Ų132.6 Ų32.61%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-97.6124.2176.8-59.6-109.7000108.2L197 L226 I227 E229 Q578 T579 R580L197-H243 HydrophobicContact CD1-CB 4.3Å; L226-H243 CarbonylContact C-O 3.58Å; L226-H243 VanDerWaalsContact CA-O 3.28Å; L226-H243 WeakPolarHBondContact CA-O 3.41Å; I227-H243 HydrophobicContact CB-CB 4.36Å; I227-H243 PolarHBondContact N-O 2.86Å; I227-H243 WeakPolarHBondContact O-CB 3.42Å; I227-H243 PolarHBondContact O-CD2 3.04Å; I227-H243 VanDerWaalsContact O-CD2 3.3Å; I227-H243 PolarHBondContact O-N 2.99Å; E229-H243 IonicContact OE1-CE1 2.78Å; E229-H243 PolarHBondContact OE1-CE1 2.86Å; E229-H243 IonicContact OE1-NE2 3.81Å; E229-H243 PolarHBondContact OE1-NE2 3.16Å; H243-Q578 PolarHBondContact ND1-NE2 2.88Å; H243-T579 WeakPolarHBondContact CA-O 3.19Å; H243-R580 PolarHBondContact ND1-NE 2.86Å
244K84.8Confident81.5Confident7 Ų732 Ų323%0.0317%0.167CC..EExtended strand (participates in β ladder)trans-100.4111.9170.8169.3179.6170.4179.10108.1I224 L226 Q578 T579 S653 E657 F658I224-K244 HydrophobicContact CG2-CG 3.85Å; L226-K244 HydrophobicContact CD2-CB 3.81Å; L226-K244 HydrophobicContact CD2-CG 4.17Å; K244-Q578 WeakPolarHBondContact O-CA 3.25Å; K244-T579 WeakPolarHBondContact CB-OG1 3.4Å; K244-T579 PolarHBondContact N-O 3.5Å; K244-T579 PolarHBondContact O-N 3.34Å; K244-S653 PolarHBondContact NZ-OG 3.24Å; K244-E657 PolarHBondContact NZ-O 3.1Å; K244-F658 HydrophobicContact CB-CD2 3.95Å; K244-F658 HydrophobicContact CB-CE2 4.17Å; K244-F658 HydrophobicContact CD-CD2 4.23Å
245I85.4Confident82Confident0 Ų029.6 Ų29.60%015%0.148CC..EExtended strand (participates in β ladder)trans-110.5117.2-178.9-58.9166.2000107.9Y195 L197 I224 L225 I227 C247 L573 Q578Y195-I245 HydrophobicContact CD1-CD1 4.26Å; Y195-I245 HydrophobicContact CE1-CD1 3.94Å; L197-I245 HydrophobicContact CD1-CD1 4.18Å; I224-I245 WeakPolarHBondContact CA-O 3.49Å; L225-I245 HydrophobicContact CB-CB 4.31Å; L225-I245 HydrophobicContact CD2-CD1 4.3Å; L225-I245 PolarHBondContact N-O 3.4Å; L225-I245 PolarHBondContact O-N 2.82Å; I227-I245 HydrophobicContact CD1-CD1 3.63Å; I227-I245 HydrophobicContact CG1-CD1 4.29Å; I245-C247 PolarHBondContact O-SG 3.14Å; I245-L573 HydrophobicContact CG2-CD2 4.18Å; I245-Q578 HydrophobicContact CG1-CG 3.93Å
246P84.7Confident82.6Confident3 Ų323.5 Ų23.52%0.01912%0.119CC..EExtended strand (participates in β ladder)trans-68.6133.9173.7-20.634.3000111.6D574 C577 K655P246-D574 HydrophobicContact CB-CB 4.29Å; P246-D574 PolarHBondContact O-N 3.43Å; P246-C577 HydrophobicContact CG-CB 3.82Å; P246-K655 HydrophobicContact CG-CB 4.41Å
247C85.1Confident83.3Confident0 Ų021.7 Ų21.70%010%0.101CC..  trans-120.131.1-177.2-56.30000111.3Q222 N223 L225 I245 G249 F250 C572 L573Q222-C247 VanDerWaalsContact O-CB 3.23Å; Q222-C247 WeakPolarHBondContact O-CB 3.08Å; N223-C247 PolarHBondContact O-N 3.4Å; L225-C247 VanDerWaalsContact CB-SG 3.56Å; I245-C247 PolarHBondContact O-SG 3.14Å; C247-G249 PolarHBondContact O-N 3.01Å; C247-F250 HydrophobicContact CB-CD2 3.81Å; C247-F250 HydrophobicContact CB-CE2 4.22Å; C247-F250 PolarHBondContact O-N 2.81Å; C247-C572 CarbonylContact C-O 3.54Å; C247-C572 VanDerWaalsContact C-O 3.28Å; C247-C572 WeakPolarHBondContact CA-O 3.32Å; C247-L573 HydrophobicContact CB-CD2 4.11Å; C247-L573 WeakPolarHBondContact SG-CD2 3.43Å
248D80.5Confident84Confident42 Ų4218.9 Ų18.923%0.2259%0.088CC..Hα-helixtrans-55.4-21.9-175-57.3-26.4000113.5F250 Q251 K252 K655D248-F250 PolarHBondContact O-N 3.2Å; D248-Q251 WeakPolarHBondContact O-CA 3.35Å; D248-Q251 WeakPolarHBondContact O-CB 3.18Å; D248-Q251 PolarHBondContact O-N 3.36Å; D248-K252 PolarHBondContact O-N 2.97Å; D248-K655 WeakPolarHBondContact OD2-CE 3.26Å; D248-K655 IonicContact OD2-NZ 3.07Å; D248-K655 PolarHBondContact OD2-NZ 2.89Å
249G81.3Confident84.6Confident7 Ų722.2 Ų22.27%0.07210%0.1CC..Hα-helixtrans-68.6-20.1177.600000113.5C247 Q251 F253 G571 C572C247-G249 PolarHBondContact O-N 3.01Å; G249-Q251 VanDerWaalsContact C-N 3.29Å; G249-F253 WeakPolarHBondContact O-CA 3.15Å; G249-F253 WeakPolarHBondContact O-CB 3.31Å; G249-F253 PolarHBondContact O-N 3.42Å; G249-G571 WeakPolarHBondContact CA-O 3.41Å; G249-C572 PolarHBondContact N-O 2.97Å
250F84.1Confident85.2Confident0 Ų021 Ų210%010%0.096CC..Hα-helixtrans-66.3-32.9165.1-71.9-61.7000111.9Y111 I173 F184 I192 Q222 C247 D248 G254 L257 C572Y111-F250 PolarHBondContact OH-O 2.7Å; I173-F250 HydrophobicContact CD1-CD1 3.71Å; I173-F250 HydrophobicContact CD1-CE1 3.43Å; I173-F250 VanDerWaalsContact CD1-CE1 3.43Å; I173-F250 HydrophobicContact CD1-CZ 4.06Å; F184-F250 HydrophobicContact CB-CZ 4.32Å; F184-F250 HydrophobicContact CD1-CZ 4.14Å; F184-F250 HydrophobicContact CD2-CZ 4.27Å; F184-F250 HydrophobicContact CE1-CE2 4.41Å; F184-F250 HydrophobicContact CE1-CZ 4.48Å; F184-F250 HydrophobicContact CE2-CE2 4.44Å; F184-F250 AromaticContact CG-CZ 3.99Å; F184-F250 HydrophobicContact CG-CZ 3.99Å; F184-F250 HydrophobicContact CZ-CE2 4.36Å; I192-F250 HydrophobicContact CD1-CE1 4.03Å; I192-F250 HydrophobicContact CG2-CE1 4.03Å; I192-F250 HydrophobicContact CG2-CZ 4.34Å; Q222-F250 HydrophobicContact CB-CB 4.4Å; Q222-F250 HydrophobicContact CB-CD2 4.4Å; C247-F250 HydrophobicContact CB-CD2 3.81Å; C247-F250 HydrophobicContact CB-CE2 4.22Å; C247-F250 PolarHBondContact O-N 2.81Å; D248-F250 PolarHBondContact O-N 3.2Å; F250-G254 WeakPolarHBondContact O-CA 3.49Å; F250-G254 PolarHBondContact O-N 2.75Å; F250-L257 HydrophobicContact CD1-CD1 4.03Å; F250-L257 HydrophobicContact CE1-CD1 4.25Å; F250-C572 HydrophobicContact CE1-CB 4.29Å; F250-C572 HydrophobicContact CE2-CB 4.37Å; F250-C572 HydrophobicContact CZ-CB 4.2Å
251Q81.1Confident85.8Confident90 Ų9020.9 Ų20.942%0.42110%0.095SC..Hα-helixtrans-74.3-44.1174-62.9-170.2-16.700111.8Y111 D248 G249Y111-Q251 WeakPolarHBondContact OH-CA 3.16Å; D248-Q251 WeakPolarHBondContact O-CA 3.35Å; D248-Q251 WeakPolarHBondContact O-CB 3.18Å; D248-Q251 PolarHBondContact O-N 3.36Å; G249-Q251 VanDerWaalsContact C-N 3.29Å
252K83Confident86.3Confident120 Ų12021.4 Ų21.452%0.52210%0.099SC..Hα-helixtrans-68.9-42.1-179.2-170.2178.9172.1-163.20113.1D248 E390D248-K252 PolarHBondContact O-N 2.97Å; K252-E390 IonicContact NZ-OE1 3.55Å; K252-E390 PolarHBondContact NZ-OE1 3.1Å; K252-E390 IonicContact NZ-OE2 2.62Å; K252-E390 PolarHBondContact NZ-OE2 3.28Å
253F85.6Confident86.6Confident12 Ų1221.6 Ų21.65%0.05310%0.1CC..Hα-helixtrans-115.810.2-173.2-57.4-62.7000114.3G249 Y255 Q256 L257 E390 L391G249-F253 WeakPolarHBondContact O-CA 3.15Å; G249-F253 WeakPolarHBondContact O-CB 3.31Å; G249-F253 PolarHBondContact O-N 3.42Å; F253-Y255 VanDerWaalsContact C-N 3.26Å; F253-Y255 PolarHBondContact O-N 2.94Å; F253-Q256 VanDerWaalsContact C-OE1 3.27Å; F253-Q256 VanDerWaalsContact CA-OE1 3.31Å; F253-Q256 PolarHBondContact O-N 3.37Å; F253-Q256 VanDerWaalsContact O-N 3.08Å; F253-Q256 PolarHBondContact O-OE1 2.71Å; F253-L257 HydrophobicContact CB-CD1 4.11Å; F253-L257 HydrophobicContact CB-CG 4.08Å; F253-L257 WeakPolarHBondContact O-CB 3.48Å; F253-L257 WeakPolarHBondContact O-CG 3.43Å; F253-L257 PolarHBondContact O-N 3.45Å; F253-E390 HydrophobicContact CE1-CB 4.21Å; F253-E390 HydrophobicContact CE2-CB 4.11Å; F253-E390 WeakPolarHBondContact CE2-OE2 3.49Å; F253-E390 HydrophobicContact CZ-CB 3.66Å; F253-E390 HydrophobicContact CZ-CG 4.02Å; F253-E390 WeakPolarHBondContact CZ-OE2 3.38Å; F253-L391 HydrophobicContact CB-CD2 4.26Å; F253-L391 HydrophobicContact CG-CD2 4.23Å
254G85.9Confident87Confident2 Ų221.7 Ų21.72%0.02110%0.101CC..Hα-helixtrans-56-39.2-170.800000113.8F250 M258F250-G254 WeakPolarHBondContact O-CA 3.49Å; F250-G254 PolarHBondContact O-N 2.75Å; G254-M258 WeakPolarHBondContact O-CB 3.37Å; G254-M258 PolarHBondContact O-N 2.94Å
255Y85.6Confident87.5Confident44 Ų4421.5 Ų21.517%0.17310%0.1CC..Hα-helixtrans-67.6-46.7176.4178.5-101000112.3L128 F253 M258 R259L128-Y255 HydrophobicContact CD2-CE1 4.28Å; L128-Y255 HydrophobicContact CD2-CE2 4.4Å; L128-Y255 WeakPolarHBondContact CD2-OH 3.37Å; F253-Y255 VanDerWaalsContact C-N 3.26Å; F253-Y255 PolarHBondContact O-N 2.94Å; Y255-M258 HydrophobicContact CD2-CE 3.71Å; Y255-M258 HydrophobicContact CE2-CE 3.86Å; Y255-M258 PolarHBondContact O-N 2.92Å; Y255-R259 PolarHBondContact O-N 3.49Å
256Q88.9Confident87.9Confident25 Ų2521.6 Ų21.612%0.11710%0.1CC..Hα-helixtrans-62.4-46.2179.2-64.186-22.900110.9F253 R259 L260 Y388 L391F253-Q256 VanDerWaalsContact C-OE1 3.27Å; F253-Q256 VanDerWaalsContact CA-OE1 3.31Å; F253-Q256 PolarHBondContact O-N 3.37Å; F253-Q256 VanDerWaalsContact O-N 3.08Å; F253-Q256 PolarHBondContact O-OE1 2.71Å; Q256-R259 PolarHBondContact O-N 2.88Å; Q256-L260 WeakPolarHBondContact O-CG 3.42Å; Q256-L260 PolarHBondContact O-N 3.09Å; Q256-Y388 HydrophobicContact CB-CD1 4.17Å; Q256-Y388 HydrophobicContact CB-CE1 3.62Å; Q256-Y388 HydrophobicContact CG-CD1 4.43Å; Q256-Y388 HydrophobicContact CG-CE1 3.95Å; Q256-Y388 HydrophobicContact CG-CE2 4.19Å; Q256-L391 HydrophobicContact CB-CD1 4.27Å
257L90Very high88.4Confident0 Ų021.4 Ų21.40%010%0.099CC..Hα-helixtrans-62.7-43.3176-72.2174.9000111.3F171 F190 I192 F250 F253 S261 L391 C572F171-L257 HydrophobicContact CE1-CB 3.78Å; F171-L257 HydrophobicContact CZ-CB 3.85Å; F190-L257 HydrophobicContact CE1-CD2 4.43Å; I192-L257 HydrophobicContact CG2-CD1 4.08Å; I192-L257 HydrophobicContact CG2-CD2 4.05Å; F250-L257 HydrophobicContact CD1-CD1 4.03Å; F250-L257 HydrophobicContact CE1-CD1 4.25Å; F253-L257 HydrophobicContact CB-CD1 4.11Å; F253-L257 HydrophobicContact CB-CG 4.08Å; F253-L257 WeakPolarHBondContact O-CB 3.48Å; F253-L257 WeakPolarHBondContact O-CG 3.43Å; F253-L257 PolarHBondContact O-N 3.45Å; L257-S261 WeakPolarHBondContact O-CB 3.49Å; L257-S261 PolarHBondContact O-N 2.88Å; L257-S261 PolarHBondContact O-OG 3.48Å; L257-L391 HydrophobicContact CD2-CD1 4.35Å; L257-L391 HydrophobicContact CD2-CD2 3.82Å; L257-L391 HydrophobicContact CG-CD2 4.32Å; L257-C572 HydrophobicContact CD1-CB 4.4Å
258M90.2Very high88.8Confident10 Ų1024.4 Ų24.45%0.04911%0.112CC..Hα-helixtrans-60.5-46175.2178.9-176.777.100111.6G168 F171 G254 Y255 S261 S262G168-M258 WeakPolarHBondContact O-CE 3.47Å; F171-M258 HydrophobicContact CB-CB 3.9Å; F171-M258 HydrophobicContact CB-CG 3.71Å; F171-M258 HydrophobicContact CB-SD 3.99Å; F171-M258 HydrophobicContact CD1-CB 3.94Å; F171-M258 HydrophobicContact CD2-CB 4.09Å; F171-M258 HydrophobicContact CD2-CG 4.25Å; F171-M258 HydrophobicContact CE1-CB 4.45Å; F171-M258 HydrophobicContact CG-CB 3.73Å; F171-M258 HydrophobicContact CG-CG 4Å; G254-M258 WeakPolarHBondContact O-CB 3.37Å; G254-M258 PolarHBondContact O-N 2.94Å; Y255-M258 HydrophobicContact CD2-CE 3.71Å; Y255-M258 HydrophobicContact CE2-CE 3.86Å; Y255-M258 PolarHBondContact O-N 2.92Å; M258-S261 PolarHBondContact O-N 2.99Å; M258-S262 WeakPolarHBondContact O-CB 3.3Å; M258-S262 PolarHBondContact O-N 3.36Å; M258-S262 PolarHBondContact O-OG 3.27Å
259R88.7Confident89.5Confident71 Ų7122.5 Ų22.527%0.26810%0.102SC..Hα-helixtrans-62.8-51179.4-172176.8-178.8175.80.7111Y255 Q256 S261 S262 Q263 E377Y255-R259 PolarHBondContact O-N 3.49Å; Q256-R259 PolarHBondContact O-N 2.88Å; R259-S261 VanDerWaalsContact C-N 3.33Å; R259-S261 PolarHBondContact O-N 3.48Å; R259-S262 PolarHBondContact O-N 2.88Å; R259-S262 PolarHBondContact O-OG 2.87Å; R259-Q263 VanDerWaalsContact O-CG 3.29Å; R259-Q263 WeakPolarHBondContact O-CG 3.37Å; R259-Q263 PolarHBondContact O-N 2.95Å; R259-E377 IonicContact CZ-OE2 3.6Å; R259-E377 IonicContact NH2-OE2 3.92Å; R259-E377 PolarHBondContact NH2-OE2 3.49Å
260L91.6Very high90.1Very high4 Ų422.1 Ų22.12%0.02110%0.099CC..Hα-helixtrans-62.5-41177.9-70.1-178.9000112.3F190 Q256 Q263 A264 V378 L382 Y388 L391 I393F190-L260 HydrophobicContact CE1-CB 4.12Å; F190-L260 HydrophobicContact CE2-CB 4.28Å; F190-L260 HydrophobicContact CZ-CB 3.78Å; F190-L260 HydrophobicContact CZ-CD1 4.03Å; Q256-L260 WeakPolarHBondContact O-CG 3.42Å; Q256-L260 PolarHBondContact O-N 3.09Å; L260-Q263 PolarHBondContact O-N 2.86Å; L260-A264 VanDerWaalsContact O-CB 3.24Å; L260-A264 WeakPolarHBondContact O-CB 3Å; L260-A264 PolarHBondContact O-N 3.32Å; L260-V378 HydrophobicContact CD2-CG1 4.02Å; L260-V378 HydrophobicContact CD2-CG2 4.44Å; L260-L382 HydrophobicContact CD1-CD2 4.45Å; L260-Y388 HydrophobicContact CD1-CD1 3.87Å; L260-Y388 HydrophobicContact CD1-CE1 3.99Å; L260-Y388 HydrophobicContact CD2-CE1 4.23Å; L260-Y388 HydrophobicContact CG-CD1 4.25Å; L260-Y388 HydrophobicContact CG-CE1 3.88Å; L260-L391 HydrophobicContact CD1-CD1 3.53Å; L260-I393 HydrophobicContact CD1-CD1 4.07Å
261S92.6Very high90.6Very high0 Ų022.2 Ų22.20%010%0.099CC..Hα-helixtrans-66.9-38.6-179.8-57.40000112.1F171 F190 L257 M258 R259 A264 Y265F171-S261 WeakPolarHBondContact CE2-OG 3.12Å; F190-S261 WeakPolarHBondContact CD1-OG 3.32Å; L257-S261 WeakPolarHBondContact O-CB 3.49Å; L257-S261 PolarHBondContact O-N 2.88Å; L257-S261 PolarHBondContact O-OG 3.48Å; M258-S261 PolarHBondContact O-N 2.99Å; R259-S261 VanDerWaalsContact C-N 3.33Å; R259-S261 PolarHBondContact O-N 3.48Å; S261-A264 PolarHBondContact O-N 2.83Å; S261-Y265 VanDerWaalsContact O-CB 3.28Å; S261-Y265 WeakPolarHBondContact O-CB 3.46Å; S261-Y265 PolarHBondContact O-N 2.75Å
262S91.9Very high91.2Very high11 Ų1119 Ų198%0.0779%0.086CC..Hα-helixtrans-69.7-37.1176.969.70000112.3M258 R259 S266M258-S262 WeakPolarHBondContact O-CB 3.3Å; M258-S262 PolarHBondContact O-N 3.36Å; M258-S262 PolarHBondContact O-OG 3.27Å; R259-S262 PolarHBondContact O-N 2.88Å; R259-S262 PolarHBondContact O-OG 2.87Å; S262-S266 WeakPolarHBondContact O-CB 3.22Å; S262-S266 PolarHBondContact O-N 3.14Å; S262-S266 PolarHBondContact O-OG 3.26Å
263Q92.8Very high91.6Very high5 Ų513.3 Ų13.32%0.0236%0.061CC..Hα-helixtrans-66.7-46172.2-66.1-64.4-12.300111.4R259 L260 Y265 S266 I267 H374 V378R259-Q263 VanDerWaalsContact O-CG 3.29Å; R259-Q263 WeakPolarHBondContact O-CG 3.37Å; R259-Q263 PolarHBondContact O-N 2.95Å; L260-Q263 PolarHBondContact O-N 2.86Å; Q263-Y265 VanDerWaalsContact C-N 3.33Å; Q263-Y265 PolarHBondContact O-N 2.88Å; Q263-S266 WeakPolarHBondContact O-CB 3.35Å; Q263-S266 PolarHBondContact O-N 3.47Å; Q263-S266 VanDerWaalsContact O-N 3.14Å; Q263-I267 WeakPolarHBondContact O-CB 3.25Å; Q263-I267 VanDerWaalsContact O-CG1 3.26Å; Q263-I267 WeakPolarHBondContact O-CG1 3.4Å; Q263-I267 PolarHBondContact O-N 3.09Å; Q263-H374 PolarHBondContact OE1-ND1 2.72Å; Q263-V378 HydrophobicContact CB-CG2 3.48Å; Q263-V378 VanDerWaalsContact CB-CG2 3.48Å; Q263-V378 HydrophobicContact CG-CG2 4.01Å
264A94.1Very high92Very high3 Ų312.7 Ų12.73%0.0256%0.059CC..Hα-helixtrans-59.6-42.7176.100000112.2F190 L260 S261 I267 K268 I560F190-A264 HydrophobicContact CB-CB 3.91Å; F190-A264 HydrophobicContact CD2-CB 3.65Å; F190-A264 HydrophobicContact CG-CB 4.16Å; L260-A264 VanDerWaalsContact O-CB 3.24Å; L260-A264 WeakPolarHBondContact O-CB 3Å; L260-A264 PolarHBondContact O-N 3.32Å; S261-A264 PolarHBondContact O-N 2.83Å; A264-I267 PolarHBondContact O-N 3.31Å; A264-K268 WeakPolarHBondContact O-CB 3.3Å; A264-K268 PolarHBondContact O-N 3.48Å; A264-I560 HydrophobicContact CB-CD1 4.16Å; A264-I560 HydrophobicContact CB-CG1 3.97Å
265Y94.2Very high92.3Very high2 Ų214.3 Ų14.31%0.0087%0.067CC..Hα-helixtrans-60.4-46.9172.9-176.3-99.3000111.2F94 I166 F187 V189 S261 Q263 I267 K268 I269F94-Y265 AromaticContact CE2-CE2 3.96Å; F94-Y265 HydrophobicContact CE2-CE2 3.96Å; F94-Y265 HydrophobicContact CZ-CE2 4.35Å; I166-Y265 HydrophobicContact CD1-CD1 3.66Å; I166-Y265 HydrophobicContact CD1-CE1 4.15Å; I166-Y265 HydrophobicContact CG1-CD1 3.91Å; I166-Y265 HydrophobicContact CG1-CE1 4.05Å; F187-Y265 HydrophobicContact CB-CD2 3.74Å; F187-Y265 HydrophobicContact CB-CE2 4.49Å; F187-Y265 HydrophobicContact CB-CG 3.89Å; F187-Y265 HydrophobicContact CG-CG 4.43Å; F187-Y265 WeakPolarHBondContact O-CD2 3.21Å; V189-Y265 HydrophobicContact CB-CD2 4.38Å; V189-Y265 HydrophobicContact CG2-CD2 3.67Å; V189-Y265 HydrophobicContact CG2-CE2 4.3Å; S261-Y265 VanDerWaalsContact O-CB 3.28Å; S261-Y265 WeakPolarHBondContact O-CB 3.46Å; S261-Y265 PolarHBondContact O-N 2.75Å; Q263-Y265 VanDerWaalsContact C-N 3.33Å; Q263-Y265 PolarHBondContact O-N 2.88Å; Y265-I267 PolarHBondContact O-N 3.08Å; Y265-K268 PolarHBondContact O-N 2.87Å; Y265-I269 HydrophobicContact CD1-CG1 4.32Å; Y265-I269 HydrophobicContact CE1-CG1 4.02Å; Y265-I269 HydrophobicContact CE2-CD1 4.46Å; Y265-I269 HydrophobicContact CE2-CG1 4.46Å; Y265-I269 WeakPolarHBondContact O-CG1 3.11Å; Y265-I269 PolarHBondContact O-N 3.47Å
266S93.4Very high92.5Very high2 Ų213 Ų131%0.0146%0.061CC..Hα-helixtrans-61.2-42.2176.7-58.90000113I166 S262 Q263 T270 H374I166-S266 WeakPolarHBondContact CD1-OG 3.22Å; S262-S266 WeakPolarHBondContact O-CB 3.22Å; S262-S266 PolarHBondContact O-N 3.14Å; S262-S266 PolarHBondContact O-OG 3.26Å; Q263-S266 WeakPolarHBondContact O-CB 3.35Å; Q263-S266 PolarHBondContact O-N 3.47Å; Q263-S266 VanDerWaalsContact O-N 3.14Å; S266-T270 VanDerWaalsContact O-CB 3.28Å; S266-T270 WeakPolarHBondContact O-CB 3.2Å; S266-T270 PolarHBondContact O-N 2.89Å; S266-T270 PolarHBondContact O-OG1 3.21Å; S266-H374 VanDerWaalsContact CB-CE1 3.44Å; S266-H374 WeakPolarHBondContact CB-CE1 3.33Å
267I95.5Very high92.6Very high0 Ų011.8 Ų11.80%06%0.056CC..Hα-helixtrans-60.7-47.5175.3-71.6162.8000109.8Q263 A264 Y265 T270 K271 L371 H374 V375 V378 I556 L559Q263-I267 WeakPolarHBondContact O-CB 3.25Å; Q263-I267 VanDerWaalsContact O-CG1 3.26Å; Q263-I267 WeakPolarHBondContact O-CG1 3.4Å; Q263-I267 PolarHBondContact O-N 3.09Å; A264-I267 PolarHBondContact O-N 3.31Å; Y265-I267 PolarHBondContact O-N 3.08Å; I267-T270 PolarHBondContact O-N 3.31Å; I267-K271 VanDerWaalsContact O-CB 3.27Å; I267-K271 WeakPolarHBondContact O-CB 3.49Å; I267-K271 PolarHBondContact O-N 3.19Å; I267-L371 HydrophobicContact CB-CD2 4.38Å; I267-L371 HydrophobicContact CG2-CD2 4Å; I267-H374 HydrophobicContact CD1-CB 4.23Å; I267-H374 HydrophobicContact CG1-CB 3.66Å; I267-V375 HydrophobicContact CD1-CG2 3.74Å; I267-V375 HydrophobicContact CG1-CG2 4.1Å; I267-V378 HydrophobicContact CD1-CG2 4.27Å; I267-I556 HydrophobicContact CG2-CD1 4.01Å; I267-I556 HydrophobicContact CG2-CG1 3.98Å; I267-I556 HydrophobicContact CG2-CG2 4.24Å; I267-L559 HydrophobicContact CD1-CD2 4.13Å
268K94.8Very high92.7Very high63 Ų6311.8 Ų11.827%0.2746%0.056SC..Hα-helixtrans-60.9-47.6179.9178.558.7177.4170.20112V189 A264 Y265 K271 S272V189-K268 HydrophobicContact CG1-CB 3.86Å; V189-K268 HydrophobicContact CG1-CG 4.06Å; V189-K268 HydrophobicContact CG2-CG 4.35Å; A264-K268 WeakPolarHBondContact O-CB 3.3Å; A264-K268 PolarHBondContact O-N 3.48Å; Y265-K268 PolarHBondContact O-N 2.87Å; K268-K271 PolarHBondContact O-N 3.11Å; K268-S272 PolarHBondContact O-N 3.33Å; K268-S272 PolarHBondContact O-OG 3.02Å
269I93.6Very high92.8Very high1 Ų114.7 Ų14.71%0.0057%0.072CC..Hα-helixtrans-65.8-44.2179-61.8-59.5000111.4F94 Y159 L162 L163 Y265 K271 S272 L273F94-I269 HydrophobicContact CD2-CD1 3.7Å; F94-I269 HydrophobicContact CE2-CD1 4.02Å; Y159-I269 HydrophobicContact CD1-CD1 4.05Å; Y159-I269 HydrophobicContact CD1-CG2 3.76Å; Y159-I269 HydrophobicContact CE1-CD1 4.19Å; Y159-I269 HydrophobicContact CG-CG2 4.4Å; L162-I269 HydrophobicContact CB-CD1 4.48Å; L162-I269 HydrophobicContact CD1-CD1 4.08Å; L163-I269 HydrophobicContact CD1-CG2 4.06Å; L163-I269 HydrophobicContact CD2-CB 3.83Å; L163-I269 HydrophobicContact CD2-CG2 3.74Å; L163-I269 HydrophobicContact CG-CB 4.24Å; L163-I269 HydrophobicContact CG-CG2 3.58Å; Y265-I269 HydrophobicContact CD1-CG1 4.32Å; Y265-I269 HydrophobicContact CE1-CG1 4.02Å; Y265-I269 HydrophobicContact CE2-CD1 4.46Å; Y265-I269 HydrophobicContact CE2-CG1 4.46Å; Y265-I269 WeakPolarHBondContact O-CG1 3.11Å; Y265-I269 PolarHBondContact O-N 3.47Å; I269-K271 VanDerWaalsContact C-N 3.28Å; I269-K271 PolarHBondContact O-N 2.88Å; I269-S272 WeakPolarHBondContact O-CB 3.48Å; I269-S272 PolarHBondContact O-N 3.28Å; I269-L273 PolarHBondContact O-N 3.22Å; I269-L273 VanDerWaalsContact O-N 3.1Å
270T94.1Very high92.7Very high0 Ų011.6 Ų11.60%06%0.06CC..Hα-helixtrans-63.2-36.6177.4-53.60000111.2S266 I267 L273 L274 F367 R370 L371S266-T270 VanDerWaalsContact O-CB 3.28Å; S266-T270 WeakPolarHBondContact O-CB 3.2Å; S266-T270 PolarHBondContact O-N 2.89Å; S266-T270 PolarHBondContact O-OG1 3.21Å; I267-T270 PolarHBondContact O-N 3.31Å; T270-L273 PolarHBondContact O-N 2.89Å; T270-L274 PolarHBondContact O-N 3.26Å; T270-F367 HydrophobicContact CG2-CB 4.12Å; T270-F367 HydrophobicContact CG2-CD1 4.08Å; T270-R370 HydrophobicContact CG2-CB 4.06Å; T270-R370 HydrophobicContact CG2-CG 4.09Å; T270-L371 HydrophobicContact CG2-CD2 3.94Å; T270-L371 HydrophobicContact CG2-CG 3.71Å
271K95.4Very high92.6Very high2 Ų211.5 Ų11.51%0.0096%0.06CC..Hα-helixtrans-64.2-41.5173.9-178.958.2167.470.60112.3I267 K268 I269 L273 L274 D275 I548 M552 N553 I556I267-K271 VanDerWaalsContact O-CB 3.27Å; I267-K271 WeakPolarHBondContact O-CB 3.49Å; I267-K271 PolarHBondContact O-N 3.19Å; K268-K271 PolarHBondContact O-N 3.11Å; I269-K271 VanDerWaalsContact C-N 3.28Å; I269-K271 PolarHBondContact O-N 2.88Å; K271-L273 VanDerWaalsContact C-N 3.3Å; K271-L273 PolarHBondContact O-N 3.02Å; K271-L274 HydrophobicContact CD-CD2 4.11Å; K271-L274 WeakPolarHBondContact O-CB 3.4Å; K271-L274 PolarHBondContact O-N 2.93Å; K271-D275 IonicContact NZ-OD1 3.75Å; K271-D275 PolarHBondContact NZ-OD1 3.15Å; K271-D275 IonicContact NZ-OD2 2.83Å; K271-D275 PolarHBondContact NZ-OD2 2.89Å; K271-D275 PolarHBondContact O-N 2.83Å; K271-I548 WeakPolarHBondContact CE-O 3.46Å; K271-I548 PolarHBondContact NZ-O 3.04Å; K271-M552 HydrophobicContact CD-CG 4.33Å; K271-M552 HydrophobicContact CD-SD 3.73Å; K271-N553 WeakPolarHBondContact CE-OD1 3.28Å; K271-N553 PolarHBondContact NZ-OD1 2.71Å; K271-I556 HydrophobicContact CB-CD1 3.94Å; K271-I556 HydrophobicContact CD-CD1 3.94Å; K271-I556 HydrophobicContact CG-CD1 3.7Å
272S92.8Very high92.6Very high21 Ų2112.4 Ų12.415%0.1477%0.066CC..Hα-helixtrans-60.9-39.7174.6-63.30000112.1K268 I269 D275 W276K268-S272 PolarHBondContact O-N 3.33Å; K268-S272 PolarHBondContact O-OG 3.02Å; I269-S272 WeakPolarHBondContact O-CB 3.48Å; I269-S272 PolarHBondContact O-N 3.28Å; S272-D275 PolarHBondContact O-N 3.46Å; S272-W276 PolarHBondContact O-N 3.13Å
273L91.7Very high92.3Very high1 Ų113.6 Ų13.61%0.0057%0.071CC..Hα-helixtrans-66-39.3174.1-74.2168.1000112.3V139 V156 Y159 L163 I269 T270 K271 W276 S277 F367V139-L273 HydrophobicContact CG1-CD1 4.49Å; V156-L273 HydrophobicContact CB-CD2 4.49Å; V156-L273 HydrophobicContact CG1-CD2 4.05Å; V156-L273 HydrophobicContact CG2-CD2 4.46Å; Y159-L273 HydrophobicContact CD2-CD2 4.23Å; Y159-L273 HydrophobicContact CG-CD2 4.24Å; Y159-L273 HydrophobicContact CG-CG 4.34Å; L163-L273 HydrophobicContact CD1-CD1 4.05Å; I269-L273 PolarHBondContact O-N 3.22Å; I269-L273 VanDerWaalsContact O-N 3.1Å; T270-L273 PolarHBondContact O-N 2.89Å; K271-L273 VanDerWaalsContact C-N 3.3Å; K271-L273 PolarHBondContact O-N 3.02Å; L273-W276 WeakPolarHBondContact O-CB 3.27Å; L273-W276 PolarHBondContact O-N 2.97Å; L273-S277 PolarHBondContact O-N 2.81Å; L273-S277 PolarHBondContact O-OG 2.88Å; L273-F367 HydrophobicContact CB-CD1 4.09Å; L273-F367 HydrophobicContact CB-CD2 4.24Å; L273-F367 HydrophobicContact CB-CE1 3.79Å; L273-F367 HydrophobicContact CB-CE2 3.94Å; L273-F367 HydrophobicContact CB-CG 4.33Å; L273-F367 HydrophobicContact CB-CZ 3.71Å; L273-F367 HydrophobicContact CD1-CD1 4.45Å; L273-F367 HydrophobicContact CD1-CE1 3.75Å; L273-F367 HydrophobicContact CD1-CZ 4.14Å; L273-F367 HydrophobicContact CD2-CZ 4.34Å; L273-F367 HydrophobicContact CG-CE1 4.31Å; L273-F367 HydrophobicContact CG-CZ 4.29Å
274L94.4Very high92Very high0 Ų014.7 Ų14.70%08%0.079CC..Hα-helixtrans-62.5-45.9173.917564.4000111.9T270 K271 W276 S277 F278 I364 F367 L368 L371 I548 M552T270-L274 PolarHBondContact O-N 3.26Å; K271-L274 HydrophobicContact CD-CD2 4.11Å; K271-L274 WeakPolarHBondContact O-CB 3.4Å; K271-L274 PolarHBondContact O-N 2.93Å; L274-W276 VanDerWaalsContact C-N 3.29Å; L274-W276 PolarHBondContact O-N 2.82Å; L274-S277 PolarHBondContact O-N 2.81Å; L274-F278 WeakPolarHBondContact O-CB 3.43Å; L274-F278 PolarHBondContact O-N 3.19Å; L274-I364 HydrophobicContact CD1-CB 4.34Å; L274-I364 HydrophobicContact CD1-CG1 4.41Å; L274-I364 HydrophobicContact CD1-CG2 3.88Å; L274-F367 HydrophobicContact CB-CB 4.13Å; L274-F367 HydrophobicContact CD1-CB 4.38Å; L274-L368 HydrophobicContact CD1-CD2 4.38Å; L274-L368 HydrophobicContact CD1-CG 4.27Å; L274-L368 HydrophobicContact CD2-CD2 3.77Å; L274-L368 HydrophobicContact CD2-CG 4.48Å; L274-L371 HydrophobicContact CD2-CD1 3.83Å; L274-I548 HydrophobicContact CD1-CD1 4.38Å; L274-I548 HydrophobicContact CD2-CG2 4.2Å; L274-I548 HydrophobicContact CG-CG2 4.22Å; L274-M552 HydrophobicContact CD2-CE 4.3Å; L274-M552 HydrophobicContact CD2-SD 3.81Å
275D92.9Very high91.7Very high36 Ų3614.8 Ų14.819%0.1938%0.079CC..Hα-helixtrans-60.9-40.9177.1-74.5-31.8000111.2K271 S272 F278 N279 I548K271-D275 IonicContact NZ-OD1 3.75Å; K271-D275 PolarHBondContact NZ-OD1 3.15Å; K271-D275 IonicContact NZ-OD2 2.83Å; K271-D275 PolarHBondContact NZ-OD2 2.89Å; K271-D275 PolarHBondContact O-N 2.83Å; S272-D275 PolarHBondContact O-N 3.46Å; D275-F278 PolarHBondContact O-N 2.89Å; D275-N279 WeakPolarHBondContact O-CB 3.34Å; D275-N279 PolarHBondContact O-N 2.83Å; D275-N279 PolarHBondContact O-ND2 2.8Å; D275-I548 VanDerWaalsContact OD1-CG2 3.32Å; D275-I548 WeakPolarHBondContact OD1-CG2 3.19Å
276W88.9Confident91.3Very high15 Ų1519 Ų196%0.05710%0.099CC..Hα-helixtrans-59.6-51.1173170.277.5000112.1F145 F151 V156 S272 L273 L274 F278 N279 Q280F145-W276 AromaticContact CD1-CH2 3.34Å; F145-W276 HydrophobicContact CD1-CH2 3.34Å; F145-W276 HydrophobicContact CD1-CZ2 4.18Å; F145-W276 AromaticContact CD1-CZ3 3.81Å; F145-W276 HydrophobicContact CD1-CZ3 3.81Å; F145-W276 AromaticContact CE1-CH2 3.56Å; F145-W276 HydrophobicContact CE1-CH2 3.56Å; F145-W276 AromaticContact CE1-CZ3 3.47Å; F145-W276 HydrophobicContact CE1-CZ3 3.47Å; F145-W276 VanDerWaalsContact CE1-CZ3 3.47Å; F151-W276 AromaticContact CD1-CD1 3.39Å; F151-W276 HydrophobicContact CD1-CG 4.17Å; F151-W276 AromaticContact CD1-NE1 3.71Å; F151-W276 AromaticContact CD2-CD1 3.9Å; F151-W276 AromaticContact CG-CD1 3.28Å; F151-W276 HydrophobicContact CG-CG 4.4Å; F151-W276 AromaticContact CG-NE1 3.5Å; V156-W276 HydrophobicContact CG2-CD2 4.13Å; V156-W276 HydrophobicContact CG2-CE3 4.12Å; V156-W276 HydrophobicContact CG2-CH2 4.04Å; V156-W276 HydrophobicContact CG2-CZ2 3.98Å; V156-W276 HydrophobicContact CG2-CZ3 4.09Å; S272-W276 PolarHBondContact O-N 3.13Å; L273-W276 WeakPolarHBondContact O-CB 3.27Å; L273-W276 PolarHBondContact O-N 2.97Å; L274-W276 VanDerWaalsContact C-N 3.29Å; L274-W276 PolarHBondContact O-N 2.82Å; W276-F278 VanDerWaalsContact C-N 3.3Å; W276-F278 PolarHBondContact O-N 3.25Å; W276-N279 PolarHBondContact O-N 2.91Å; W276-Q280 HydrophobicContact CD2-CG 4.31Å; W276-Q280 HydrophobicContact CH2-CG 4.29Å; W276-Q280 HydrophobicContact CZ2-CG 3.78Å; W276-Q280 WeakPolarHBondContact O-CG 3.22Å; W276-Q280 PolarHBondContact O-N 2.91Å
277S90.4Very high90.7Very high0 Ų024.1 Ų24.10%013%0.126CC..Hα-helixtrans-60.9-38.6178.6-70.20000112.7L273 L274 Q280 V281 Q363 F367L273-S277 PolarHBondContact O-N 2.81Å; L273-S277 PolarHBondContact O-OG 2.88Å; L274-S277 PolarHBondContact O-N 2.81Å; S277-Q280 PolarHBondContact O-N 3.02Å; S277-V281 PolarHBondContact O-N 2.77Å; S277-Q363 WeakPolarHBondContact OG-CB 3.26Å; S277-Q363 PolarHBondContact OG-OE1 3.41Å; S277-F367 WeakPolarHBondContact OG-CE2 3.48Å
278F93.5Very high90.1Very high0 Ų024.8 Ų24.80%013%0.129CC..Hα-helixtrans-65.8-42.2175.5-177.3-103.8000111.6L274 D275 W276 Q280 V281 C282 I364 I489 L544 A545 I548 Q549L274-F278 WeakPolarHBondContact O-CB 3.43Å; L274-F278 PolarHBondContact O-N 3.19Å; D275-F278 PolarHBondContact O-N 2.89Å; W276-F278 VanDerWaalsContact C-N 3.3Å; W276-F278 PolarHBondContact O-N 3.25Å; F278-Q280 VanDerWaalsContact C-N 3.29Å; F278-Q280 PolarHBondContact O-N 3.39Å; F278-V281 WeakPolarHBondContact O-CB 3.23Å; F278-V281 PolarHBondContact O-N 2.98Å; F278-C282 PolarHBondContact O-N 2.97Å; F278-C282 VanDerWaalsContact O-N 3.11Å; F278-C282 PolarHBondContact O-SG 3.44Å; F278-I364 HydrophobicContact CD2-CD1 4.49Å; F278-I489 HydrophobicContact CE2-CG2 4.43Å; F278-I489 HydrophobicContact CZ-CB 4.33Å; F278-L544 HydrophobicContact CD2-CD2 4.11Å; F278-L544 HydrophobicContact CD2-CG 4.25Å; F278-L544 HydrophobicContact CE2-CB 4.13Å; F278-L544 HydrophobicContact CE2-CD2 3.79Å; F278-L544 HydrophobicContact CE2-CG 3.75Å; F278-A545 HydrophobicContact CE1-CB 4.19Å; F278-A545 HydrophobicContact CZ-CB 3.86Å; F278-I548 HydrophobicContact CB-CD1 4.3Å; F278-I548 HydrophobicContact CD2-CD1 3.69Å; F278-I548 HydrophobicContact CE2-CD1 4.25Å; F278-I548 HydrophobicContact CG-CD1 4.05Å; F278-Q549 HydrophobicContact CD1-CG 4.46Å; F278-Q549 HydrophobicContact CE1-CG 4.39Å
279N90.9Very high89.4Confident72 Ų7222.7 Ų22.739%0.38512%0.121SC..Hα-helixtrans-63.4-34.5175.1-69.8-22.3000112.4D275 W276 V281 C282 I283D275-N279 WeakPolarHBondContact O-CB 3.34Å; D275-N279 PolarHBondContact O-N 2.83Å; D275-N279 PolarHBondContact O-ND2 2.8Å; W276-N279 PolarHBondContact O-N 2.91Å; N279-V281 VanDerWaalsContact C-N 3.29Å; N279-V281 PolarHBondContact O-N 2.81Å; N279-C282 WeakPolarHBondContact O-CB 3.33Å; N279-C282 PolarHBondContact O-N 2.85Å; N279-I283 WeakPolarHBondContact O-CG1 3.47Å; N279-I283 PolarHBondContact O-N 2.84Å
280Q86.6Confident88.8Confident6 Ų628.2 Ų28.23%0.02815%0.15CC..Hα-helixtrans-62.4-36.5172.7-67.6-64.9-5800112S147 V149 W276 S277 F278 C284 I359S147-Q280 PolarHBondContact OG-OE1 3.09Å; V149-Q280 PolarHBondContact O-NE2 2.86Å; W276-Q280 HydrophobicContact CD2-CG 4.31Å; W276-Q280 HydrophobicContact CH2-CG 4.29Å; W276-Q280 HydrophobicContact CZ2-CG 3.78Å; W276-Q280 WeakPolarHBondContact O-CG 3.22Å; W276-Q280 PolarHBondContact O-N 2.91Å; S277-Q280 PolarHBondContact O-N 3.02Å; F278-Q280 VanDerWaalsContact C-N 3.29Å; F278-Q280 PolarHBondContact O-N 3.39Å; Q280-C284 WeakPolarHBondContact O-CB 3.34Å; Q280-C284 PolarHBondContact O-N 2.97Å; Q280-C284 PolarHBondContact O-SG 2.98Å; Q280-I359 HydrophobicContact CB-CD1 4.18Å
281V90.7Very high88.1Confident1 Ų131.7 Ų31.71%0.00617%0.166CC..Hα-helixtrans-62.4-46.5172.3169.30000110.9S277 F278 N279 C284 W285 I356 I359 I364 I489S277-V281 PolarHBondContact O-N 2.77Å; F278-V281 WeakPolarHBondContact O-CB 3.23Å; F278-V281 PolarHBondContact O-N 2.98Å; N279-V281 VanDerWaalsContact C-N 3.29Å; N279-V281 PolarHBondContact O-N 2.81Å; V281-C284 PolarHBondContact O-N 3.41Å; V281-W285 WeakPolarHBondContact O-CB 3.37Å; V281-W285 PolarHBondContact O-N 3.29Å; V281-I356 HydrophobicContact CB-CG2 4.5Å; V281-I356 HydrophobicContact CG1-CG1 4.46Å; V281-I356 HydrophobicContact CG1-CG2 3.67Å; V281-I356 HydrophobicContact CG2-CG2 4.25Å; V281-I359 HydrophobicContact CG2-CB 4.04Å; V281-I359 HydrophobicContact CG2-CG2 3.56Å; V281-I364 HydrophobicContact CG2-CD1 3.94Å; V281-I489 HydrophobicContact CG1-CG2 3.91Å
282C91.5Very high87.4Confident20 Ų2031.7 Ų31.714%0.13517%0.166CC..Hα-helixtrans-58.7-49.5178-60.90000111.6F278 N279 C284 W285 E286F278-C282 PolarHBondContact O-N 2.97Å; F278-C282 VanDerWaalsContact O-N 3.11Å; F278-C282 PolarHBondContact O-SG 3.44Å; N279-C282 WeakPolarHBondContact O-CB 3.33Å; N279-C282 PolarHBondContact O-N 2.85Å; C282-C284 PolarHBondContact O-N 2.86Å; C282-W285 PolarHBondContact O-N 3.2Å; C282-E286 WeakPolarHBondContact O-CG 3.29Å; C282-E286 PolarHBondContact O-N 2.76Å
283I86.7Confident87Confident36 Ų3632.4 Ų32.419%0.18517%0.168CC..Hα-helixtrans-61.3-47.5179.4-65.8165.1000110.9V149 N279 W285 E286 D287V149-I283 HydrophobicContact CB-CG2 4.4Å; V149-I283 HydrophobicContact CG1-CG2 4.23Å; V149-I283 HydrophobicContact CG2-CG2 4.44Å; N279-I283 WeakPolarHBondContact O-CG1 3.47Å; N279-I283 PolarHBondContact O-N 2.84Å; I283-W285 PolarHBondContact O-N 3.38Å; I283-E286 PolarHBondContact O-N 2.96Å; I283-D287 PolarHBondContact O-N 2.89Å
284C85.6Confident86.7Confident28 Ų2835.2 Ų35.219%0.18919%0.191CC..Hα-helixtrans-59.1-35.5178.6-720000112.5Q280 V281 C282 M288 I356Q280-C284 WeakPolarHBondContact O-CB 3.34Å; Q280-C284 PolarHBondContact O-N 2.97Å; Q280-C284 PolarHBondContact O-SG 2.98Å; V281-C284 PolarHBondContact O-N 3.41Å; C282-C284 PolarHBondContact O-N 2.86Å; C284-M288 WeakPolarHBondContact O-CB 3.39Å; C284-M288 PolarHBondContact O-N 3.22Å; C284-I356 HydrophobicContact CB-CD1 4.24Å; C284-I356 HydrophobicContact CB-CG1 3.75Å
285W88.6Confident86.4Confident4 Ų438 Ų382%0.01520%0.204CC..Hα-helixtrans-75.3-42177176.888.4000112V281 C282 I283 M288 I289 I356 D483 V485 E486 I489V281-W285 WeakPolarHBondContact O-CB 3.37Å; V281-W285 PolarHBondContact O-N 3.29Å; C282-W285 PolarHBondContact O-N 3.2Å; I283-W285 PolarHBondContact O-N 3.38Å; W285-M288 WeakPolarHBondContact O-CB 3.41Å; W285-M288 PolarHBondContact O-N 3.2Å; W285-M288 VanDerWaalsContact O-N 3.17Å; W285-I289 HydrophobicContact CD2-CG2 4.33Å; W285-I289 HydrophobicContact CE3-CG2 4.21Å; W285-I289 HydrophobicContact CH2-CB 4.49Å; W285-I289 HydrophobicContact CH2-CG1 4.46Å; W285-I289 HydrophobicContact CH2-CG2 3.87Å; W285-I289 HydrophobicContact CZ2-CB 4.1Å; W285-I289 HydrophobicContact CZ2-CG1 3.94Å; W285-I289 HydrophobicContact CZ2-CG2 3.98Å; W285-I289 HydrophobicContact CZ3-CG2 3.99Å; W285-I289 WeakPolarHBondContact O-CG2 3.23Å; W285-I289 PolarHBondContact O-N 2.96Å; W285-I356 HydrophobicContact CB-CD1 3.89Å; W285-D483 VanDerWaalsContact NE1-CG 3.29Å; W285-D483 PolarHBondContact NE1-OD1 2.89Å; W285-D483 PolarHBondContact NE1-OD2 2.67Å; W285-V485 HydrophobicContact CG-CG1 4.18Å; W285-E486 HydrophobicContact CH2-CB 3.88Å; W285-E486 HydrophobicContact CH2-CG 3.52Å; W285-E486 HydrophobicContact CZ2-CB 3.46Å; W285-E486 VanDerWaalsContact CZ2-CB 3.46Å; W285-E486 HydrophobicContact CZ2-CG 3.69Å; W285-E486 HydrophobicContact CZ3-CG 4.34Å; W285-I489 HydrophobicContact CB-CD1 3.9Å; W285-I489 HydrophobicContact CD2-CD1 3.55Å; W285-I489 HydrophobicContact CE3-CD1 3.55Å; W285-I489 HydrophobicContact CG-CD1 3.71Å; W285-I489 HydrophobicContact CZ3-CD1 4.31Å
286E85.8Confident86.2Confident91 Ų9136.4 Ų36.443%0.42520%0.195SC..Hα-helixtrans-60.8-46.6177.5-74.4178.8169.300111.3C282 I283 M288 I289 L290C282-E286 WeakPolarHBondContact O-CG 3.29Å; C282-E286 PolarHBondContact O-N 2.76Å; I283-E286 PolarHBondContact O-N 2.96Å; E286-M288 PolarHBondContact O-N 2.76Å; E286-I289 PolarHBondContact O-N 2.91Å; E286-L290 WeakPolarHBondContact O-CD1 3.34Å; E286-L290 VanDerWaalsContact O-CG 3.23Å; E286-L290 WeakPolarHBondContact O-CG 3.32Å
287D80Confident86.2Confident110 Ų11036 Ų3659%0.58819%0.194SC*.Hα-helixtrans-60.9-31.1177-72.8-20.1000112.5I283I283-D287 PolarHBondContact O-N 2.89Å
288M83.1Confident86.1Confident13 Ų1341 Ų416%0.06422%0.216CC..Hα-helixtrans-77.3-50.4-178.5-179.4-164.67400112.9C284 W285 E286 L290 T349 A352 Y353C284-M288 WeakPolarHBondContact O-CB 3.39Å; C284-M288 PolarHBondContact O-N 3.22Å; W285-M288 WeakPolarHBondContact O-CB 3.41Å; W285-M288 PolarHBondContact O-N 3.2Å; W285-M288 VanDerWaalsContact O-N 3.17Å; E286-M288 PolarHBondContact O-N 2.76Å; M288-L290 VanDerWaalsContact C-N 3.34Å; M288-L290 PolarHBondContact O-N 3.12Å; M288-T349 HydrophobicContact CG-CG2 3.96Å; M288-T349 HydrophobicContact SD-CG2 3.79Å; M288-A352 HydrophobicContact CB-CB 3.72Å; M288-A352 HydrophobicContact CG-CB 3.75Å; M288-A352 HydrophobicContact SD-CB 3.81Å; M288-Y353 HydrophobicContact CE-CD2 4.18Å; M288-Y353 HydrophobicContact CE-CE2 3.5Å; M288-Y353 HydrophobicContact SD-CD2 3.34Å; M288-Y353 WeakPolarHBondContact SD-CD2 3.32Å; M288-Y353 HydrophobicContact SD-CE2 3.27Å; M288-Y353 WeakPolarHBondContact SD-CE2 3.41Å; M288-Y353 HydrophobicContact SD-CG 4.29Å
289I81Confident86Confident19 Ų1941.2 Ų41.210%0.09722%0.217CC..Hα-helixtrans-72.4-29.1-165.7-166.158.6000112.7W285 E286 E291 M292 D293 V482 D483W285-I289 HydrophobicContact CD2-CG2 4.33Å; W285-I289 HydrophobicContact CE3-CG2 4.21Å; W285-I289 HydrophobicContact CH2-CB 4.49Å; W285-I289 HydrophobicContact CH2-CG1 4.46Å; W285-I289 HydrophobicContact CH2-CG2 3.87Å; W285-I289 HydrophobicContact CZ2-CB 4.1Å; W285-I289 HydrophobicContact CZ2-CG1 3.94Å; W285-I289 HydrophobicContact CZ2-CG2 3.98Å; W285-I289 HydrophobicContact CZ3-CG2 3.99Å; W285-I289 WeakPolarHBondContact O-CG2 3.23Å; W285-I289 PolarHBondContact O-N 2.96Å; E286-I289 PolarHBondContact O-N 2.91Å; I289-E291 VanDerWaalsContact C-N 3.28Å; I289-E291 PolarHBondContact O-N 2.93Å; I289-E291 VanDerWaalsContact O-N 3.16Å; I289-M292 PolarHBondContact O-N 3.34Å; I289-D293 HydrophobicContact CG1-CB 4.42Å; I289-D293 WeakPolarHBondContact O-CB 3.5Å; I289-D293 PolarHBondContact O-N 2.6Å; I289-V482 HydrophobicContact CD1-CB 4.11Å; I289-D483 VanDerWaalsContact CD1-OD2 3.22Å; I289-D483 WeakPolarHBondContact CD1-OD2 3.39Å
290L79.6Confident86Confident117 Ų11737.8 Ų37.861%0.61320%0.198SC*.Hα-helixtrans-54.1-38.8-173-75.8167.5000113.5E286 M288 A294E286-L290 WeakPolarHBondContact O-CD1 3.34Å; E286-L290 VanDerWaalsContact O-CG 3.23Å; E286-L290 WeakPolarHBondContact O-CG 3.32Å; M288-L290 VanDerWaalsContact C-N 3.34Å; M288-L290 PolarHBondContact O-N 3.12Å; L290-A294 WeakPolarHBondContact O-CB 3.26Å; L290-A294 PolarHBondContact O-N 2.78Å
291E79Confident86.2Confident73 Ų7343.4 Ų43.434%0.34122%0.219SC..Hα-helixtrans-75-44.8-177.5-167.7177.3-16900112.5I289 K295 T345I289-E291 VanDerWaalsContact C-N 3.28Å; I289-E291 PolarHBondContact O-N 2.93Å; I289-E291 VanDerWaalsContact O-N 3.16Å; E291-K295 VanDerWaalsContact O-CG 3.28Å; E291-K295 WeakPolarHBondContact O-CG 3.34Å; E291-K295 PolarHBondContact O-N 3.06Å; E291-T345 HydrophobicContact CB-CG2 4.13Å; E291-T345 HydrophobicContact CG-CG2 3.99Å; E291-T345 PolarHBondContact OE1-OG1 2.93Å; E291-T345 WeakPolarHBondContact OE2-CA 3.47Å; E291-T345 VanDerWaalsContact OE2-CB 3.28Å; E291-T345 WeakPolarHBondContact OE2-CB 3.42Å; E291-T345 VanDerWaalsContact OE2-CG2 3.28Å; E291-T345 WeakPolarHBondContact OE2-CG2 3.48Å; E291-T345 PolarHBondContact OE2-OG1 3.06Å
292M82.1Confident86.1Confident3 Ų347.3 Ų47.32%0.01524%0.238CC..Hα-helixtrans-67.9-47.5-179-71.2-174.777.600111.4I289 K295 F296 T345 T349 L426 F430 V482I289-M292 PolarHBondContact O-N 3.34Å; M292-K295 PolarHBondContact O-N 3.24Å; M292-F296 HydrophobicContact CE-CE2 4.14Å; M292-F296 VanDerWaalsContact O-CD2 3.26Å; M292-F296 WeakPolarHBondContact O-CD2 3.17Å; M292-F296 PolarHBondContact O-N 2.98Å; M292-F296 VanDerWaalsContact O-N 3.1Å; M292-T345 HydrophobicContact CG-CG2 3.81Å; M292-T349 HydrophobicContact SD-CG2 3.96Å; M292-L426 HydrophobicContact CE-CD2 4.08Å; M292-F430 HydrophobicContact CE-CE1 4.2Å; M292-F430 HydrophobicContact CE-CE2 4.48Å; M292-F430 HydrophobicContact CE-CZ 3.67Å; M292-F430 HydrophobicContact SD-CE2 4.48Å; M292-F430 HydrophobicContact SD-CZ 3.69Å; M292-V482 HydrophobicContact CE-CG1 3.55Å; M292-V482 HydrophobicContact SD-CG1 4.27Å
293D83.8Confident86.1Confident35 Ų3547.9 Ų47.919%0.18724%0.237CC..Hα-helixtrans-61.2-48.3178.9179.625.9000110.6I289 K295 F296 T297 N479 Y480I289-D293 HydrophobicContact CG1-CB 4.42Å; I289-D293 WeakPolarHBondContact O-CB 3.5Å; I289-D293 PolarHBondContact O-N 2.6Å; D293-K295 VanDerWaalsContact C-N 3.3Å; D293-K295 PolarHBondContact O-N 3.14Å; D293-F296 PolarHBondContact O-N 3.09Å; D293-T297 WeakPolarHBondContact O-CB 3.12Å; D293-T297 PolarHBondContact O-N 3.24Å; D293-T297 PolarHBondContact O-OG1 2.91Å; D293-T297 PolarHBondContact OD1-OG1 2.77Å; D293-N479 VanDerWaalsContact OD1-CB 3.31Å; D293-N479 WeakPolarHBondContact OD1-CB 3.4Å; D293-N479 WeakPolarHBondContact OD2-CB 3.41Å; D293-Y480 PolarHBondContact OD1-N 2.77Å; D293-Y480 VanDerWaalsContact OD1-N 3.11Å
294A85.1Confident86.2Confident60 Ų6047.8 Ų47.850%0.49624%0.237SC..Hα-helixtrans-58.3-40.4179.900000112.9L290 K298L290-A294 WeakPolarHBondContact O-CB 3.26Å; L290-A294 PolarHBondContact O-N 2.78Å; A294-K298 WeakPolarHBondContact O-CB 3.42Å; A294-K298 PolarHBondContact O-N 3.39Å
295K87.8Confident86.3Confident59 Ų5954.8 Ų54.826%0.25726%0.264SS..Hα-helixtrans-69.5-49.7-179.8-71.2-71.2-178.11770112.2E291 M292 D293 Y299 F332 D336 W337E291-K295 VanDerWaalsContact O-CG 3.28Å; E291-K295 WeakPolarHBondContact O-CG 3.34Å; E291-K295 PolarHBondContact O-N 3.06Å; M292-K295 PolarHBondContact O-N 3.24Å; D293-K295 VanDerWaalsContact C-N 3.3Å; D293-K295 PolarHBondContact O-N 3.14Å; K295-Y299 PolarHBondContact O-N 3.24Å; K295-Y299 VanDerWaalsContact O-N 3.13Å; K295-F332 HydrophobicContact CB-CE2 4.48Å; K295-F332 HydrophobicContact CB-CZ 4.32Å; K295-D336 PolarHBondContact NZ-O 2.8Å; K295-W337 HydrophobicContact CB-CD2 4.39Å; K295-W337 HydrophobicContact CB-CE3 4.31Å; K295-W337 HydrophobicContact CB-CZ3 4.49Å; K295-W337 HydrophobicContact CD-CG 4.46Å; K295-W337 HydrophobicContact CG-CD2 4.39Å
296F88.8Confident86.2Confident3 Ų362.4 Ų62.41%0.01330%0.299CS..Hα-helixtrans-66.9-43179.1-73.8-55.9000112.2M292 D293 K298 Y299 A300 L312 W337 F429 L468 Y480 V482M292-F296 HydrophobicContact CE-CE2 4.14Å; M292-F296 VanDerWaalsContact O-CD2 3.26Å; M292-F296 WeakPolarHBondContact O-CD2 3.17Å; M292-F296 PolarHBondContact O-N 2.98Å; M292-F296 VanDerWaalsContact O-N 3.1Å; D293-F296 PolarHBondContact O-N 3.09Å; F296-K298 PolarHBondContact O-N 2.89Å; F296-Y299 PolarHBondContact O-N 3.35Å; F296-A300 VanDerWaalsContact O-CB 3.23Å; F296-A300 WeakPolarHBondContact O-CB 3.29Å; F296-A300 PolarHBondContact O-N 2.97Å; F296-L312 HydrophobicContact CB-CD2 4.28Å; F296-L312 HydrophobicContact CD1-CD2 3.57Å; F296-L312 HydrophobicContact CE1-CD2 4.2Å; F296-L312 HydrophobicContact CG-CD2 4.18Å; F296-W337 HydrophobicContact CD1-CZ3 4.38Å; F296-W337 AromaticContact CE1-CZ3 3.76Å; F296-W337 HydrophobicContact CE1-CZ3 3.76Å; F296-W337 AromaticContact CE2-CH2 3.89Å; F296-W337 HydrophobicContact CE2-CH2 3.89Å; F296-W337 AromaticContact CE2-CZ3 3.92Å; F296-W337 HydrophobicContact CE2-CZ3 3.92Å; F296-W337 AromaticContact CZ-CH2 3.85Å; F296-W337 HydrophobicContact CZ-CH2 3.85Å; F296-W337 AromaticContact CZ-CZ3 3.49Å; F296-W337 HydrophobicContact CZ-CZ3 3.49Å; F296-W337 VanDerWaalsContact CZ-CZ3 3.49Å; F296-F429 HydrophobicContact CZ-CE1 4.14Å; F296-F429 AromaticContact CZ-CZ 3.81Å; F296-F429 HydrophobicContact CZ-CZ 3.81Å; F296-L468 HydrophobicContact CD2-CD1 4.06Å; F296-L468 HydrophobicContact CE2-CD1 4.16Å; F296-L468 HydrophobicContact CG-CD1 4.37Å; F296-Y480 HydrophobicContact CB-CD2 4.36Å; F296-Y480 HydrophobicContact CB-CG 4.22Å; F296-V482 HydrophobicContact CD2-CG2 4.19Å
297T88.7Confident86.4Confident6 Ų661.6 Ų61.64%0.03730%0.298CS..Hα-helixtrans-64.5-41.8179.2-65.70000111.5D293 R301 N479 Y480D293-T297 WeakPolarHBondContact O-CB 3.12Å; D293-T297 PolarHBondContact O-N 3.24Å; D293-T297 PolarHBondContact O-OG1 2.91Å; D293-T297 PolarHBondContact OD1-OG1 2.77Å; T297-R301 HydrophobicContact CG2-CG 4.48Å; T297-R301 WeakPolarHBondContact O-CB 3.43Å; T297-R301 VanDerWaalsContact O-CG 3.28Å; T297-R301 WeakPolarHBondContact O-CG 3.37Å; T297-R301 PolarHBondContact O-N 3.28Å; T297-N479 WeakPolarHBondContact OG1-CA 3.46Å; T297-Y480 PolarHBondContact OG1-N 3.39Å
298K89.2Confident86.6Confident104 Ų10465.4 Ų65.445%0.45231%0.309SS..Hα-helixtrans-59.7-52.2174.2-176.8-171.4173.5-160.80111.2A294 F296 A300 R301 E302A294-K298 WeakPolarHBondContact O-CB 3.42Å; A294-K298 PolarHBondContact O-N 3.39Å; F296-K298 PolarHBondContact O-N 2.89Å; K298-A300 VanDerWaalsContact C-N 3.34Å; K298-A300 PolarHBondContact O-N 2.77Å; K298-R301 PolarHBondContact O-N 3.3Å; K298-E302 VanDerWaalsContact CE-OE1 3.28Å; K298-E302 WeakPolarHBondContact CE-OE1 3.49Å; K298-E302 PolarHBondContact O-N 2.86Å
299Y91.3Very high86.8Confident6 Ų672 Ų722%0.02435%0.345CS..Hα-helixtrans-59.3-45.9-179.1177.9-114.2000111.9K295 F296 R301 E302 R303 W310 L312 E315 L329 F332K295-Y299 PolarHBondContact O-N 3.24Å; K295-Y299 VanDerWaalsContact O-N 3.13Å; F296-Y299 PolarHBondContact O-N 3.35Å; Y299-R301 PolarHBondContact O-N 3.33Å; Y299-E302 PolarHBondContact O-N 3.07Å; Y299-R303 HydrophobicContact CD1-CG 4.48Å; Y299-R303 HydrophobicContact CD2-CG 4.39Å; Y299-R303 HydrophobicContact CE1-CG 4.07Å; Y299-R303 HydrophobicContact CE2-CG 3.97Å; Y299-R303 WeakPolarHBondContact O-CG 3.34Å; Y299-R303 PolarHBondContact O-N 2.89Å; Y299-W310 HydrophobicContact CD1-CH2 4.1Å; Y299-W310 HydrophobicContact CD1-CZ2 4.19Å; Y299-W310 HydrophobicContact CE1-CH2 4.03Å; Y299-W310 AromaticContact CE1-CZ2 3.65Å; Y299-W310 HydrophobicContact CE1-CZ2 3.65Å; Y299-L312 HydrophobicContact CD1-CD1 3.92Å; Y299-L312 HydrophobicContact CE1-CD1 3.81Å; Y299-E315 PolarHBondContact OH-OE2 3.17Å; Y299-E315 VanDerWaalsContact OH-OE2 3.07Å; Y299-L329 HydrophobicContact CE1-CD1 4.11Å; Y299-L329 VanDerWaalsContact OH-CA 3.22Å; Y299-L329 WeakPolarHBondContact OH-CA 3.45Å; Y299-L329 WeakPolarHBondContact OH-CB 3.38Å; Y299-L329 PolarHBondContact OH-N 2.81Å; Y299-F332 HydrophobicContact CD1-CD1 4.29Å; Y299-F332 HydrophobicContact CD1-CE1 4.45Å; Y299-F332 HydrophobicContact CD1-CG 4.47Å; Y299-F332 HydrophobicContact CD2-CB 3.53Å; Y299-F332 HydrophobicContact CD2-CD1 4.1Å; Y299-F332 AromaticContact CD2-CD2 3.71Å; Y299-F332 HydrophobicContact CD2-CD2 3.71Å; Y299-F332 HydrophobicContact CD2-CE2 4.44Å; Y299-F332 AromaticContact CD2-CG 3.5Å; Y299-F332 HydrophobicContact CD2-CG 3.5Å; Y299-F332 VanDerWaalsContact CD2-CG 3.5Å; Y299-F332 HydrophobicContact CE2-CB 3.52Å; Y299-F332 HydrophobicContact CE2-CD1 4.37Å; Y299-F332 AromaticContact CE2-CG 3.92Å; Y299-F332 HydrophobicContact CE2-CG 3.92Å; Y299-F332 HydrophobicContact CG-CB 4.32Å; Y299-F332 HydrophobicContact CG-CD1 4.05Å; Y299-F332 AromaticContact CG-CD2 3.88Å; Y299-F332 HydrophobicContact CG-CD2 3.88Å; Y299-F332 HydrophobicContact CG-CE1 4.32Å; Y299-F332 HydrophobicContact CG-CE2 4.17Å; Y299-F332 AromaticContact CG-CG 3.81Å; Y299-F332 HydrophobicContact CG-CG 3.81Å; Y299-F332 HydrophobicContact CG-CZ 4.37Å
300A91Very high87.3Confident0 Ų072.2 Ų72.20%034%0.344CS..Hα-helixtrans-66-39.3-179.900000113.3F296 K298 E302 R303 L304 W310 L477 Y480F296-A300 VanDerWaalsContact O-CB 3.23Å; F296-A300 WeakPolarHBondContact O-CB 3.29Å; F296-A300 PolarHBondContact O-N 2.97Å; K298-A300 VanDerWaalsContact C-N 3.34Å; K298-A300 PolarHBondContact O-N 2.77Å; A300-E302 VanDerWaalsContact C-N 3.27Å; A300-E302 PolarHBondContact O-N 2.82Å; A300-R303 PolarHBondContact O-N 2.8Å; A300-L304 WeakPolarHBondContact O-CB 3.43Å; A300-L304 VanDerWaalsContact O-CG 3.28Å; A300-L304 WeakPolarHBondContact O-CG 3.4Å; A300-L304 PolarHBondContact O-N 3Å; A300-W310 HydrophobicContact CB-CH2 3.87Å; A300-W310 HydrophobicContact CB-CZ3 3.59Å; A300-L477 HydrophobicContact CB-CD2 3.52Å; A300-Y480 HydrophobicContact CB-CD2 4.17Å; A300-Y480 HydrophobicContact CB-CE2 3.21Å
301R89.9Confident87.7Confident123 Ų12368.8 Ų68.846%0.46433%0.33SS..Hα-helixtrans-61.5-36.6174.1-75.4-179.8-173.4157.94.8111.8T297 K298 Y299 K305 L477 Q478T297-R301 HydrophobicContact CG2-CG 4.48Å; T297-R301 WeakPolarHBondContact O-CB 3.43Å; T297-R301 VanDerWaalsContact O-CG 3.28Å; T297-R301 WeakPolarHBondContact O-CG 3.37Å; T297-R301 PolarHBondContact O-N 3.28Å; K298-R301 PolarHBondContact O-N 3.3Å; Y299-R301 PolarHBondContact O-N 3.33Å; R301-K305 WeakPolarHBondContact O-CG 3.28Å; R301-K305 PolarHBondContact O-N 3.48Å; R301-L477 HydrophobicContact CG-CD2 4.05Å; R301-L477 PolarHBondContact NE-O 3.01Å; R301-L477 PolarHBondContact NH2-O 3.44Å; R301-Q478 PolarHBondContact NH2-O 3.15Å
302E89.7Confident88.3Confident84 Ų8465.3 Ų65.339%0.39331%0.314SS..Hα-helixtrans-68.1-42.8175.4-70.3176.9-172.200111.6K298 Y299 A300 K305 H306K298-E302 VanDerWaalsContact CE-OE1 3.28Å; K298-E302 WeakPolarHBondContact CE-OE1 3.49Å; K298-E302 PolarHBondContact O-N 2.86Å; Y299-E302 PolarHBondContact O-N 3.07Å; A300-E302 VanDerWaalsContact C-N 3.27Å; A300-E302 PolarHBondContact O-N 2.82Å; E302-K305 PolarHBondContact O-N 3.33Å; E302-H306 PolarHBondContact O-CD2 2.96Å; E302-H306 VanDerWaalsContact O-CD2 3.25Å
303R91.6Very high88.7Confident31 Ų3166.2 Ų66.212%0.11732%0.32CS..Hα-helixtrans-68-42.7178.3-65.5-68.6-73.6159.6-12.5113Y299 A300 K305 H306 N307 W310 E315 E328Y299-R303 HydrophobicContact CD1-CG 4.48Å; Y299-R303 HydrophobicContact CD2-CG 4.39Å; Y299-R303 HydrophobicContact CE1-CG 4.07Å; Y299-R303 HydrophobicContact CE2-CG 3.97Å; Y299-R303 WeakPolarHBondContact O-CG 3.34Å; Y299-R303 PolarHBondContact O-N 2.89Å; A300-R303 PolarHBondContact O-N 2.8Å; R303-K305 PolarHBondContact O-N 3.32Å; R303-H306 PolarHBondContact O-N 3.24Å; R303-N307 PolarHBondContact O-N 3Å; R303-W310 HydrophobicContact CB-CD2 3.46Å; R303-W310 VanDerWaalsContact CB-CD2 3.46Å; R303-W310 HydrophobicContact CB-CE3 3.6Å; R303-W310 HydrophobicContact CB-CG 4.02Å; R303-W310 HydrophobicContact CB-CH2 3.92Å; R303-W310 HydrophobicContact CB-CZ2 3.82Å; R303-W310 HydrophobicContact CB-CZ3 3.84Å; R303-W310 HydrophobicContact CG-CD2 4.18Å; R303-W310 HydrophobicContact CG-CH2 4.04Å; R303-W310 HydrophobicContact CG-CZ2 3.68Å; R303-W310 HydrophobicContact CG-CZ3 4.47Å; R303-E315 IonicContact CZ-OE1 3.23Å; R303-E315 IonicContact NE-OE1 3.73Å; R303-E315 IonicContact NE-OE2 2.63Å; R303-E315 IonicContact NH2-OE1 3.12Å; R303-E315 PolarHBondContact NH2-OE1 3.3Å; R303-E328 IonicContact CZ-OE1 3.72Å; R303-E328 IonicContact NH1-OE1 2.86Å; R303-E328 PolarHBondContact NH1-OE1 3.48Å; R303-E328 IonicContact NH1-OE2 2.64Å
304L89.2Confident89.1Confident35 Ų3568.2 Ų68.218%0.18333%0.333CS..Hα-helixtrans-63.9-26178.8-74170.1000113.3A300 H306 N307 W310 F472 L477A300-L304 WeakPolarHBondContact O-CB 3.43Å; A300-L304 VanDerWaalsContact O-CG 3.28Å; A300-L304 WeakPolarHBondContact O-CG 3.4Å; A300-L304 PolarHBondContact O-N 3Å; L304-H306 VanDerWaalsContact C-N 3.3Å; L304-N307 WeakPolarHBondContact CA-O 3.5Å; L304-W310 HydrophobicContact CD2-CE3 4.23Å; L304-W310 HydrophobicContact CG-CE3 4.12Å; L304-F472 HydrophobicContact CD1-CE1 4.11Å; L304-F472 HydrophobicContact CD1-CZ 4.08Å; L304-L477 HydrophobicContact CD1-CB 4.02Å; L304-L477 HydrophobicContact CD1-CD2 3.89Å; L304-L477 HydrophobicContact CD1-CG 4.46Å
305K87.9Confident89.5Confident175 Ų17566 Ų6676%0.76131%0.313SS*.Hα-helixtrans-65-34.5171.5-76.2172.8-177.5-177.80112.5R301 E302 R303R301-K305 WeakPolarHBondContact O-CG 3.28Å; R301-K305 PolarHBondContact O-N 3.48Å; E302-K305 PolarHBondContact O-N 3.33Å; R303-K305 PolarHBondContact O-N 3.32Å
306H86.7Confident89.7Confident163 Ų16363.4 Ų63.476%0.75530%0.302SS*.Hα-helixtrans-90.2-36.9-178.3-68.9-67.4000112.7E302 R303 L304E302-H306 PolarHBondContact O-CD2 2.96Å; E302-H306 VanDerWaalsContact O-CD2 3.25Å; R303-H306 PolarHBondContact O-N 3.24Å; L304-H306 VanDerWaalsContact C-N 3.3Å
307N88.7Confident89.9Confident75 Ų7565 Ų6540%0.40131%0.31SS..  trans-138.9110.2179.2-179.54.1000110.1R303 L304 D309 W310R303-N307 PolarHBondContact O-N 3Å; L304-N307 WeakPolarHBondContact CA-O 3.5Å; N307-D309 PolarHBondContact O-N 2.88Å; N307-D309 PolarHBondContact OD1-N 3.03Å; N307-W310 HydrophobicContact CB-CB 3.95Å; N307-W310 VanDerWaalsContact O-CB 3.28Å; N307-W310 WeakPolarHBondContact O-CB 3.46Å; N307-W310 PolarHBondContact O-N 3.21Å
308K85.3Confident90.1Very high189 Ų18968.5 Ų68.582%0.82233%0.326SS*.THydrogen-bonded Turntrans-66.4-26.5-178.9-67.8-172.3177.7-175.70113.4W310K308-W310 VanDerWaalsContact C-N 3.32Å
309D85.7Confident90.3Very high152 Ų15264.1 Ų64.181%0.81331%0.307SS*.THydrogen-bonded Turntrans-92.78-179.1-58.2-33.4000112.3N307N307-D309 PolarHBondContact O-N 2.88Å; N307-D309 PolarHBondContact OD1-N 3.03Å
310W91.4Very high90.4Very high24 Ų2464.6 Ų64.69%0.09131%0.31CS..  trans-73.2141.4179.817491.4000111.9Y299 A300 R303 L304 N307 K308 L312 E315Y299-W310 HydrophobicContact CD1-CH2 4.1Å; Y299-W310 HydrophobicContact CD1-CZ2 4.19Å; Y299-W310 HydrophobicContact CE1-CH2 4.03Å; Y299-W310 AromaticContact CE1-CZ2 3.65Å; Y299-W310 HydrophobicContact CE1-CZ2 3.65Å; A300-W310 HydrophobicContact CB-CH2 3.87Å; A300-W310 HydrophobicContact CB-CZ3 3.59Å; R303-W310 HydrophobicContact CB-CD2 3.46Å; R303-W310 VanDerWaalsContact CB-CD2 3.46Å; R303-W310 HydrophobicContact CB-CE3 3.6Å; R303-W310 HydrophobicContact CB-CG 4.02Å; R303-W310 HydrophobicContact CB-CH2 3.92Å; R303-W310 HydrophobicContact CB-CZ2 3.82Å; R303-W310 HydrophobicContact CB-CZ3 3.84Å; R303-W310 HydrophobicContact CG-CD2 4.18Å; R303-W310 HydrophobicContact CG-CH2 4.04Å; R303-W310 HydrophobicContact CG-CZ2 3.68Å; R303-W310 HydrophobicContact CG-CZ3 4.47Å; L304-W310 HydrophobicContact CD2-CE3 4.23Å; L304-W310 HydrophobicContact CG-CE3 4.12Å; N307-W310 HydrophobicContact CB-CB 3.95Å; N307-W310 VanDerWaalsContact O-CB 3.28Å; N307-W310 WeakPolarHBondContact O-CB 3.46Å; N307-W310 PolarHBondContact O-N 3.21Å; K308-W310 VanDerWaalsContact C-N 3.32Å; W310-L312 HydrophobicContact CH2-CB 3.49Å; W310-L312 VanDerWaalsContact CH2-CB 3.49Å; W310-L312 HydrophobicContact CH2-CD1 3.94Å; W310-L312 HydrophobicContact CH2-CG 4.24Å; W310-L312 HydrophobicContact CZ2-CB 3.95Å; W310-L312 HydrophobicContact CZ2-CD1 3.94Å; W310-L312 HydrophobicContact CZ3-CB 4.09Å; W310-E315 WeakPolarHBondContact CZ2-OE2 3.48Å; W310-E315 PolarHBondContact NE1-OE1 3.27Å; W310-E315 PolarHBondContact NE1-OE2 3.1Å
311S89.5Confident90.4Very high45 Ų4568.5 Ų68.532%0.31533%0.331SS..  trans-132.6125.4175.9173.10000110.6C313 V314 E315S311-C313 PolarHBondContact O-N 3.14Å; S311-C313 PolarHBondContact OG-N 3.3Å; S311-V314 PolarHBondContact O-N 2.85Å; S311-E315 PolarHBondContact O-N 3.28Å; S311-E315 VanDerWaalsContact O-N 3.16Å
312L91.1Very high90.5Very high0 Ų070.2 Ų70.20%034%0.342CS..Hα-helixtrans-57.5-38.6174.8-177.458.4000111.9F296 Y299 W310 V314 E315 L316 L468 Y480F296-L312 HydrophobicContact CB-CD2 4.28Å; F296-L312 HydrophobicContact CD1-CD2 3.57Å; F296-L312 HydrophobicContact CE1-CD2 4.2Å; F296-L312 HydrophobicContact CG-CD2 4.18Å; Y299-L312 HydrophobicContact CD1-CD1 3.92Å; Y299-L312 HydrophobicContact CE1-CD1 3.81Å; W310-L312 HydrophobicContact CH2-CB 3.49Å; W310-L312 VanDerWaalsContact CH2-CB 3.49Å; W310-L312 HydrophobicContact CH2-CD1 3.94Å; W310-L312 HydrophobicContact CH2-CG 4.24Å; W310-L312 HydrophobicContact CZ2-CB 3.95Å; W310-L312 HydrophobicContact CZ2-CD1 3.94Å; W310-L312 HydrophobicContact CZ3-CB 4.09Å; L312-V314 PolarHBondContact O-N 2.87Å; L312-E315 PolarHBondContact O-N 2.83Å; L312-L316 HydrophobicContact CD1-CD1 3.98Å; L312-L316 HydrophobicContact CD1-CD2 4.5Å; L312-L316 HydrophobicContact CD1-CG 3.93Å; L312-L316 HydrophobicContact CG-CD1 3.9Å; L312-L316 HydrophobicContact CG-CG 4.25Å; L312-L316 WeakPolarHBondContact O-CB 3.4Å; L312-L316 WeakPolarHBondContact O-CG 3.22Å; L312-L316 PolarHBondContact O-N 3.21Å; L312-L468 HydrophobicContact CD2-CD2 3.76Å; L312-L468 HydrophobicContact CD2-CG 4.34Å; L312-L468 HydrophobicContact CG-CD2 4.05Å; L312-Y480 HydrophobicContact CB-CE1 3.95Å; L312-Y480 WeakPolarHBondContact CB-OH 3.46Å; L312-Y480 HydrophobicContact CD2-CD1 4.18Å; L312-Y480 HydrophobicContact CD2-CE1 3.7Å; L312-Y480 HydrophobicContact CG-CE1 4.42Å
313C91.3Very high90.3Very high22 Ų2268.6 Ų68.615%0.14935%0.347CS..Hα-helixtrans-58-49.2178.3-1790000110.8S311 E315 L316 L317 I464S311-C313 PolarHBondContact O-N 3.14Å; S311-C313 PolarHBondContact OG-N 3.3Å; C313-E315 PolarHBondContact O-N 2.94Å; C313-L316 PolarHBondContact O-N 3.21Å; C313-L317 VanDerWaalsContact O-CB 3.3Å; C313-L317 WeakPolarHBondContact O-CB 3.41Å; C313-L317 WeakPolarHBondContact O-CG 3.35Å; C313-L317 PolarHBondContact O-N 2.91Å; C313-I464 HydrophobicContact CB-CG2 4.4Å; C313-I464 PolarHBondContact SG-O 2.82Å
314V91.7Very high90.2Very high76 Ų7672.6 Ų72.646%0.46137%0.367SS..Hα-helixtrans-63.6-42.5179.7177.10000111.3S311 L312 L317 Q318S311-V314 PolarHBondContact O-N 2.85Å; L312-V314 PolarHBondContact O-N 2.87Å; V314-L317 PolarHBondContact O-N 2.81Å; V314-Q318 HydrophobicContact CG1-CG 4.49Å; V314-Q318 VanDerWaalsContact O-CG 3.32Å; V314-Q318 WeakPolarHBondContact O-CG 3.28Å; V314-Q318 PolarHBondContact O-N 2.78Å
315E92.7Very high90.2Very high15 Ų1571.5 Ų71.57%0.0736%0.362CS..Hα-helixtrans-67.1-43.1-178.9-166.2168-123.400112.2Y299 R303 W310 S311 L312 C313 Q318 F319 C326 L329Y299-E315 PolarHBondContact OH-OE2 3.17Å; Y299-E315 VanDerWaalsContact OH-OE2 3.07Å; R303-E315 IonicContact CZ-OE1 3.23Å; R303-E315 IonicContact NE-OE1 3.73Å; R303-E315 IonicContact NE-OE2 2.63Å; R303-E315 IonicContact NH2-OE1 3.12Å; R303-E315 PolarHBondContact NH2-OE1 3.3Å; W310-E315 WeakPolarHBondContact CZ2-OE2 3.48Å; W310-E315 PolarHBondContact NE1-OE1 3.27Å; W310-E315 PolarHBondContact NE1-OE2 3.1Å; S311-E315 PolarHBondContact O-N 3.28Å; S311-E315 VanDerWaalsContact O-N 3.16Å; L312-E315 PolarHBondContact O-N 2.83Å; C313-E315 PolarHBondContact O-N 2.94Å; E315-Q318 PolarHBondContact O-N 3.41Å; E315-F319 PolarHBondContact O-N 3.11Å; E315-C326 PolarHBondContact OE1-SG 3.26Å; E315-L329 HydrophobicContact CG-CD2 4.27Å
316L93.4Very high90.3Very high4 Ų463.8 Ų63.82%0.02133%0.33CS..Hα-helixtrans-68.4-35.2174.6-67.3178.4000112.3L312 C313 F319 I320 L329 W432 I464 L468L312-L316 HydrophobicContact CD1-CD1 3.98Å; L312-L316 HydrophobicContact CD1-CD2 4.5Å; L312-L316 HydrophobicContact CD1-CG 3.93Å; L312-L316 HydrophobicContact CG-CD1 3.9Å; L312-L316 HydrophobicContact CG-CG 4.25Å; L312-L316 WeakPolarHBondContact O-CB 3.4Å; L312-L316 WeakPolarHBondContact O-CG 3.22Å; L312-L316 PolarHBondContact O-N 3.21Å; C313-L316 PolarHBondContact O-N 3.21Å; L316-F319 PolarHBondContact O-N 2.89Å; L316-I320 PolarHBondContact O-N 3.44Å; L316-L329 HydrophobicContact CD2-CD1 4.28Å; L316-L329 HydrophobicContact CD2-CD2 4.39Å; L316-W432 HydrophobicContact CB-CH2 4.44Å; L316-W432 HydrophobicContact CD2-CH2 4.16Å; L316-I464 HydrophobicContact CB-CD1 3.95Å; L316-I464 HydrophobicContact CB-CG1 4.35Å; L316-I464 HydrophobicContact CB-CG2 3.94Å; L316-I464 HydrophobicContact CD1-CG1 4.46Å; L316-L468 HydrophobicContact CD1-CD2 3.62Å
317L93Very high90.5Very high35 Ų3560.9 Ų60.918%0.18333%0.325CS..Hα-helixtrans-65.3-42.9173.5-76.1174.3000111.7C313 V314 F319 I320 L321 I461 I464C313-L317 VanDerWaalsContact O-CB 3.3Å; C313-L317 WeakPolarHBondContact O-CB 3.41Å; C313-L317 WeakPolarHBondContact O-CG 3.35Å; C313-L317 PolarHBondContact O-N 2.91Å; V314-L317 PolarHBondContact O-N 2.81Å; L317-F319 PolarHBondContact O-N 3.19Å; L317-I320 HydrophobicContact CD2-CG2 4.44Å; L317-I320 WeakPolarHBondContact O-CG2 3.15Å; L317-I320 PolarHBondContact O-N 2.83Å; L317-L321 WeakPolarHBondContact O-CB 3.48Å; L317-L321 WeakPolarHBondContact O-CG 3.38Å; L317-L321 PolarHBondContact O-N 3Å; L317-I461 HydrophobicContact CD2-CG1 4.38Å; L317-I461 HydrophobicContact CD2-CG2 4.03Å; L317-I464 HydrophobicContact CD2-CB 4.5Å; L317-I464 HydrophobicContact CD2-CG2 4.21Å; L317-I464 HydrophobicContact CG-CG2 3.91Å
318Q92.5Very high90.6Very high81 Ų8161.4 Ų61.438%0.37933%0.326SS..Hα-helixtrans-61.1-37.6173.5-74.6175.60.500111.4V314 E315 F322V314-Q318 HydrophobicContact CG1-CG 4.49Å; V314-Q318 VanDerWaalsContact O-CG 3.32Å; V314-Q318 WeakPolarHBondContact O-CG 3.28Å; V314-Q318 PolarHBondContact O-N 2.78Å; E315-Q318 PolarHBondContact O-N 3.41Å; Q318-F322 HydrophobicContact CB-CD2 4.31Å; Q318-F322 HydrophobicContact CG-CD2 4.38Å; Q318-F322 WeakPolarHBondContact O-CB 3.34Å; Q318-F322 PolarHBondContact O-N 3.06Å
319F93.7Very high90.9Very high11 Ų1152.5 Ų52.55%0.04829%0.287CS..Hα-helixtrans-66.9-46.8178.3-173.1-151.3000112.4E315 L316 L317 G323 H324 C325 L329 L333 W432 A436 Q440E315-F319 PolarHBondContact O-N 3.11Å; L316-F319 PolarHBondContact O-N 2.89Å; L317-F319 PolarHBondContact O-N 3.19Å; F319-G323 WeakPolarHBondContact O-CA 3.44Å; F319-G323 PolarHBondContact O-N 3.12Å; F319-H324 WeakPolarHBondContact CA-O 3.29Å; F319-C325 HydrophobicContact CD2-CB 3.82Å; F319-C325 HydrophobicContact CE2-CB 3.63Å; F319-C325 HydrophobicContact CZ-CB 4.15Å; F319-L329 HydrophobicContact CB-CD2 4.27Å; F319-L329 HydrophobicContact CD1-CD2 3.98Å; F319-L329 HydrophobicContact CG-CD2 4.25Å; F319-L333 HydrophobicContact CD1-CD1 4.35Å; F319-L333 HydrophobicContact CE1-CD1 3.69Å; F319-L333 HydrophobicContact CZ-CD1 4.45Å; F319-W432 HydrophobicContact CB-CZ2 4.39Å; F319-W432 AromaticContact CD1-CH2 3.9Å; F319-W432 HydrophobicContact CD1-CH2 3.9Å; F319-W432 AromaticContact CD1-CZ2 3.6Å; F319-W432 HydrophobicContact CD1-CZ2 3.6Å; F319-W432 HydrophobicContact CE1-CZ2 4.16Å; F319-W432 HydrophobicContact CG-CZ2 4.13Å; F319-A436 HydrophobicContact CE1-CB 3.61Å; F319-A436 HydrophobicContact CZ-CB 3.63Å; F319-Q440 HydrophobicContact CZ-CG 4.01Å
320I92.4Very high91.2Very high16 Ų1651.1 Ų51.18%0.08227%0.27CS..Hα-helixtrans-74.2-29.8179-165.7165.8000113.5L316 L317 W432 R457 V460 I461L316-I320 PolarHBondContact O-N 3.44Å; L317-I320 HydrophobicContact CD2-CG2 4.44Å; L317-I320 WeakPolarHBondContact O-CG2 3.15Å; L317-I320 PolarHBondContact O-N 2.83Å; I320-W432 HydrophobicContact CB-CH2 4.37Å; I320-W432 HydrophobicContact CB-CZ2 3.66Å; I320-W432 HydrophobicContact CD1-CD2 4.13Å; I320-W432 HydrophobicContact CD1-CG 4.28Å; I320-W432 HydrophobicContact CD1-CZ2 4.44Å; I320-W432 HydrophobicContact CG1-CZ2 4.24Å; I320-R457 HydrophobicContact CD1-CG 3.99Å; I320-R457 HydrophobicContact CG1-CG 4.17Å; I320-R457 PolarHBondContact O-NH2 2.95Å; I320-V460 HydrophobicContact CD1-CB 3.66Å; I320-V460 HydrophobicContact CD1-CG1 3.36Å; I320-I461 HydrophobicContact CD1-CG1 4.34Å; I320-I461 HydrophobicContact CG2-CG1 4.17Å
321L91.5Very high91.2Very high83 Ų8355.5 Ų55.544%0.43529%0.29SS..Hα-helixtrans-82.6-44.6-178.2-67.9175000112.5L317 R457 I461L317-L321 WeakPolarHBondContact O-CB 3.48Å; L317-L321 WeakPolarHBondContact O-CG 3.38Å; L317-L321 PolarHBondContact O-N 3Å; L321-R457 PolarHBondContact O-NH2 2.93Å; L321-I461 HydrophobicContact CD2-CD1 4.07Å
322F91.1Very high91.3Very high159 Ų15953.7 Ų53.770%0.69728%0.277SS*.Hα-helixtrans-113.6-8.2-171.6-52.7-65.2000114.2Q318 H324Q318-F322 HydrophobicContact CB-CD2 4.31Å; Q318-F322 HydrophobicContact CG-CD2 4.38Å; Q318-F322 WeakPolarHBondContact O-CB 3.34Å; Q318-F322 PolarHBondContact O-N 3.06Å; F322-H324 HydrophobicContact CB-CB 4.39Å; F322-H324 PolarHBondContact O-N 2.78Å
323G86.3Confident91.2Very high49 Ų4953.8 Ų53.851%0.50528%0.277SS..  trans71.48.5-171.900000113.5F319 C325F319-G323 WeakPolarHBondContact O-CA 3.44Å; F319-G323 PolarHBondContact O-N 3.12Å; G323-C325 PolarHBondContact O-N 2.86Å
324H89Confident91.1Very high115 Ų11555 Ų5553%0.53228%0.284SS..  trans-78.6110.5-179.4-17570.3000110.3F319 F322F319-H324 WeakPolarHBondContact CA-O 3.29Å; F322-H324 HydrophobicContact CB-CB 4.39Å; F322-H324 PolarHBondContact O-N 2.78Å
325C89.2Confident90.9Very high12 Ų1257.3 Ų57.38%0.08129%0.29CS..  trans-110.7113.3173.9-172.10000108.9F319 G323 R330 Q440F319-C325 HydrophobicContact CD2-CB 3.82Å; F319-C325 HydrophobicContact CE2-CB 3.63Å; F319-C325 HydrophobicContact CZ-CB 4.15Å; G323-C325 PolarHBondContact O-N 2.86Å; C325-R330 PolarHBondContact SG-N 3.25Å; C325-Q440 HydrophobicContact CB-CG 4.37Å
326C90.2Very high90.6Very high14 Ų1459.1 Ų59.110%0.09530%0.299CS..  trans-66.2157.217770.10000110.9E315 E328 L329 R330E315-C326 PolarHBondContact OE1-SG 3.26Å; C326-E328 PolarHBondContact O-N 2.68Å; C326-L329 PolarHBondContact O-N 2.92Å; C326-L329 WeakPolarHBondContact SG-CB 3.04Å; C326-L329 PolarHBondContact SG-N 3.16Å; C326-R330 PolarHBondContact O-N 3.12Å
327P90.2Very high90.4Very high101 Ų10158.9 Ų58.966%0.65630%0.298SS*.Hα-helixtrans-56.1-37.4-178.2-25.634.9000113.7R330 K331P327-R330 PolarHBondContact O-N 3.13Å; P327-K331 WeakPolarHBondContact O-CB 3.35Å; P327-K331 PolarHBondContact O-N 2.8Å
328E91.7Very high90.1Very high87 Ų8759.9 Ų59.941%0.40731%0.306SS..Hα-helixtrans-71.2-41.5-179.9-59.893.6139.100111.9R303 C326 K331 F332R303-E328 IonicContact CZ-OE1 3.72Å; R303-E328 IonicContact NH1-OE1 2.86Å; R303-E328 PolarHBondContact NH1-OE1 3.48Å; R303-E328 IonicContact NH1-OE2 2.64Å; C326-E328 PolarHBondContact O-N 2.68Å; E328-K331 PolarHBondContact O-N 3.3Å; E328-F332 WeakPolarHBondContact O-CB 3.29Å; E328-F332 PolarHBondContact O-N 2.67Å
329L91.7Very high89.9Confident1 Ų156.9 Ų56.91%0.00530%0.295CS..Hα-helixtrans-65.4-41.4173.2-177.764.9000110.5Y299 E315 L316 F319 C326 K331 F332 L333Y299-L329 HydrophobicContact CE1-CD1 4.11Å; Y299-L329 VanDerWaalsContact OH-CA 3.22Å; Y299-L329 WeakPolarHBondContact OH-CA 3.45Å; Y299-L329 WeakPolarHBondContact OH-CB 3.38Å; Y299-L329 PolarHBondContact OH-N 2.81Å; E315-L329 HydrophobicContact CG-CD2 4.27Å; L316-L329 HydrophobicContact CD2-CD1 4.28Å; L316-L329 HydrophobicContact CD2-CD2 4.39Å; F319-L329 HydrophobicContact CB-CD2 4.27Å; F319-L329 HydrophobicContact CD1-CD2 3.98Å; F319-L329 HydrophobicContact CG-CD2 4.25Å; C326-L329 PolarHBondContact O-N 2.92Å; C326-L329 WeakPolarHBondContact SG-CB 3.04Å; C326-L329 PolarHBondContact SG-N 3.16Å; L329-K331 VanDerWaalsContact C-N 3.33Å; L329-K331 PolarHBondContact O-N 3.41Å; L329-F332 HydrophobicContact CD1-CD1 4.21Å; L329-F332 PolarHBondContact O-N 3.26Å; L329-L333 HydrophobicContact CD1-CD1 4.01Å; L329-L333 HydrophobicContact CD1-CD2 4.44Å; L329-L333 HydrophobicContact CD1-CG 3.92Å; L329-L333 HydrophobicContact CD2-CD1 4.27Å; L329-L333 HydrophobicContact CG-CD1 3.78Å; L329-L333 HydrophobicContact CG-CG 4.08Å; L329-L333 VanDerWaalsContact O-CB 3.26Å; L329-L333 WeakPolarHBondContact O-CB 3.42Å; L329-L333 VanDerWaalsContact O-CG 3.24Å; L329-L333 WeakPolarHBondContact O-CG 3.2Å; L329-L333 PolarHBondContact O-N 3.46Å
330R90.6Very high89.7Confident123 Ų12359.5 Ų59.546%0.46432%0.319SS..Hα-helixtrans-58.4-47174.7-179.9-178.6-64.6172.23110.9C325 C326 P327 L333 V334 Q440C325-R330 PolarHBondContact SG-N 3.25Å; C326-R330 PolarHBondContact O-N 3.12Å; P327-R330 PolarHBondContact O-N 3.13Å; R330-L333 PolarHBondContact O-N 2.83Å; R330-V334 HydrophobicContact CG-CG2 4.21Å; R330-V334 WeakPolarHBondContact O-CB 3.35Å; R330-V334 WeakPolarHBondContact O-CG2 3.46Å; R330-V334 PolarHBondContact O-N 3.41Å; R330-Q440 HydrophobicContact CG-CB 4.38Å; R330-Q440 VanDerWaalsContact NH2-OE1 3.16Å
331K91.4Very high89.6Confident116 Ų11659.3 Ų59.350%0.50432%0.319SS..Hα-helixtrans-58.8-49177.1-169.9-174.9176.7-175.90111P327 E328 L329 L333 V334 E335 D336P327-K331 WeakPolarHBondContact O-CB 3.35Å; P327-K331 PolarHBondContact O-N 2.8Å; E328-K331 PolarHBondContact O-N 3.3Å; L329-K331 VanDerWaalsContact C-N 3.33Å; L329-K331 PolarHBondContact O-N 3.41Å; K331-L333 PolarHBondContact O-N 2.88Å; K331-V334 PolarHBondContact O-N 3.09Å; K331-E335 WeakPolarHBondContact CE-OE2 2.93Å; K331-E335 HydrophobicContact CG-CB 4.45Å; K331-E335 HydrophobicContact CG-CG 4.28Å; K331-E335 VanDerWaalsContact CG-OE2 3.27Å; K331-E335 WeakPolarHBondContact CG-OE2 3.39Å; K331-E335 WeakPolarHBondContact O-CA 3.44Å; K331-E335 VanDerWaalsContact O-CB 3.25Å; K331-E335 WeakPolarHBondContact O-CB 3.45Å; K331-E335 PolarHBondContact O-N 3.16Å; K331-D336 PolarHBondContact O-N 3.47Å
332F92.1Very high89.5Confident8 Ų855.4 Ų55.44%0.03530%0.298CS..Iπ-helixtrans-59.3-47.2177.5170.8-109.3000112.6K295 Y299 E328 L329 D336 W337K295-F332 HydrophobicContact CB-CE2 4.48Å; K295-F332 HydrophobicContact CB-CZ 4.32Å; Y299-F332 HydrophobicContact CD1-CD1 4.29Å; Y299-F332 HydrophobicContact CD1-CE1 4.45Å; Y299-F332 HydrophobicContact CD1-CG 4.47Å; Y299-F332 HydrophobicContact CD2-CB 3.53Å; Y299-F332 HydrophobicContact CD2-CD1 4.1Å; Y299-F332 AromaticContact CD2-CD2 3.71Å; Y299-F332 HydrophobicContact CD2-CD2 3.71Å; Y299-F332 HydrophobicContact CD2-CE2 4.44Å; Y299-F332 AromaticContact CD2-CG 3.5Å; Y299-F332 HydrophobicContact CD2-CG 3.5Å; Y299-F332 VanDerWaalsContact CD2-CG 3.5Å; Y299-F332 HydrophobicContact CE2-CB 3.52Å; Y299-F332 HydrophobicContact CE2-CD1 4.37Å; Y299-F332 AromaticContact CE2-CG 3.92Å; Y299-F332 HydrophobicContact CE2-CG 3.92Å; Y299-F332 HydrophobicContact CG-CB 4.32Å; Y299-F332 HydrophobicContact CG-CD1 4.05Å; Y299-F332 AromaticContact CG-CD2 3.88Å; Y299-F332 HydrophobicContact CG-CD2 3.88Å; Y299-F332 HydrophobicContact CG-CE1 4.32Å; Y299-F332 HydrophobicContact CG-CE2 4.17Å; Y299-F332 AromaticContact CG-CG 3.81Å; Y299-F332 HydrophobicContact CG-CG 3.81Å; Y299-F332 HydrophobicContact CG-CZ 4.37Å; E328-F332 WeakPolarHBondContact O-CB 3.29Å; E328-F332 PolarHBondContact O-N 2.67Å; L329-F332 HydrophobicContact CD1-CD1 4.21Å; L329-F332 PolarHBondContact O-N 3.26Å; F332-D336 HydrophobicContact CD2-CB 3.83Å; F332-D336 HydrophobicContact CE2-CB 4.41Å; F332-D336 WeakPolarHBondContact O-CB 3.25Å; F332-D336 PolarHBondContact O-N 2.96Å; F332-W337 AromaticContact CE1-CE3 3.92Å; F332-W337 HydrophobicContact CE1-CE3 3.92Å; F332-W337 HydrophobicContact CE2-CB 4.44Å; F332-W337 HydrophobicContact CZ-CB 4.34Å; F332-W337 AromaticContact CZ-CE3 3.68Å; F332-W337 HydrophobicContact CZ-CE3 3.68Å; F332-W337 HydrophobicContact CZ-CZ3 4.36Å; F332-W337 PolarHBondContact O-N 3.36Å
333L90Very high89.5Confident1 Ų154 Ų541%0.00529%0.292CS..Iπ-helixtrans-70.1-33.4-177.3-73.4-174.1000113.5F319 L329 R330 K331 W337 L433 I437F319-L333 HydrophobicContact CD1-CD1 4.35Å; F319-L333 HydrophobicContact CE1-CD1 3.69Å; F319-L333 HydrophobicContact CZ-CD1 4.45Å; L329-L333 HydrophobicContact CD1-CD1 4.01Å; L329-L333 HydrophobicContact CD1-CD2 4.44Å; L329-L333 HydrophobicContact CD1-CG 3.92Å; L329-L333 HydrophobicContact CD2-CD1 4.27Å; L329-L333 HydrophobicContact CG-CD1 3.78Å; L329-L333 HydrophobicContact CG-CG 4.08Å; L329-L333 VanDerWaalsContact O-CB 3.26Å; L329-L333 WeakPolarHBondContact O-CB 3.42Å; L329-L333 VanDerWaalsContact O-CG 3.24Å; L329-L333 WeakPolarHBondContact O-CG 3.2Å; L329-L333 PolarHBondContact O-N 3.46Å; R330-L333 PolarHBondContact O-N 2.83Å; K331-L333 PolarHBondContact O-N 2.88Å; L333-W337 CarbonylContact O-C 3.59Å; L333-L433 HydrophobicContact CD1-CD1 4.27Å; L333-L433 HydrophobicContact CD2-CD1 3.7Å; L333-L433 HydrophobicContact CD2-CG 4.35Å; L333-I437 HydrophobicContact CB-CG1 3.96Å; L333-I437 HydrophobicContact CD2-CD1 4.44Å; L333-I437 HydrophobicContact CD2-CG1 4.23Å; L333-I437 HydrophobicContact CG-CG1 4.49Å; L333-I437 WeakPolarHBondContact O-CG2 3.21Å
334V88.1Confident89.7Confident49 Ų4960 Ų6030%0.29730%0.299SS..Iπ-helixtrans-93.7-41.7-176.81780000112.2R330 K331 Q440R330-V334 HydrophobicContact CG-CG2 4.21Å; R330-V334 WeakPolarHBondContact O-CB 3.35Å; R330-V334 WeakPolarHBondContact O-CG2 3.46Å; R330-V334 PolarHBondContact O-N 3.41Å; K331-V334 PolarHBondContact O-N 3.09Å; V334-Q440 HydrophobicContact CG2-CB 4.06Å
335E87.7Confident89.7Confident124 Ų12454.5 Ų54.558%0.57927%0.274SS*.Iπ-helixtrans-97.3-48.7-173-57.2179.1-173.300112.5K331K331-E335 WeakPolarHBondContact CE-OE2 2.93Å; K331-E335 HydrophobicContact CG-CB 4.45Å; K331-E335 HydrophobicContact CG-CG 4.28Å; K331-E335 VanDerWaalsContact CG-OE2 3.27Å; K331-E335 WeakPolarHBondContact CG-OE2 3.39Å; K331-E335 WeakPolarHBondContact O-CA 3.44Å; K331-E335 VanDerWaalsContact O-CB 3.25Å; K331-E335 WeakPolarHBondContact O-CB 3.45Å; K331-E335 PolarHBondContact O-N 3.16Å
336D86.7Confident89.7Confident52 Ų5254.1 Ų54.128%0.27827%0.272SS..Iπ-helixtrans-85.1-36.5-172.7-72-46.3000113.8K295 K331 F332K295-D336 PolarHBondContact NZ-O 2.8Å; K331-D336 PolarHBondContact O-N 3.47Å; F332-D336 HydrophobicContact CD2-CB 3.83Å; F332-D336 HydrophobicContact CE2-CB 4.41Å; F332-D336 WeakPolarHBondContact O-CB 3.25Å; F332-D336 PolarHBondContact O-N 2.96Å
337W88.6Confident89.7Confident0 Ų057.6 Ų57.60%029%0.293CS..SBendtrans-125.359.2179.3-159.110.9000111.5K295 F296 F332 L333 L342 T345 L433K295-W337 HydrophobicContact CB-CD2 4.39Å; K295-W337 HydrophobicContact CB-CE3 4.31Å; K295-W337 HydrophobicContact CB-CZ3 4.49Å; K295-W337 HydrophobicContact CD-CG 4.46Å; K295-W337 HydrophobicContact CG-CD2 4.39Å; F296-W337 HydrophobicContact CD1-CZ3 4.38Å; F296-W337 AromaticContact CE1-CZ3 3.76Å; F296-W337 HydrophobicContact CE1-CZ3 3.76Å; F296-W337 AromaticContact CE2-CH2 3.89Å; F296-W337 HydrophobicContact CE2-CH2 3.89Å; F296-W337 AromaticContact CE2-CZ3 3.92Å; F296-W337 HydrophobicContact CE2-CZ3 3.92Å; F296-W337 AromaticContact CZ-CH2 3.85Å; F296-W337 HydrophobicContact CZ-CH2 3.85Å; F296-W337 AromaticContact CZ-CZ3 3.49Å; F296-W337 HydrophobicContact CZ-CZ3 3.49Å; F296-W337 VanDerWaalsContact CZ-CZ3 3.49Å; F332-W337 AromaticContact CE1-CE3 3.92Å; F332-W337 HydrophobicContact CE1-CE3 3.92Å; F332-W337 HydrophobicContact CE2-CB 4.44Å; F332-W337 HydrophobicContact CZ-CB 4.34Å; F332-W337 AromaticContact CZ-CE3 3.68Å; F332-W337 HydrophobicContact CZ-CE3 3.68Å; F332-W337 HydrophobicContact CZ-CZ3 4.36Å; F332-W337 PolarHBondContact O-N 3.36Å; L333-W337 CarbonylContact O-C 3.59Å; W337-L342 HydrophobicContact CD2-CD1 4Å; W337-L342 VanDerWaalsContact CE2-CD1 3.45Å; W337-L342 HydrophobicContact CE3-CD1 4.4Å; W337-L342 HydrophobicContact CH2-CD1 3.89Å; W337-L342 HydrophobicContact CZ2-CD1 3.4Å; W337-L342 VanDerWaalsContact CZ2-CD1 3.4Å; W337-L342 HydrophobicContact CZ3-CD1 4.36Å; W337-T345 HydrophobicContact CZ2-CG2 4.07Å; W337-L433 HydrophobicContact CZ3-CD2 4.2Å
338T88.4Confident89.7Confident56 Ų5655.3 Ų55.334%0.34428%0.283SS..  trans-42.5152.1179.773.50000113.8A340 S341 L342T338-A340 PolarHBondContact O-N 2.83Å; T338-A340 VanDerWaalsContact O-N 3.08Å; T338-S341 PolarHBondContact N-OG 3.18Å; T338-S341 PolarHBondContact O-N 3.3Å; T338-S341 PolarHBondContact O-OG 3.04Å; T338-S341 PolarHBondContact OG1-N 2.85Å; T338-S341 PolarHBondContact OG1-OG 2.84Å; T338-L342 PolarHBondContact O-N 3.35Å
339A88.3Confident89.5Confident18 Ų1851.3 Ų51.315%0.14927%0.265CS..Hα-helixtrans-53.2-34.7177.200000113.4K343 Y434 I437 L438A339-K343 WeakPolarHBondContact O-CB 3.26Å; A339-K343 PolarHBondContact O-N 2.87Å; A339-Y434 HydrophobicContact CB-CD2 4.27Å; A339-Y434 HydrophobicContact CB-CE2 3.91Å; A339-Y434 WeakPolarHBondContact O-CE2 3.35Å; A339-I437 HydrophobicContact CB-CG2 3.86Å; A339-L438 HydrophobicContact CB-CD2 4.12Å
340A88.8Confident89.5Confident66 Ų6653.1 Ų53.155%0.54527%0.274SS..Hα-helixtrans-71.8-41.5177.600000112.5T338 R344T338-A340 PolarHBondContact O-N 2.83Å; T338-A340 VanDerWaalsContact O-N 3.08Å; A340-R344 WeakPolarHBondContact O-CG 3.42Å; A340-R344 PolarHBondContact O-N 2.96Å
341S89.8Confident89.4Confident11 Ų1154.6 Ų54.68%0.07728%0.284CS..Hα-helixtrans-64-48.3171.542.40000111.5T338 K343 R344 T345T338-S341 PolarHBondContact N-OG 3.18Å; T338-S341 PolarHBondContact O-N 3.3Å; T338-S341 PolarHBondContact O-OG 3.04Å; T338-S341 PolarHBondContact OG1-N 2.85Å; T338-S341 PolarHBondContact OG1-OG 2.84Å; S341-K343 VanDerWaalsContact C-N 3.29Å; S341-K343 PolarHBondContact O-N 2.82Å; S341-R344 WeakPolarHBondContact O-CA 3.41Å; S341-R344 WeakPolarHBondContact O-CB 3.4Å; S341-R344 PolarHBondContact O-N 2.85Å; S341-T345 PolarHBondContact O-N 2.88Å; S341-T345 PolarHBondContact O-OG1 2.74Å
342L90.5Very high89.2Confident2 Ų249.8 Ų49.81%0.0127%0.266CS..Hα-helixtrans-58.3-42.2179.9-17871.3000111.8W337 T338 R344 T345 G346 F430 L433 I437W337-L342 HydrophobicContact CD2-CD1 4Å; W337-L342 VanDerWaalsContact CE2-CD1 3.45Å; W337-L342 HydrophobicContact CE3-CD1 4.4Å; W337-L342 HydrophobicContact CH2-CD1 3.89Å; W337-L342 HydrophobicContact CZ2-CD1 3.4Å; W337-L342 VanDerWaalsContact CZ2-CD1 3.4Å; W337-L342 HydrophobicContact CZ3-CD1 4.36Å; T338-L342 PolarHBondContact O-N 3.35Å; L342-R344 VanDerWaalsContact C-N 3.33Å; L342-R344 PolarHBondContact O-N 2.76Å; L342-T345 PolarHBondContact O-N 2.88Å; L342-G346 PolarHBondContact O-N 2.93Å; L342-F430 HydrophobicContact CD1-CD1 3.76Å; L342-F430 HydrophobicContact CD1-CE1 3.83Å; L342-F430 HydrophobicContact CG-CD1 4.25Å; L342-L433 HydrophobicContact CD1-CD2 3.82Å; L342-L433 HydrophobicContact CD2-CB 3.88Å; L342-L433 HydrophobicContact CD2-CD2 3.92Å; L342-L433 HydrophobicContact CD2-CG 3.75Å; L342-I437 HydrophobicContact CB-CD1 4.18Å; L342-I437 HydrophobicContact CD2-CD1 3.46Å; L342-I437 VanDerWaalsContact CD2-CD1 3.46Å; L342-I437 HydrophobicContact CG-CD1 4.38Å
343K90.3Very high89.1Confident129 Ų12949.6 Ų49.656%0.56127%0.265SS*.Hα-helixtrans-60.4-43.3176.2-173.2176-179.71790111.5A339 S341 T347 Y434A339-K343 WeakPolarHBondContact O-CB 3.26Å; A339-K343 PolarHBondContact O-N 2.87Å; S341-K343 VanDerWaalsContact C-N 3.29Å; S341-K343 PolarHBondContact O-N 2.82Å; K343-T347 VanDerWaalsContact O-CG2 3.31Å; K343-T347 WeakPolarHBondContact O-CG2 3.32Å; K343-T347 PolarHBondContact O-N 2.83Å; K343-T347 PolarHBondContact O-OG1 3.4Å; K343-T347 VanDerWaalsContact O-OG1 3.08Å; K343-Y434 HydrophobicContact CB-CD2 4.4Å; K343-Y434 HydrophobicContact CB-CE2 4.14Å; K343-Y434 HydrophobicContact CD-CE2 4.46Å
344R90Very high89.1Confident174 Ų17452.8 Ų52.866%0.65728%0.28SS*.Hα-helixtrans-64-51.2176-72.3-172.5-63.8157.81.9111.5A340 S341 L342 G346 T347 A348A340-R344 WeakPolarHBondContact O-CG 3.42Å; A340-R344 PolarHBondContact O-N 2.96Å; S341-R344 WeakPolarHBondContact O-CA 3.41Å; S341-R344 WeakPolarHBondContact O-CB 3.4Å; S341-R344 PolarHBondContact O-N 2.85Å; L342-R344 VanDerWaalsContact C-N 3.33Å; L342-R344 PolarHBondContact O-N 2.76Å; R344-G346 VanDerWaalsContact C-N 3.33Å; R344-G346 PolarHBondContact O-N 2.82Å; R344-T347 WeakPolarHBondContact CA-OG1 3.45Å; R344-T347 PolarHBondContact O-N 3.39Å; R344-T347 PolarHBondContact O-OG1 3.18Å; R344-A348 WeakPolarHBondContact O-CB 3.31Å; R344-A348 PolarHBondContact O-N 2.73Å
345T89.4Confident89.1Confident0 Ų052.4 Ų52.40%028%0.279CS..Hα-helixtrans-55.2-47.8177.1-45.80000111.1E291 M292 W337 S341 L342 A348 T349E291-T345 HydrophobicContact CB-CG2 4.13Å; E291-T345 HydrophobicContact CG-CG2 3.99Å; E291-T345 PolarHBondContact OE1-OG1 2.93Å; E291-T345 WeakPolarHBondContact OE2-CA 3.47Å; E291-T345 VanDerWaalsContact OE2-CB 3.28Å; E291-T345 WeakPolarHBondContact OE2-CB 3.42Å; E291-T345 VanDerWaalsContact OE2-CG2 3.28Å; E291-T345 WeakPolarHBondContact OE2-CG2 3.48Å; E291-T345 PolarHBondContact OE2-OG1 3.06Å; M292-T345 HydrophobicContact CG-CG2 3.81Å; W337-T345 HydrophobicContact CZ2-CG2 4.07Å; S341-T345 PolarHBondContact O-N 2.88Å; S341-T345 PolarHBondContact O-OG1 2.74Å; L342-T345 PolarHBondContact O-N 2.88Å; T345-A348 PolarHBondContact O-N 3.49Å; T345-T349 VanDerWaalsContact O-CB 3.28Å; T345-T349 WeakPolarHBondContact O-CB 3.21Å; T345-T349 PolarHBondContact O-N 2.73Å; T345-T349 PolarHBondContact O-OG1 3.17Å
346G90.1Very high89.3Confident5 Ų546.5 Ų46.55%0.05225%0.252CS..Hα-helixtrans-62.7-43.9178.700000112.6L342 R344 T349 L350L342-G346 PolarHBondContact O-N 2.93Å; R344-G346 VanDerWaalsContact C-N 3.33Å; R344-G346 PolarHBondContact O-N 2.82Å; G346-T349 PolarHBondContact O-N 3.19Å; G346-L350 WeakPolarHBondContact O-CB 3.2Å; G346-L350 VanDerWaalsContact O-CG 3.23Å; G346-L350 WeakPolarHBondContact O-CG 3.5Å; G346-L350 PolarHBondContact O-N 2.79Å
347T90.4Very high89.5Confident86 Ų8646.7 Ų46.753%0.52825%0.25SS..Hα-helixtrans-65.1-41175.953.80000112.9K343 R344 K351K343-T347 VanDerWaalsContact O-CG2 3.31Å; K343-T347 WeakPolarHBondContact O-CG2 3.32Å; K343-T347 PolarHBondContact O-N 2.83Å; K343-T347 PolarHBondContact O-OG1 3.4Å; K343-T347 VanDerWaalsContact O-OG1 3.08Å; R344-T347 WeakPolarHBondContact CA-OG1 3.45Å; R344-T347 PolarHBondContact O-N 3.39Å; R344-T347 PolarHBondContact O-OG1 3.18Å; T347-K351 VanDerWaalsContact O-CB 3.27Å; T347-K351 WeakPolarHBondContact O-CB 3.31Å; T347-K351 PolarHBondContact O-N 3.07Å
348A88.8Confident89.6Confident54 Ų5448.9 Ų48.945%0.44626%0.264SS..Hα-helixtrans-64.9-44.9176.500000110.9R344 T345 K351 A352R344-A348 WeakPolarHBondContact O-CB 3.31Å; R344-A348 PolarHBondContact O-N 2.73Å; T345-A348 PolarHBondContact O-N 3.49Å; A348-K351 PolarHBondContact O-N 3.37Å; A348-A352 WeakPolarHBondContact O-CB 3.23Å; A348-A352 PolarHBondContact O-N 2.76Å
349T88.8Confident89.7Confident3 Ų346.5 Ų46.52%0.01825%0.249CC..Hα-helixtrans-59.5-53.1178.6-56.50000111.4M288 M292 T345 G346 K351 A352 Y353 L426 F430M288-T349 HydrophobicContact CG-CG2 3.96Å; M288-T349 HydrophobicContact SD-CG2 3.79Å; M292-T349 HydrophobicContact SD-CG2 3.96Å; T345-T349 VanDerWaalsContact O-CB 3.28Å; T345-T349 WeakPolarHBondContact O-CB 3.21Å; T345-T349 PolarHBondContact O-N 2.73Å; T345-T349 PolarHBondContact O-OG1 3.17Å; G346-T349 PolarHBondContact O-N 3.19Å; T349-K351 VanDerWaalsContact C-N 3.3Å; T349-K351 PolarHBondContact O-N 3.1Å; T349-A352 PolarHBondContact O-N 2.8Å; T349-Y353 HydrophobicContact CG2-CD2 4Å; T349-Y353 HydrophobicContact CG2-CE2 3.96Å; T349-Y353 WeakPolarHBondContact O-CD2 2.96Å; T349-Y353 PolarHBondContact O-N 3.05Å; T349-L426 HydrophobicContact CG2-CD1 4.2Å; T349-F430 HydrophobicContact CG2-CE2 4.08Å; T349-F430 HydrophobicContact CG2-CZ 4.35Å
350L90.3Very high89.9Confident39 Ų3945.7 Ų45.720%0.20424%0.242CC..Hα-helixtrans-62-39.2179.6-66.8174.5000111.9G346 Y353 E354 L423 L426 R427G346-L350 WeakPolarHBondContact O-CB 3.2Å; G346-L350 VanDerWaalsContact O-CG 3.23Å; G346-L350 WeakPolarHBondContact O-CG 3.5Å; G346-L350 PolarHBondContact O-N 2.79Å; L350-Y353 PolarHBondContact O-N 3.45Å; L350-E354 WeakPolarHBondContact O-CG 3.36Å; L350-E354 PolarHBondContact O-N 3.43Å; L350-E354 VanDerWaalsContact O-N 3.12Å; L350-L423 HydrophobicContact CD2-CD2 3.99Å; L350-L423 HydrophobicContact CD2-CG 4.2Å; L350-L426 HydrophobicContact CD2-CB 4.31Å; L350-R427 HydrophobicContact CD1-CG 3.88Å; L350-R427 HydrophobicContact CD2-CG 3.6Å; L350-R427 HydrophobicContact CG-CG 4.41Å
351K89.1Confident90Very high153 Ų15348.5 Ų48.567%0.66524%0.242SC*.Hα-helixtrans-65.4-40.8176.4-172.5180178.5-173.10111.8T347 A348 T349 E354 S355T347-K351 VanDerWaalsContact O-CB 3.27Å; T347-K351 WeakPolarHBondContact O-CB 3.31Å; T347-K351 PolarHBondContact O-N 3.07Å; A348-K351 PolarHBondContact O-N 3.37Å; T349-K351 VanDerWaalsContact C-N 3.3Å; T349-K351 PolarHBondContact O-N 3.1Å; K351-E354 PolarHBondContact O-N 2.82Å; K351-S355 PolarHBondContact O-N 2.89Å; K351-S355 PolarHBondContact O-OG 3.15Å; K351-S355 VanDerWaalsContact O-OG 3.12Å
352A88Confident89.9Confident16 Ų1650.8 Ų50.813%0.13225%0.251CS..Hα-helixtrans-62.8-44.8177.500000111.7M288 A348 T349 E354 S355 I356M288-A352 HydrophobicContact CB-CB 3.72Å; M288-A352 HydrophobicContact CG-CB 3.75Å; M288-A352 HydrophobicContact SD-CB 3.81Å; A348-A352 WeakPolarHBondContact O-CB 3.23Å; A348-A352 PolarHBondContact O-N 2.76Å; T349-A352 PolarHBondContact O-N 2.8Å; A352-E354 PolarHBondContact O-N 2.82Å; A352-S355 WeakPolarHBondContact O-CB 3.49Å; A352-S355 PolarHBondContact O-N 2.89Å; A352-I356 WeakPolarHBondContact O-CG1 3.41Å; A352-I356 PolarHBondContact O-N 3.39Å
353Y89.7Confident89.9Confident3 Ų350.7 Ų50.71%0.01225%0.251CS..Hα-helixtrans-60.4-43.3174.4-89-82.1000113.1M288 T349 L350 S355 I356 K357 I419 L426 D483 V485M288-Y353 HydrophobicContact CE-CD2 4.18Å; M288-Y353 HydrophobicContact CE-CE2 3.5Å; M288-Y353 HydrophobicContact SD-CD2 3.34Å; M288-Y353 WeakPolarHBondContact SD-CD2 3.32Å; M288-Y353 HydrophobicContact SD-CE2 3.27Å; M288-Y353 WeakPolarHBondContact SD-CE2 3.41Å; M288-Y353 HydrophobicContact SD-CG 4.29Å; T349-Y353 HydrophobicContact CG2-CD2 4Å; T349-Y353 HydrophobicContact CG2-CE2 3.96Å; T349-Y353 WeakPolarHBondContact O-CD2 2.96Å; T349-Y353 PolarHBondContact O-N 3.05Å; L350-Y353 PolarHBondContact O-N 3.45Å; Y353-S355 VanDerWaalsContact C-N 3.33Å; Y353-S355 PolarHBondContact O-N 3.1Å; Y353-I356 PolarHBondContact O-N 3.06Å; Y353-K357 WeakPolarHBondContact O-CB 3.42Å; Y353-K357 PolarHBondContact O-N 3.03Å; Y353-I419 HydrophobicContact CD1-CB 4.29Å; Y353-I419 HydrophobicContact CD1-CG1 4.07Å; Y353-I419 HydrophobicContact CD1-CG2 3.77Å; Y353-I419 HydrophobicContact CE1-CG1 4.28Å; Y353-L426 HydrophobicContact CD2-CD1 3.97Å; Y353-L426 HydrophobicContact CE2-CD1 3.36Å; Y353-D483 WeakPolarHBondContact OH-CB 3.48Å; Y353-V485 HydrophobicContact CD1-CG2 4.49Å; Y353-V485 HydrophobicContact CE1-CG2 3.65Å
354E89.3Confident90.1Very high68 Ų6844.6 Ų44.632%0.31822%0.224SC..Hα-helixtrans-64.4-37.5175.4-67.4-67.7-178.500111.7L350 K351 A352 T358 L423 R427L350-E354 WeakPolarHBondContact O-CG 3.36Å; L350-E354 PolarHBondContact O-N 3.43Å; L350-E354 VanDerWaalsContact O-N 3.12Å; K351-E354 PolarHBondContact O-N 2.82Å; A352-E354 PolarHBondContact O-N 2.82Å; E354-T358 WeakPolarHBondContact O-CB 3.15Å; E354-T358 PolarHBondContact O-N 3.08Å; E354-T358 PolarHBondContact O-OG1 3.25Å; E354-L423 HydrophobicContact CG-CD1 3.97Å; E354-L423 WeakPolarHBondContact OE1-CD1 2.82Å; E354-R427 IonicContact OE1-CZ 2.79Å; E354-R427 IonicContact OE1-NH2 3.82Å; E354-R427 PolarHBondContact OE1-NH2 3Å
355S89Confident90.3Very high42 Ų4237.1 Ų37.129%0.29420%0.197SC..Hα-helixtrans-63.2-49.3173.3-66.90000111.8K351 A352 Y353 K357 T358 I359K351-S355 PolarHBondContact O-N 2.89Å; K351-S355 PolarHBondContact O-OG 3.15Å; K351-S355 VanDerWaalsContact O-OG 3.12Å; A352-S355 WeakPolarHBondContact O-CB 3.49Å; A352-S355 PolarHBondContact O-N 2.89Å; Y353-S355 VanDerWaalsContact C-N 3.33Å; Y353-S355 PolarHBondContact O-N 3.1Å; S355-K357 VanDerWaalsContact C-N 3.32Å; S355-K357 PolarHBondContact O-N 2.83Å; S355-T358 WeakPolarHBondContact O-CB 3.5Å; S355-T358 PolarHBondContact O-N 3.17Å; S355-T358 VanDerWaalsContact O-N 3.14Å; S355-I359 VanDerWaalsContact O-CG1 3.31Å; S355-I359 WeakPolarHBondContact O-CG1 3.39Å; S355-I359 PolarHBondContact O-N 2.92Å
356I91.1Very high90.4Very high0 Ų038 Ų380%020%0.201CC..Hα-helixtrans-59.2-45.5178.2-67.2165.6000110.3V281 C284 W285 A352 Y353 T358 I359 C360 I419V281-I356 HydrophobicContact CB-CG2 4.5Å; V281-I356 HydrophobicContact CG1-CG1 4.46Å; V281-I356 HydrophobicContact CG1-CG2 3.67Å; V281-I356 HydrophobicContact CG2-CG2 4.25Å; C284-I356 HydrophobicContact CB-CD1 4.24Å; C284-I356 HydrophobicContact CB-CG1 3.75Å; W285-I356 HydrophobicContact CB-CD1 3.89Å; A352-I356 WeakPolarHBondContact O-CG1 3.41Å; A352-I356 PolarHBondContact O-N 3.39Å; Y353-I356 PolarHBondContact O-N 3.06Å; I356-T358 VanDerWaalsContact C-N 3.31Å; I356-T358 PolarHBondContact O-N 3.01Å; I356-I359 PolarHBondContact O-N 2.69Å; I356-C360 WeakPolarHBondContact O-CB 3.35Å; I356-C360 PolarHBondContact O-N 3.03Å; I356-C360 PolarHBondContact O-SG 3.44Å; I356-I419 HydrophobicContact CB-CD1 4.37Å; I356-I419 HydrophobicContact CG2-CD1 3.54Å
357K90.8Very high90.6Very high56 Ų5637.8 Ų37.824%0.24320%0.198CC..Hα-helixtrans-57-46.1175.7-173.7-175.4-179.8-178.10111.3Y353 S355 C360 F361 I419 E420Y353-K357 WeakPolarHBondContact O-CB 3.42Å; Y353-K357 PolarHBondContact O-N 3.03Å; S355-K357 VanDerWaalsContact C-N 3.32Å; S355-K357 PolarHBondContact O-N 2.83Å; K357-C360 PolarHBondContact O-N 3.32Å; K357-F361 WeakPolarHBondContact O-CB 3.26Å; K357-F361 PolarHBondContact O-N 3.32Å; K357-I419 HydrophobicContact CB-CG2 4.07Å; K357-E420 HydrophobicContact CD-CG 4.34Å; K357-E420 WeakPolarHBondContact CE-OE1 3.34Å; K357-E420 IonicContact NZ-OE1 2.83Å; K357-E420 PolarHBondContact NZ-OE1 3.33Å
358T90.3Very high90.9Very high46 Ų4633.7 Ų33.728%0.28217%0.173SC..Hα-helixtrans-63.3-43.6178.4-58.20000111.7E354 S355 I356 F361 Q362E354-T358 WeakPolarHBondContact O-CB 3.15Å; E354-T358 PolarHBondContact O-N 3.08Å; E354-T358 PolarHBondContact O-OG1 3.25Å; S355-T358 WeakPolarHBondContact O-CB 3.5Å; S355-T358 PolarHBondContact O-N 3.17Å; S355-T358 VanDerWaalsContact O-N 3.14Å; I356-T358 VanDerWaalsContact C-N 3.31Å; I356-T358 PolarHBondContact O-N 3.01Å; T358-F361 PolarHBondContact O-N 2.93Å; T358-Q362 HydrophobicContact CG2-CG 4.12Å; T358-Q362 WeakPolarHBondContact O-CB 3.16Å; T358-Q362 PolarHBondContact O-N 2.86Å
359I90.4Very high91.1Very high6 Ų635.8 Ų35.83%0.03117%0.174CC..Hα-helixtrans-62.7-46176.4-66162.8000110.6T144 Q280 V281 S355 I356 F361 Q363 I364T144-I359 HydrophobicContact CG2-CG1 3.92Å; Q280-I359 HydrophobicContact CB-CD1 4.18Å; V281-I359 HydrophobicContact CG2-CB 4.04Å; V281-I359 HydrophobicContact CG2-CG2 3.56Å; S355-I359 VanDerWaalsContact O-CG1 3.31Å; S355-I359 WeakPolarHBondContact O-CG1 3.39Å; S355-I359 PolarHBondContact O-N 2.92Å; I356-I359 PolarHBondContact O-N 2.69Å; I359-F361 VanDerWaalsContact C-N 3.3Å; I359-F361 PolarHBondContact O-N 2.65Å; I359-Q363 HydrophobicContact CG2-CB 4.37Å; I359-Q363 WeakPolarHBondContact O-CA 3.04Å; I359-Q363 WeakPolarHBondContact O-CB 3.37Å; I359-Q363 PolarHBondContact O-N 3.49Å; I359-I364 HydrophobicContact CG2-CG1 4.48Å; I359-I364 PolarHBondContact O-N 3.09Å
360C92.7Very high91.4Very high0 Ų036.5 Ų36.50%018%0.176CC..Iπ-helixtrans-58.2-44.3177.6-68.40000111.4I356 K357 Q365 T412 Q416I356-C360 WeakPolarHBondContact O-CB 3.35Å; I356-C360 PolarHBondContact O-N 3.03Å; I356-C360 PolarHBondContact O-SG 3.44Å; K357-C360 PolarHBondContact O-N 3.32Å; C360-Q365 WeakPolarHBondContact O-CG 3.28Å; C360-Q365 PolarHBondContact O-N 3.04Å; C360-Q365 VanDerWaalsContact O-N 3.09Å; C360-T412 HydrophobicContact CB-CG2 4.05Å; C360-Q416 VanDerWaalsContact C-NE2 3.27Å; C360-Q416 HydrophobicContact CB-CG 3.87Å
361F90.7Very high91.6Very high126 Ų12634.7 Ų34.755%0.55317%0.167SC*.Iπ-helixtrans-77.3-48.8-176-179.3-110.4000113.1K357 T358 I359K357-F361 WeakPolarHBondContact O-CB 3.26Å; K357-F361 PolarHBondContact O-N 3.32Å; T358-F361 PolarHBondContact O-N 2.93Å; I359-F361 VanDerWaalsContact C-N 3.3Å; I359-F361 PolarHBondContact O-N 2.65Å
362Q88.3Confident91.9Very high58 Ų5829.4 Ų29.427%0.27115%0.145SC..Iπ-helixtrans-86.8-29.5-172.4-63.1-176.4-24.500113.4L142 S143 T144 T358 F366L142-Q362 WeakPolarHBondContact CD2-O 3.38Å; S143-Q362 VanDerWaalsContact OG-CD 3.29Å; S143-Q362 PolarHBondContact OG-NE2 2.95Å; S143-Q362 PolarHBondContact OG-OE1 3.33Å; T144-Q362 PolarHBondContact OG1-OE1 3.31Å; T358-Q362 HydrophobicContact CG2-CG 4.12Å; T358-Q362 WeakPolarHBondContact O-CB 3.16Å; T358-Q362 PolarHBondContact O-N 2.86Å; Q362-F366 VanDerWaalsContact O-CB 3.23Å; Q362-F366 WeakPolarHBondContact O-CB 3.2Å
363Q90.1Very high92.1Very high1 Ų131 Ų311%0.00515%0.15CC..Iπ-helixtrans-107.8-59.8-175.6-55.3-177.9300112.3L142 S277 I359 Q365 F366 F367L142-Q363 HydrophobicContact CD1-CG 4.33Å; S277-Q363 WeakPolarHBondContact OG-CB 3.26Å; S277-Q363 PolarHBondContact OG-OE1 3.41Å; I359-Q363 HydrophobicContact CG2-CB 4.37Å; I359-Q363 WeakPolarHBondContact O-CA 3.04Å; I359-Q363 WeakPolarHBondContact O-CB 3.37Å; I359-Q363 PolarHBondContact O-N 3.49Å; Q363-Q365 PolarHBondContact O-N 3.46Å; Q363-F366 WeakPolarHBondContact O-CB 3.24Å; Q363-F366 PolarHBondContact O-N 3.24Å; Q363-F367 HydrophobicContact CB-CD2 4.45Å; Q363-F367 HydrophobicContact CB-CE2 4.17Å; Q363-F367 WeakPolarHBondContact O-CD2 3.48Å; Q363-F367 PolarHBondContact O-N 3.39Å
364I94.1Very high92.3Very high0 Ų030.9 Ų30.90%015%0.149CC..Iπ-helixtrans-61.8-51.7-174.1-65.2179.8000110.5L274 F278 V281 I359 F366 F367 L368 T412L274-I364 HydrophobicContact CD1-CB 4.34Å; L274-I364 HydrophobicContact CD1-CG1 4.41Å; L274-I364 HydrophobicContact CD1-CG2 3.88Å; F278-I364 HydrophobicContact CD2-CD1 4.49Å; V281-I364 HydrophobicContact CG2-CD1 3.94Å; I359-I364 HydrophobicContact CG2-CG1 4.48Å; I359-I364 PolarHBondContact O-N 3.09Å; I364-F366 VanDerWaalsContact C-N 3.3Å; I364-F366 PolarHBondContact O-N 3.3Å; I364-F367 PolarHBondContact O-N 3Å; I364-L368 HydrophobicContact CG2-CD1 3.76Å; I364-L368 HydrophobicContact CG2-CG 4.32Å; I364-L368 WeakPolarHBondContact O-CB 3.37Å; I364-L368 VanDerWaalsContact O-CG 3.24Å; I364-L368 WeakPolarHBondContact O-CG 3.48Å; I364-L368 PolarHBondContact O-N 3.25Å; I364-T412 HydrophobicContact CB-CG2 4.27Å; I364-T412 HydrophobicContact CG2-CG2 3.73Å
365Q94Very high92.6Very high17 Ų1727.6 Ų27.68%0.07913%0.134CC..Hα-helixtrans-60.3-40.2177.3-72.4-178.51.100112.4C360 Q363 L368 Q369 L409 T412 Q416C360-Q365 WeakPolarHBondContact O-CG 3.28Å; C360-Q365 PolarHBondContact O-N 3.04Å; C360-Q365 VanDerWaalsContact O-N 3.09Å; Q363-Q365 PolarHBondContact O-N 3.46Å; Q365-L368 PolarHBondContact O-N 3.42Å; Q365-Q369 WeakPolarHBondContact O-CB 3.24Å; Q365-Q369 VanDerWaalsContact O-CG 3.27Å; Q365-Q369 WeakPolarHBondContact O-CG 3.4Å; Q365-Q369 PolarHBondContact O-N 3.03Å; Q365-L409 HydrophobicContact CB-CD1 4.19Å; Q365-L409 HydrophobicContact CG-CD1 3.86Å; Q365-T412 HydrophobicContact CG-CG2 4.07Å; Q365-Q416 VanDerWaalsContact NE2-OE1 3.11Å
366F92.6Very high92.8Very high19 Ų1928.3 Ų28.38%0.08314%0.139CC..Hα-helixtrans-59.9-49.3177.3174.6-97.1000112F136 P137 V139 L142 Q362 Q363 I364 Q369 R370F136-F366 HydrophobicContact CB-CE2 4.33Å; F136-F366 HydrophobicContact CB-CZ 4.26Å; F136-F366 HydrophobicContact CD1-CD2 4.48Å; F136-F366 AromaticContact CD1-CE2 3.85Å; F136-F366 HydrophobicContact CD1-CE2 3.85Å; F136-F366 HydrophobicContact CD1-CZ 4.22Å; P137-F366 HydrophobicContact CG-CE2 3.8Å; P137-F366 HydrophobicContact CG-CZ 4.39Å; V139-F366 HydrophobicContact CG2-CE1 4.34Å; L142-F366 HydrophobicContact CD1-CD1 3.84Å; L142-F366 HydrophobicContact CD1-CE1 4.22Å; L142-F366 HydrophobicContact CD1-CG 4.4Å; L142-F366 HydrophobicContact CD2-CD1 4.37Å; L142-F366 HydrophobicContact CD2-CD2 4.47Å; L142-F366 HydrophobicContact CD2-CG 4.26Å; Q362-F366 VanDerWaalsContact O-CB 3.23Å; Q362-F366 WeakPolarHBondContact O-CB 3.2Å; Q363-F366 WeakPolarHBondContact O-CB 3.24Å; Q363-F366 PolarHBondContact O-N 3.24Å; I364-F366 VanDerWaalsContact C-N 3.3Å; I364-F366 PolarHBondContact O-N 3.3Å; F366-Q369 PolarHBondContact O-N 3.48Å; F366-R370 WeakPolarHBondContact O-CB 3.48Å; F366-R370 PolarHBondContact O-N 2.89Å
367F94.4Very high92.8Very high0 Ų031.4 Ų31.40%015%0.153CC..Hα-helixtrans-68.5-34.8178.9-65.2-50.3000112.4V139 L142 T270 L273 L274 S277 Q363 I364 R370 L371V139-F367 HydrophobicContact CG1-CE1 4.06Å; V139-F367 HydrophobicContact CG1-CZ 3.93Å; V139-F367 HydrophobicContact CG2-CE1 4.32Å; L142-F367 HydrophobicContact CD1-CE2 4.37Å; L142-F367 HydrophobicContact CD1-CZ 3.93Å; T270-F367 HydrophobicContact CG2-CB 4.12Å; T270-F367 HydrophobicContact CG2-CD1 4.08Å; L273-F367 HydrophobicContact CB-CD1 4.09Å; L273-F367 HydrophobicContact CB-CD2 4.24Å; L273-F367 HydrophobicContact CB-CE1 3.79Å; L273-F367 HydrophobicContact CB-CE2 3.94Å; L273-F367 HydrophobicContact CB-CG 4.33Å; L273-F367 HydrophobicContact CB-CZ 3.71Å; L273-F367 HydrophobicContact CD1-CD1 4.45Å; L273-F367 HydrophobicContact CD1-CE1 3.75Å; L273-F367 HydrophobicContact CD1-CZ 4.14Å; L273-F367 HydrophobicContact CD2-CZ 4.34Å; L273-F367 HydrophobicContact CG-CE1 4.31Å; L273-F367 HydrophobicContact CG-CZ 4.29Å; L274-F367 HydrophobicContact CB-CB 4.13Å; L274-F367 HydrophobicContact CD1-CB 4.38Å; S277-F367 WeakPolarHBondContact OG-CE2 3.48Å; Q363-F367 HydrophobicContact CB-CD2 4.45Å; Q363-F367 HydrophobicContact CB-CE2 4.17Å; Q363-F367 WeakPolarHBondContact O-CD2 3.48Å; Q363-F367 PolarHBondContact O-N 3.39Å; I364-F367 PolarHBondContact O-N 3Å; F367-R370 PolarHBondContact O-N 2.94Å; F367-L371 WeakPolarHBondContact O-CB 3.26Å; F367-L371 VanDerWaalsContact O-CG 3.31Å; F367-L371 WeakPolarHBondContact O-CG 3.49Å; F367-L371 PolarHBondContact O-N 3.16Å
368L96.2Very high92.9Very high1 Ų128.9 Ų28.91%0.00514%0.143CC..Hα-helixtrans-64.3-41.8173.1-70.5172.3000112.1L274 I364 Q365 L371 L372 I405 T408 L409 M552L274-L368 HydrophobicContact CD1-CD2 4.38Å; L274-L368 HydrophobicContact CD1-CG 4.27Å; L274-L368 HydrophobicContact CD2-CD2 3.77Å; L274-L368 HydrophobicContact CD2-CG 4.48Å; I364-L368 HydrophobicContact CG2-CD1 3.76Å; I364-L368 HydrophobicContact CG2-CG 4.32Å; I364-L368 WeakPolarHBondContact O-CB 3.37Å; I364-L368 VanDerWaalsContact O-CG 3.24Å; I364-L368 WeakPolarHBondContact O-CG 3.48Å; I364-L368 PolarHBondContact O-N 3.25Å; Q365-L368 PolarHBondContact O-N 3.42Å; L368-L371 PolarHBondContact O-N 3.02Å; L368-L372 WeakPolarHBondContact O-CB 3.43Å; L368-L372 PolarHBondContact O-N 3.46Å; L368-I405 HydrophobicContact CB-CG2 4.4Å; L368-I405 HydrophobicContact CD2-CG2 4.26Å; L368-I405 WeakPolarHBondContact O-CG2 3.18Å; L368-T408 HydrophobicContact CD1-CG2 3.9Å; L368-T408 HydrophobicContact CD2-CG2 3.78Å; L368-L409 HydrophobicContact CB-CD1 4.27Å; L368-L409 HydrophobicContact CD1-CB 4.29Å; L368-L409 HydrophobicContact CD1-CD1 4.14Å; L368-M552 HydrophobicContact CD2-CE 3.83Å
369Q94Very high93.1Very high97 Ų9727.4 Ų27.445%0.45313%0.133SC..Hα-helixtrans-64.9-40174.9-73.7171.6-11.100111.8F136 Q365 F366 L372 F373F136-Q369 HydrophobicContact CE1-CB 4.26Å; Q365-Q369 WeakPolarHBondContact O-CB 3.24Å; Q365-Q369 VanDerWaalsContact O-CG 3.27Å; Q365-Q369 WeakPolarHBondContact O-CG 3.4Å; Q365-Q369 PolarHBondContact O-N 3.03Å; F366-Q369 PolarHBondContact O-N 3.48Å; Q369-L372 WeakPolarHBondContact O-CB 3.41Å; Q369-L372 PolarHBondContact O-N 3.02Å; Q369-F373 PolarHBondContact O-N 3.04Å
370R93.3Very high93.2Very high19 Ų1929.2 Ų29.27%0.07215%0.153CC..Hα-helixtrans-65-41.9175.1-171.5-178.217897.51.1112.1V132 F136 T270 F366 F367 F373 H374V132-R370 VanDerWaalsContact CG1-CZ 3.42Å; V132-R370 VanDerWaalsContact CG1-NH1 3.26Å; F136-R370 HydrophobicContact CD1-CB 4.17Å; F136-R370 HydrophobicContact CD1-CG 4.46Å; F136-R370 HydrophobicContact CE1-CB 3.89Å; F136-R370 HydrophobicContact CE1-CG 4.45Å; F136-R370 HydrophobicContact CZ-CB 4.27Å; T270-R370 HydrophobicContact CG2-CB 4.06Å; T270-R370 HydrophobicContact CG2-CG 4.09Å; F366-R370 WeakPolarHBondContact O-CB 3.48Å; F366-R370 PolarHBondContact O-N 2.89Å; F367-R370 PolarHBondContact O-N 2.94Å; R370-F373 WeakPolarHBondContact O-CB 3.18Å; R370-F373 PolarHBondContact O-N 3.37Å; R370-H374 PolarHBondContact O-CD2 3.42Å; R370-H374 PolarHBondContact O-N 3.02Å; R370-H374 VanDerWaalsContact O-N 3.13Å
371L95.4Very high93.1Very high1 Ų129.4 Ų29.41%0.00516%0.155CC..Hα-helixtrans-61-45.2172.3-74.8170.6000111I267 T270 L274 F367 L368 F373 H374 V375 I405 M552I267-L371 HydrophobicContact CB-CD2 4.38Å; I267-L371 HydrophobicContact CG2-CD2 4Å; T270-L371 HydrophobicContact CG2-CD2 3.94Å; T270-L371 HydrophobicContact CG2-CG 3.71Å; L274-L371 HydrophobicContact CD2-CD1 3.83Å; F367-L371 WeakPolarHBondContact O-CB 3.26Å; F367-L371 VanDerWaalsContact O-CG 3.31Å; F367-L371 WeakPolarHBondContact O-CG 3.49Å; F367-L371 PolarHBondContact O-N 3.16Å; L368-L371 PolarHBondContact O-N 3.02Å; L371-F373 VanDerWaalsContact C-N 3.27Å; L371-F373 PolarHBondContact O-N 3.43Å; L371-H374 PolarHBondContact O-N 3.39Å; L371-V375 VanDerWaalsContact O-CG2 3.25Å; L371-V375 WeakPolarHBondContact O-CG2 3.35Å; L371-V375 PolarHBondContact O-N 3.1Å; L371-I405 HydrophobicContact CB-CD1 3.82Å; L371-I405 HydrophobicContact CB-CG1 4.38Å; L371-M552 HydrophobicContact CD1-SD 3.95Å
372L94.5Very high93.1Very high41 Ų4123.8 Ų23.822%0.21513%0.13CC..Hα-helixtrans-56.1-43.8177.5-170.274.5000111.3L368 Q369 S376 L402 I405 Y536L368-L372 WeakPolarHBondContact O-CB 3.43Å; L368-L372 PolarHBondContact O-N 3.46Å; Q369-L372 WeakPolarHBondContact O-CB 3.41Å; Q369-L372 PolarHBondContact O-N 3.02Å; L372-S376 VanDerWaalsContact O-CB 3.27Å; L372-S376 WeakPolarHBondContact O-CB 3.21Å; L372-S376 PolarHBondContact O-N 2.64Å; L372-S376 PolarHBondContact O-OG 3.12Å; L372-L402 HydrophobicContact CD1-CD2 3.53Å; L372-L402 HydrophobicContact CG-CD2 4.31Å; L372-I405 HydrophobicContact CB-CG2 4.14Å; L372-I405 HydrophobicContact CD1-CG2 4.19Å; L372-Y536 WeakPolarHBondContact CD1-OH 3.39Å
373F93.6Very high93.3Very high50 Ų5027 Ų2722%0.21914%0.14CC..Hα-helixtrans-58.6-55.7174.8173.5-90.3000112.1V132 Y135 F136 Q369 R370 L371 V375 S376 E377V132-F373 HydrophobicContact CG2-CE1 3.8Å; Y135-F373 HydrophobicContact CD2-CE2 4.15Å; Y135-F373 HydrophobicContact CD2-CZ 4.39Å; Y135-F373 HydrophobicContact CE2-CE2 4.5Å; F136-F373 HydrophobicContact CE2-CB 3.81Å; F136-F373 HydrophobicContact CE2-CD1 4.19Å; F136-F373 HydrophobicContact CE2-CD2 4.11Å; F136-F373 AromaticContact CE2-CG 3.76Å; F136-F373 HydrophobicContact CE2-CG 3.76Å; F136-F373 HydrophobicContact CZ-CB 3.8Å; F136-F373 HydrophobicContact CZ-CG 4.27Å; Q369-F373 PolarHBondContact O-N 3.04Å; R370-F373 WeakPolarHBondContact O-CB 3.18Å; R370-F373 PolarHBondContact O-N 3.37Å; L371-F373 VanDerWaalsContact C-N 3.27Å; L371-F373 PolarHBondContact O-N 3.43Å; F373-V375 VanDerWaalsContact C-N 3.35Å; F373-V375 PolarHBondContact O-N 2.98Å; F373-S376 WeakPolarHBondContact O-CB 3.45Å; F373-S376 PolarHBondContact O-N 2.86Å; F373-E377 HydrophobicContact CE1-CG 4.13Å; F373-E377 HydrophobicContact CZ-CG 4.1Å; F373-E377 PolarHBondContact O-N 2.99Å
374H93.4Very high93.2Very high0 Ų029.9 Ų29.90%016%0.155CC..Hα-helixtrans-62.1-40.6-177-71.8-63.9000112.8Q263 S266 I267 R370 L371 S376 E377 V378Q263-H374 PolarHBondContact OE1-ND1 2.72Å; S266-H374 VanDerWaalsContact CB-CE1 3.44Å; S266-H374 WeakPolarHBondContact CB-CE1 3.33Å; I267-H374 HydrophobicContact CD1-CB 4.23Å; I267-H374 HydrophobicContact CG1-CB 3.66Å; R370-H374 PolarHBondContact O-CD2 3.42Å; R370-H374 PolarHBondContact O-N 3.02Å; R370-H374 VanDerWaalsContact O-N 3.13Å; L371-H374 PolarHBondContact O-N 3.39Å; H374-S376 VanDerWaalsContact C-N 3.34Å; H374-E377 WeakPolarHBondContact O-CB 3.31Å; H374-E377 PolarHBondContact O-N 3.1Å; H374-V378 WeakPolarHBondContact O-CG2 3.39Å; H374-V378 PolarHBondContact O-N 2.96Å; H374-V378 VanDerWaalsContact O-N 3.1Å
375V95Very high92.7Very high0 Ų034.5 Ų34.50%018%0.183CC..Hα-helixtrans-72.6-30.7179.3-174.60000111I267 L371 F373 V378 L379 A398 L401 L402 I405I267-V375 HydrophobicContact CD1-CG2 3.74Å; I267-V375 HydrophobicContact CG1-CG2 4.1Å; L371-V375 VanDerWaalsContact O-CG2 3.25Å; L371-V375 WeakPolarHBondContact O-CG2 3.35Å; L371-V375 PolarHBondContact O-N 3.1Å; F373-V375 VanDerWaalsContact C-N 3.35Å; F373-V375 PolarHBondContact O-N 2.98Å; V375-V378 PolarHBondContact O-N 3.12Å; V375-L379 WeakPolarHBondContact O-CB 3.39Å; V375-L379 PolarHBondContact O-N 3.28Å; V375-A398 HydrophobicContact CG1-CB 4.17Å; V375-A398 WeakPolarHBondContact CG1-O 3.24Å; V375-L401 HydrophobicContact CB-CD2 4.46Å; V375-L401 HydrophobicContact CG1-CB 4.11Å; V375-L401 HydrophobicContact CG1-CD2 3.97Å; V375-L401 HydrophobicContact CG1-CG 4.02Å; V375-L401 HydrophobicContact CG2-CD2 3.52Å; V375-L401 HydrophobicContact CG2-CG 3.92Å; V375-L402 HydrophobicContact CB-CD2 3.72Å; V375-L402 HydrophobicContact CB-CG 4.13Å; V375-L402 HydrophobicContact CG1-CD1 4.41Å; V375-L402 HydrophobicContact CG1-CD2 3.8Å; V375-L402 HydrophobicContact CG1-CG 3.6Å; V375-I405 HydrophobicContact CB-CD1 4.4Å; V375-I405 HydrophobicContact CG2-CD1 3.86Å
376S93.4Very high92.3Very high56 Ų5642.3 Ų42.339%0.39222%0.22SC..Hα-helixtrans-66.6-40.2173.7-60.60000111.8L372 F373 H374 V378 L379 G380L372-S376 VanDerWaalsContact O-CB 3.27Å; L372-S376 WeakPolarHBondContact O-CB 3.21Å; L372-S376 PolarHBondContact O-N 2.64Å; L372-S376 PolarHBondContact O-OG 3.12Å; F373-S376 WeakPolarHBondContact O-CB 3.45Å; F373-S376 PolarHBondContact O-N 2.86Å; H374-S376 VanDerWaalsContact C-N 3.34Å; S376-V378 VanDerWaalsContact C-N 3.35Å; S376-L379 PolarHBondContact O-N 2.83Å; S376-G380 PolarHBondContact O-N 3.19Å
377E91.7Very high91.9Very high65 Ų6545.2 Ų45.230%0.30424%0.236SC..Hα-helixtrans-60.8-43.3172.4-78-68.2137.500111.9R259 F373 H374 G380 S381R259-E377 IonicContact CZ-OE2 3.6Å; R259-E377 IonicContact NH2-OE2 3.92Å; R259-E377 PolarHBondContact NH2-OE2 3.49Å; F373-E377 HydrophobicContact CE1-CG 4.13Å; F373-E377 HydrophobicContact CZ-CG 4.1Å; F373-E377 PolarHBondContact O-N 2.99Å; H374-E377 WeakPolarHBondContact O-CB 3.31Å; H374-E377 PolarHBondContact O-N 3.1Å; E377-G380 PolarHBondContact O-N 2.86Å; E377-S381 WeakPolarHBondContact O-CB 3.31Å; E377-S381 PolarHBondContact O-N 3.41Å; E377-S381 PolarHBondContact O-OG 2.75Å
378V93.4Very high91.5Very high4 Ų445.7 Ų45.72%0.02424%0.238CC..Hα-helixtrans-63.1-45.5174.4173.70000110.8L260 Q263 I267 H374 V375 S376 G380 S381 L382 A398 L559L260-V378 HydrophobicContact CD2-CG1 4.02Å; L260-V378 HydrophobicContact CD2-CG2 4.44Å; Q263-V378 HydrophobicContact CB-CG2 3.48Å; Q263-V378 VanDerWaalsContact CB-CG2 3.48Å; Q263-V378 HydrophobicContact CG-CG2 4.01Å; I267-V378 HydrophobicContact CD1-CG2 4.27Å; H374-V378 WeakPolarHBondContact O-CG2 3.39Å; H374-V378 PolarHBondContact O-N 2.96Å; H374-V378 VanDerWaalsContact O-N 3.1Å; V375-V378 PolarHBondContact O-N 3.12Å; S376-V378 VanDerWaalsContact C-N 3.35Å; V378-G380 VanDerWaalsContact C-N 3.34Å; V378-G380 PolarHBondContact O-N 3.08Å; V378-S381 WeakPolarHBondContact O-CB 3.48Å; V378-S381 PolarHBondContact O-N 3.33Å; V378-S381 VanDerWaalsContact O-N 3.14Å; V378-L382 HydrophobicContact CG1-CD1 3.89Å; V378-L382 HydrophobicContact CG1-CG 4.15Å; V378-L382 VanDerWaalsContact O-CG 3.32Å; V378-L382 WeakPolarHBondContact O-CG 3.46Å; V378-L382 PolarHBondContact O-N 3.45Å; V378-A398 HydrophobicContact CG1-CB 4.28Å; V378-L559 HydrophobicContact CG1-CD1 3.98Å; V378-L559 HydrophobicContact CG1-CD2 4.28Å
379L93.7Very high90.9Very high14 Ų1452.6 Ų52.67%0.07327%0.27CS..Hα-helixtrans-59.5-44.8176.8177.462.9000111.6V375 S376 S381 L382 R383 P395 A398 L399 L402V375-L379 WeakPolarHBondContact O-CB 3.39Å; V375-L379 PolarHBondContact O-N 3.28Å; S376-L379 PolarHBondContact O-N 2.83Å; L379-S381 VanDerWaalsContact C-N 3.26Å; L379-S381 PolarHBondContact O-N 2.98Å; L379-L382 PolarHBondContact O-N 3.14Å; L379-R383 HydrophobicContact CD1-CG 4.26Å; L379-R383 WeakPolarHBondContact O-CG 3.29Å; L379-R383 PolarHBondContact O-N 3.36Å; L379-P395 HydrophobicContact CD1-CB 4.06Å; L379-A398 HydrophobicContact CB-CB 3.99Å; L379-A398 HydrophobicContact CD1-CB 4.22Å; L379-L399 HydrophobicContact CD2-CD1 4.45Å; L379-L402 HydrophobicContact CB-CD1 4.19Å; L379-L402 HydrophobicContact CD2-CD1 3.47Å; L379-L402 VanDerWaalsContact CD2-CD1 3.47Å; L379-L402 HydrophobicContact CG-CD1 4.43Å
380G92Very high90.3Very high45 Ų4552.1 Ų52.146%0.46427%0.268SS..Hα-helixtrans-58.3-40.7175.400000112S376 E377 V378S376-G380 PolarHBondContact O-N 3.19Å; E377-G380 PolarHBondContact O-N 2.86Å; V378-G380 VanDerWaalsContact C-N 3.34Å; V378-G380 PolarHBondContact O-N 3.08Å
381S90.9Very high89.9Confident4 Ų451.2 Ų51.23%0.02826%0.264CS..Hα-helixtrans-66.3-47.8176.7-54.90000111.3E377 V378 L379 R383 D384 Y388E377-S381 WeakPolarHBondContact O-CB 3.31Å; E377-S381 PolarHBondContact O-N 3.41Å; E377-S381 PolarHBondContact O-OG 2.75Å; V378-S381 WeakPolarHBondContact O-CB 3.48Å; V378-S381 PolarHBondContact O-N 3.33Å; V378-S381 VanDerWaalsContact O-N 3.14Å; L379-S381 VanDerWaalsContact C-N 3.26Å; L379-S381 PolarHBondContact O-N 2.98Å; S381-R383 VanDerWaalsContact C-N 3.26Å; S381-R383 PolarHBondContact O-N 2.78Å; S381-D384 WeakPolarHBondContact O-CB 3.42Å; S381-D384 PolarHBondContact O-N 3.27Å; S381-D384 VanDerWaalsContact O-N 3.14Å; S381-Y388 WeakPolarHBondContact O-CD2 3.44Å; S381-Y388 WeakPolarHBondContact O-CE2 3.35Å; S381-Y388 VanDerWaalsContact O-CG 3.26Å
382L91.8Very high89.4Confident8 Ų857.4 Ų57.44%0.04229%0.293CS..Hα-helixtrans-66.4-24.3180-66.1178.8000113.9L260 V378 L379 D384 I393 P395 A398 L559L260-L382 HydrophobicContact CD1-CD2 4.45Å; V378-L382 HydrophobicContact CG1-CD1 3.89Å; V378-L382 HydrophobicContact CG1-CG 4.15Å; V378-L382 VanDerWaalsContact O-CG 3.32Å; V378-L382 WeakPolarHBondContact O-CG 3.46Å; V378-L382 PolarHBondContact O-N 3.45Å; L379-L382 PolarHBondContact O-N 3.14Å; L382-D384 VanDerWaalsContact C-N 3.3Å; L382-I393 HydrophobicContact CD1-CB 4.44Å; L382-I393 HydrophobicContact CD1-CG2 3.69Å; L382-I393 HydrophobicContact CD2-CB 3.75Å; L382-I393 HydrophobicContact CD2-CD1 4.46Å; L382-I393 HydrophobicContact CD2-CG2 3.9Å; L382-I393 HydrophobicContact CG-CG2 4.46Å; L382-P395 HydrophobicContact CB-CB 4.38Å; L382-P395 HydrophobicContact CB-CG 4.23Å; L382-A398 HydrophobicContact CD1-CB 4.03Å; L382-L559 HydrophobicContact CD1-CD1 4.34Å
383R91.2Very high89.1Confident124 Ų12456.3 Ų56.347%0.46829%0.287SS..Hα-helixtrans-75-20.4175.4-77.9177.5175.5-169.6-5.1113.3L379 S381 T385 P395 D533L379-R383 HydrophobicContact CD1-CG 4.26Å; L379-R383 WeakPolarHBondContact O-CG 3.29Å; L379-R383 PolarHBondContact O-N 3.36Å; S381-R383 VanDerWaalsContact C-N 3.26Å; S381-R383 PolarHBondContact O-N 2.78Å; R383-T385 VanDerWaalsContact C-N 3.26Å; R383-T385 PolarHBondContact O-N 2.72Å; R383-P395 HydrophobicContact CG-CB 4.48Å; R383-D533 IonicContact CZ-OD2 2.7Å; R383-D533 IonicContact NH1-OD2 2.78Å; R383-D533 VanDerWaalsContact NH2-CG 3.29Å; R383-D533 IonicContact NH2-OD1 2.79Å; R383-D533 IonicContact NH2-OD2 3.67Å; R383-D533 PolarHBondContact NH2-OD2 3.27Å
384D89.5Confident88.9Confident63 Ų6357 Ų5734%0.33730%0.297SS..  trans-75.685.1170-171.9-22.4000109.1S381 L382 E386 L387 Y388S381-D384 WeakPolarHBondContact O-CB 3.42Å; S381-D384 PolarHBondContact O-N 3.27Å; S381-D384 VanDerWaalsContact O-N 3.14Å; L382-D384 VanDerWaalsContact C-N 3.3Å; D384-E386 PolarHBondContact O-N 3.28Å; D384-E386 PolarHBondContact OD1-N 2.96Å; D384-L387 PolarHBondContact O-N 3.26Å; D384-L387 PolarHBondContact OD1-N 3.31Å; D384-L387 VanDerWaalsContact OD2-CD1 3.29Å; D384-L387 WeakPolarHBondContact OD2-CD1 3.4Å; D384-Y388 HydrophobicContact CB-CD2 4.1Å; D384-Y388 PolarHBondContact O-N 3.14Å
385T83.3Confident88.8Confident96 Ų9659.4 Ų59.459%0.58931%0.312SS*.Hα-helixtrans-64.2-24.9-177.251.40000112.4R383 H389R383-T385 VanDerWaalsContact C-N 3.26Å; R383-T385 PolarHBondContact O-N 2.72Å; T385-H389 WeakPolarHBondContact O-CB 3.32Å; T385-H389 PolarHBondContact O-N 3Å
386E84.7Confident88.5Confident182 Ų18262.3 Ų62.385%0.8533%0.333SS*.Hα-helixtrans-69.3-41.1179-63.1-173.4175.900111.1D384D384-E386 PolarHBondContact O-N 3.28Å; D384-E386 PolarHBondContact OD1-N 2.96Å
387L84.1Confident88.5Confident80 Ų8060.6 Ų60.642%0.41932%0.32SS..Hα-helixtrans-90.9-31.3-175.7-63.3-176.6000114.3D384D384-L387 PolarHBondContact O-N 3.26Å; D384-L387 PolarHBondContact OD1-N 3.31Å; D384-L387 VanDerWaalsContact OD2-CD1 3.29Å; D384-L387 WeakPolarHBondContact OD2-CD1 3.4Å
388Y86.3Confident88.5Confident10 Ų1057.5 Ų57.54%0.03931%0.306CS..Hα-helixtrans-113.1-7.3-168-68.9-96.9000115Q256 L260 S381 D384 E390 L391Q256-Y388 HydrophobicContact CB-CD1 4.17Å; Q256-Y388 HydrophobicContact CB-CE1 3.62Å; Q256-Y388 HydrophobicContact CG-CD1 4.43Å; Q256-Y388 HydrophobicContact CG-CE1 3.95Å; Q256-Y388 HydrophobicContact CG-CE2 4.19Å; L260-Y388 HydrophobicContact CD1-CD1 3.87Å; L260-Y388 HydrophobicContact CD1-CE1 3.99Å; L260-Y388 HydrophobicContact CD2-CE1 4.23Å; L260-Y388 HydrophobicContact CG-CD1 4.25Å; L260-Y388 HydrophobicContact CG-CE1 3.88Å; S381-Y388 WeakPolarHBondContact O-CD2 3.44Å; S381-Y388 WeakPolarHBondContact O-CE2 3.35Å; S381-Y388 VanDerWaalsContact O-CG 3.26Å; D384-Y388 HydrophobicContact CB-CD2 4.1Å; D384-Y388 PolarHBondContact O-N 3.14Å; Y388-E390 VanDerWaalsContact C-N 3.32Å; Y388-E390 PolarHBondContact O-N 3.34Å; Y388-L391 HydrophobicContact CD1-CD1 3.73Å; Y388-L391 HydrophobicContact CE1-CD1 4.39Å; Y388-L391 WeakPolarHBondContact O-CB 2.89Å; Y388-L391 PolarHBondContact O-N 3.23Å
389H83Confident88.5Confident145 Ų14558.2 Ų58.267%0.67131%0.309SS*.G310 helixtrans-57.2-40.1-176.5170.3-91000113.5T385 L391 Q392T385-H389 WeakPolarHBondContact O-CB 3.32Å; T385-H389 PolarHBondContact O-N 3Å; H389-L391 PolarHBondContact O-N 3.48Å; H389-L391 VanDerWaalsContact O-N 3.16Å; H389-Q392 PolarHBondContact O-N 2.86Å; H389-Q392 VanDerWaalsContact O-N 3.13Å
390E82.2Confident88.3Confident88 Ų8860.3 Ų60.341%0.41132%0.32SS..G310 helixtrans-66.7-15.4-179.7-70.7-170.8-141.500113.9K252 F253 Y388 Q392K252-E390 IonicContact NZ-OE1 3.55Å; K252-E390 PolarHBondContact NZ-OE1 3.1Å; K252-E390 IonicContact NZ-OE2 2.62Å; K252-E390 PolarHBondContact NZ-OE2 3.28Å; F253-E390 HydrophobicContact CE1-CB 4.21Å; F253-E390 HydrophobicContact CE2-CB 4.11Å; F253-E390 WeakPolarHBondContact CE2-OE2 3.49Å; F253-E390 HydrophobicContact CZ-CB 3.66Å; F253-E390 HydrophobicContact CZ-CG 4.02Å; F253-E390 WeakPolarHBondContact CZ-OE2 3.38Å; Y388-E390 VanDerWaalsContact C-N 3.32Å; Y388-E390 PolarHBondContact O-N 3.34Å; E390-Q392 VanDerWaalsContact C-N 3.27Å; E390-Q392 PolarHBondContact O-N 3.44Å
391L84.2Confident88.5Confident0 Ų058.2 Ų58.20%030%0.299CS..G310 helixtrans-79.2-10176.4-53.9-174.7000113.1F253 Q256 L257 L260 Y388 H389 I393 R570F253-L391 HydrophobicContact CB-CD2 4.26Å; F253-L391 HydrophobicContact CG-CD2 4.23Å; Q256-L391 HydrophobicContact CB-CD1 4.27Å; L257-L391 HydrophobicContact CD2-CD1 4.35Å; L257-L391 HydrophobicContact CD2-CD2 3.82Å; L257-L391 HydrophobicContact CG-CD2 4.32Å; L260-L391 HydrophobicContact CD1-CD1 3.53Å; Y388-L391 HydrophobicContact CD1-CD1 3.73Å; Y388-L391 HydrophobicContact CE1-CD1 4.39Å; Y388-L391 WeakPolarHBondContact O-CB 2.89Å; Y388-L391 PolarHBondContact O-N 3.23Å; H389-L391 PolarHBondContact O-N 3.48Å; H389-L391 VanDerWaalsContact O-N 3.16Å; L391-I393 VanDerWaalsContact C-N 3.27Å; L391-I393 PolarHBondContact O-N 3.31Å; L391-R570 HydrophobicContact CD2-CB 4.28Å; L391-R570 WeakPolarHBondContact CD2-O 3.27Å; L391-R570 WeakPolarHBondContact O-CG 3.1Å
392Q84.8Confident88.6Confident131 Ų13158.6 Ų58.661%0.61230%0.3SS*.  trans58.431.6173.8-56.7176.41.500114.7H389 E390H389-Q392 PolarHBondContact O-N 2.86Å; H389-Q392 VanDerWaalsContact O-N 3.13Å; E390-Q392 VanDerWaalsContact C-N 3.27Å; E390-Q392 PolarHBondContact O-N 3.44Å
393I88.6Confident88.6Confident17 Ų1759.5 Ų59.59%0.08730%0.303CS..  trans-103.5111.3174.3-55.2172000108.3F190 L260 L382 L391 L559F190-I393 HydrophobicContact CE2-CD1 4.14Å; F190-I393 HydrophobicContact CZ-CD1 3.69Å; L260-I393 HydrophobicContact CD1-CD1 4.07Å; L382-I393 HydrophobicContact CD1-CB 4.44Å; L382-I393 HydrophobicContact CD1-CG2 3.69Å; L382-I393 HydrophobicContact CD2-CB 3.75Å; L382-I393 HydrophobicContact CD2-CD1 4.46Å; L382-I393 HydrophobicContact CD2-CG2 3.9Å; L382-I393 HydrophobicContact CG-CG2 4.46Å; L391-I393 VanDerWaalsContact C-N 3.27Å; L391-I393 PolarHBondContact O-N 3.31Å; I393-L559 HydrophobicContact CG2-CD1 4.23Å
394P89.6Confident88.6Confident65 Ų6553.7 Ų53.742%0.42228%0.281SS..  trans-71.4137.4-178.627.2-31.6000110.5S396 T397P394-S396 PolarHBondContact O-N 3.14Å; P394-T397 HydrophobicContact CG-CG2 3.89Å; P394-T397 PolarHBondContact O-N 2.85Å; P394-T397 PolarHBondContact O-OG1 3.35Å
395P91.3Very high88.9Confident50 Ų5050.8 Ų50.833%0.32527%0.266SS..Hα-helixtrans-56.4-24.1179.1-26.333.6000114.5L379 L382 R383 T397 A398 L399L379-P395 HydrophobicContact CD1-CB 4.06Å; L382-P395 HydrophobicContact CB-CB 4.38Å; L382-P395 HydrophobicContact CB-CG 4.23Å; R383-P395 HydrophobicContact CG-CB 4.48Å; P395-T397 PolarHBondContact O-N 3.42Å; P395-A398 PolarHBondContact O-N 3.3Å; P395-L399 PolarHBondContact O-N 3.25Å; P395-L399 VanDerWaalsContact O-N 3.1Å
396S89.5Confident89.3Confident61 Ų6146.3 Ų46.343%0.42724%0.239SC..Hα-helixtrans-58.9-30175.656.30000113.2P394 L399 N400P394-S396 PolarHBondContact O-N 3.14Å; S396-L399 PolarHBondContact O-N 3.38Å; S396-N400 WeakPolarHBondContact O-CB 3.47Å; S396-N400 PolarHBondContact O-N 3.19Å; S396-N400 PolarHBondContact O-ND2 3.18Å
397T91.8Very high89.6Confident21 Ų2138.6 Ų38.613%0.12920%0.203CC..Hα-helixtrans-63.8-48177.153.40000111.9P394 P395 L399 L401P394-T397 HydrophobicContact CG-CG2 3.89Å; P394-T397 PolarHBondContact O-N 2.85Å; P394-T397 PolarHBondContact O-OG1 3.35Å; P395-T397 PolarHBondContact O-N 3.42Å; T397-L399 VanDerWaalsContact C-N 3.33Å; T397-L401 PolarHBondContact O-N 3.48Å
398A93.1Very high90.1Very high0 Ų034.8 Ų34.80%018%0.183CC..Hα-helixtrans-66.1-37.9175.300000111.3V375 V378 L379 L382 P395 L401 L402 L559V375-A398 HydrophobicContact CG1-CB 4.17Å; V375-A398 WeakPolarHBondContact CG1-O 3.24Å; V378-A398 HydrophobicContact CG1-CB 4.28Å; L379-A398 HydrophobicContact CB-CB 3.99Å; L379-A398 HydrophobicContact CD1-CB 4.22Å; L382-A398 HydrophobicContact CD1-CB 4.03Å; P395-A398 PolarHBondContact O-N 3.3Å; A398-L401 PolarHBondContact O-N 2.92Å; A398-L402 WeakPolarHBondContact O-CG 3.49Å; A398-L402 PolarHBondContact O-N 3.13Å; A398-L559 HydrophobicContact CB-CD1 4.4Å
399L92.2Very high90.4Very high19 Ų1935.8 Ų35.810%0.09919%0.189CC..Hα-helixtrans-63.5-44177.5-174.265.3000112.7L379 P395 S396 T397 L401 L402 R403 D533L379-L399 HydrophobicContact CD2-CD1 4.45Å; P395-L399 PolarHBondContact O-N 3.25Å; P395-L399 VanDerWaalsContact O-N 3.1Å; S396-L399 PolarHBondContact O-N 3.38Å; T397-L399 VanDerWaalsContact C-N 3.33Å; L399-L401 VanDerWaalsContact C-N 3.29Å; L399-L401 PolarHBondContact O-N 3.37Å; L399-L402 WeakPolarHBondContact O-CB 3.4Å; L399-L402 PolarHBondContact O-N 2.89Å; L399-R403 WeakPolarHBondContact O-CG 3.34Å; L399-R403 PolarHBondContact O-N 3.42Å; L399-D533 HydrophobicContact CD1-CB 3.77Å; L399-D533 WeakPolarHBondContact CD1-OD1 3.43Å; L399-D533 WeakPolarHBondContact CD2-OD1 3.43Å
400N91.1Very high90.7Very high58 Ų5831.3 Ų31.331%0.3117%0.168SC..Hα-helixtrans-63.3-37.7177.4-72.5-13.2000111.9S396 R403 T404S396-N400 WeakPolarHBondContact O-CB 3.47Å; S396-N400 PolarHBondContact O-N 3.19Å; S396-N400 PolarHBondContact O-ND2 3.18Å; N400-R403 PolarHBondContact O-N 2.82Å; N400-T404 WeakPolarHBondContact O-CB 3.26Å; N400-T404 PolarHBondContact O-N 3.37Å; N400-T404 PolarHBondContact O-OG1 3.27Å
401L94.4Very high91.1Very high1 Ų127.2 Ų27.21%0.00515%0.149CC..Hα-helixtrans-65.8-45.7173.2-179.554.4000111.6V375 T397 A398 L399 R403 T404 I405 M552 E555 I556 L559V375-L401 HydrophobicContact CB-CD2 4.46Å; V375-L401 HydrophobicContact CG1-CB 4.11Å; V375-L401 HydrophobicContact CG1-CD2 3.97Å; V375-L401 HydrophobicContact CG1-CG 4.02Å; V375-L401 HydrophobicContact CG2-CD2 3.52Å; V375-L401 HydrophobicContact CG2-CG 3.92Å; T397-L401 PolarHBondContact O-N 3.48Å; A398-L401 PolarHBondContact O-N 2.92Å; L399-L401 VanDerWaalsContact C-N 3.29Å; L399-L401 PolarHBondContact O-N 3.37Å; L401-R403 VanDerWaalsContact C-N 3.34Å; L401-R403 PolarHBondContact O-N 3.39Å; L401-T404 PolarHBondContact O-N 2.9Å; L401-I405 HydrophobicContact CD1-CD1 4.07Å; L401-I405 HydrophobicContact CD1-CG1 4.23Å; L401-I405 HydrophobicContact CG-CD1 3.93Å; L401-I405 VanDerWaalsContact O-CG1 3.31Å; L401-I405 WeakPolarHBondContact O-CG1 3.44Å; L401-I405 PolarHBondContact O-N 2.91Å; L401-M552 HydrophobicContact CD1-CG 3.89Å; L401-E555 HydrophobicContact CB-CB 4Å; L401-E555 HydrophobicContact CD1-CB 3.93Å; L401-E555 HydrophobicContact CG-CB 4.49Å; L401-I556 HydrophobicContact CD1-CD1 4.47Å; L401-I556 HydrophobicContact CD1-CG1 3.75Å; L401-I556 HydrophobicContact CD2-CG1 3.78Å; L401-I556 HydrophobicContact CG-CG1 4.46Å; L401-L559 HydrophobicContact CD2-CD2 3.99Å
402L93.8Very high91.6Very high11 Ų1127.2 Ų27.26%0.05815%0.149CC..Hα-helixtrans-57.2-46.9174.3-74.4169.9000111.6L372 V375 L379 A398 L399 T404 I405 G406L372-L402 HydrophobicContact CD1-CD2 3.53Å; L372-L402 HydrophobicContact CG-CD2 4.31Å; V375-L402 HydrophobicContact CB-CD2 3.72Å; V375-L402 HydrophobicContact CB-CG 4.13Å; V375-L402 HydrophobicContact CG1-CD1 4.41Å; V375-L402 HydrophobicContact CG1-CD2 3.8Å; V375-L402 HydrophobicContact CG1-CG 3.6Å; L379-L402 HydrophobicContact CB-CD1 4.19Å; L379-L402 HydrophobicContact CD2-CD1 3.47Å; L379-L402 VanDerWaalsContact CD2-CD1 3.47Å; L379-L402 HydrophobicContact CG-CD1 4.43Å; A398-L402 WeakPolarHBondContact O-CG 3.49Å; A398-L402 PolarHBondContact O-N 3.13Å; L399-L402 WeakPolarHBondContact O-CB 3.4Å; L399-L402 PolarHBondContact O-N 2.89Å; L402-T404 VanDerWaalsContact C-N 3.34Å; L402-T404 PolarHBondContact O-N 3.29Å; L402-I405 PolarHBondContact O-N 2.83Å; L402-G406 PolarHBondContact O-N 3.14Å
403R90.8Very high91.8Very high28 Ų2825.4 Ų25.411%0.10614%0.141CC..Hα-helixtrans-55.1-51.7176.4-74.1173.7177.8179.7-2.1109.9L399 N400 L401 I405 G406 M407 E528 L531L399-R403 WeakPolarHBondContact O-CG 3.34Å; L399-R403 PolarHBondContact O-N 3.42Å; N400-R403 PolarHBondContact O-N 2.82Å; L401-R403 VanDerWaalsContact C-N 3.34Å; L401-R403 PolarHBondContact O-N 3.39Å; R403-I405 PolarHBondContact O-N 3.04Å; R403-G406 WeakPolarHBondContact O-CA 3.35Å; R403-G406 PolarHBondContact O-N 2.93Å; R403-G406 VanDerWaalsContact O-N 3.12Å; R403-M407 HydrophobicContact CB-CE 4.05Å; R403-M407 WeakPolarHBondContact O-CG 3.29Å; R403-M407 PolarHBondContact O-N 3.2Å; R403-E528 PolarHBondContact NH1-O 3.09Å; R403-L531 VanDerWaalsContact NH2-CB 3.34Å; R403-L531 PolarHBondContact NH2-O 2.95Å
404T92.8Very high91.8Very high1 Ų124.8 Ų24.81%0.00614%0.137CC..Hα-helixtrans-59.6-43.1179-59.10000112.9N400 L401 L402 G406 M407 T408 K551 M552N400-T404 WeakPolarHBondContact O-CB 3.26Å; N400-T404 PolarHBondContact O-N 3.37Å; N400-T404 PolarHBondContact O-OG1 3.27Å; L401-T404 PolarHBondContact O-N 2.9Å; L402-T404 VanDerWaalsContact C-N 3.34Å; L402-T404 PolarHBondContact O-N 3.29Å; T404-G406 VanDerWaalsContact C-N 3.32Å; T404-G406 PolarHBondContact O-N 3.03Å; T404-M407 PolarHBondContact O-N 3.03Å; T404-T408 WeakPolarHBondContact O-CB 3.35Å; T404-T408 PolarHBondContact O-N 2.68Å; T404-T408 PolarHBondContact O-OG1 3.09Å; T404-K551 HydrophobicContact CG2-CB 4.11Å; T404-K551 HydrophobicContact CG2-CD 4.05Å; T404-K551 HydrophobicContact CG2-CG 3.84Å; T404-K551 WeakPolarHBondContact OG1-CE 3.43Å; T404-M552 HydrophobicContact CG2-CB 4Å
405I94.9Very high91.9Very high3 Ų321.7 Ų21.72%0.01512%0.117CC..Hα-helixtrans-60-44.9174.5-68161000110.3L368 L371 L372 V375 L401 L402 R403 T408 L409 M552L368-I405 HydrophobicContact CB-CG2 4.4Å; L368-I405 HydrophobicContact CD2-CG2 4.26Å; L368-I405 WeakPolarHBondContact O-CG2 3.18Å; L371-I405 HydrophobicContact CB-CD1 3.82Å; L371-I405 HydrophobicContact CB-CG1 4.38Å; L372-I405 HydrophobicContact CB-CG2 4.14Å; L372-I405 HydrophobicContact CD1-CG2 4.19Å; V375-I405 HydrophobicContact CB-CD1 4.4Å; V375-I405 HydrophobicContact CG2-CD1 3.86Å; L401-I405 HydrophobicContact CD1-CD1 4.07Å; L401-I405 HydrophobicContact CD1-CG1 4.23Å; L401-I405 HydrophobicContact CG-CD1 3.93Å; L401-I405 VanDerWaalsContact O-CG1 3.31Å; L401-I405 WeakPolarHBondContact O-CG1 3.44Å; L401-I405 PolarHBondContact O-N 2.91Å; L402-I405 PolarHBondContact O-N 2.83Å; R403-I405 PolarHBondContact O-N 3.04Å; I405-T408 WeakPolarHBondContact O-CB 3.36Å; I405-T408 PolarHBondContact O-N 2.84Å; I405-L409 PolarHBondContact O-N 3.27Å; I405-M552 HydrophobicContact CG1-CE 3.86Å; I405-M552 HydrophobicContact CG1-SD 4.45Å
406G92.5Very high91.9Very high2 Ų220.5 Ų20.52%0.02111%0.107CC..Hα-helixtrans-61.1-44.9176.500000113.6L402 R403 T404 T408 L409 Q410 Y536L402-G406 PolarHBondContact O-N 3.14Å; R403-G406 WeakPolarHBondContact O-CA 3.35Å; R403-G406 PolarHBondContact O-N 2.93Å; R403-G406 VanDerWaalsContact O-N 3.12Å; T404-G406 VanDerWaalsContact C-N 3.32Å; T404-G406 PolarHBondContact O-N 3.03Å; G406-T408 VanDerWaalsContact C-N 3.28Å; G406-T408 PolarHBondContact O-N 3.41Å; G406-L409 PolarHBondContact O-N 2.88Å; G406-Q410 WeakPolarHBondContact O-CG 3.19Å; G406-Q410 PolarHBondContact O-N 2.9Å; G406-Y536 VanDerWaalsContact CA-CG 3.49Å
407M90.4Very high91.8Very high19 Ų1920.8 Ų20.89%0.09410%0.104CC..Hα-helixtrans-60.5-41.2174.1-42.9-168.8-167.500110.9R403 T404 L409 Q410 K411 H537 L547R403-M407 HydrophobicContact CB-CE 4.05Å; R403-M407 WeakPolarHBondContact O-CG 3.29Å; R403-M407 PolarHBondContact O-N 3.2Å; T404-M407 PolarHBondContact O-N 3.03Å; M407-L409 VanDerWaalsContact C-N 3.34Å; M407-L409 PolarHBondContact O-N 2.9Å; M407-Q410 PolarHBondContact O-N 2.93Å; M407-K411 WeakPolarHBondContact O-CB 3.16Å; M407-K411 PolarHBondContact O-N 3.23Å; M407-H537 HydrophobicContact CE-CB 3.99Å; M407-H537 WeakPolarHBondContact CG-O 3.44Å; M407-H537 HydrophobicContact SD-CB 4.44Å; M407-L547 HydrophobicContact CB-CD1 4.38Å; M407-L547 HydrophobicContact CB-CD2 4.34Å
408T94.5Very high91.7Very high0 Ų019.8 Ų19.80%010%0.098CC..Hα-helixtrans-64.7-39.9179.8-520000111.3L368 T404 I405 G406 K411 T412 L544 L547 I548 M552L368-T408 HydrophobicContact CD1-CG2 3.9Å; L368-T408 HydrophobicContact CD2-CG2 3.78Å; T404-T408 WeakPolarHBondContact O-CB 3.35Å; T404-T408 PolarHBondContact O-N 2.68Å; T404-T408 PolarHBondContact O-OG1 3.09Å; I405-T408 WeakPolarHBondContact O-CB 3.36Å; I405-T408 PolarHBondContact O-N 2.84Å; G406-T408 VanDerWaalsContact C-N 3.28Å; G406-T408 PolarHBondContact O-N 3.41Å; T408-K411 PolarHBondContact O-N 3.41Å; T408-T412 WeakPolarHBondContact O-CB 3.27Å; T408-T412 PolarHBondContact O-N 3.44Å; T408-T412 PolarHBondContact O-OG1 2.76Å; T408-L544 HydrophobicContact CG2-CD1 3.63Å; T408-L547 HydrophobicContact CG2-CB 4.44Å; T408-I548 HydrophobicContact CG2-CD1 3.98Å; T408-I548 HydrophobicContact CG2-CG1 3.51Å; T408-M552 HydrophobicContact CG2-CE 4.22Å
409L93.5Very high91.5Very high31 Ų3119.8 Ų19.816%0.16210%0.098CC..Hα-helixtrans-63.7-46176.4-174.166.3000111.2Q365 L368 I405 G406 M407 K411 T412 Q413Q365-L409 HydrophobicContact CB-CD1 4.19Å; Q365-L409 HydrophobicContact CG-CD1 3.86Å; L368-L409 HydrophobicContact CB-CD1 4.27Å; L368-L409 HydrophobicContact CD1-CB 4.29Å; L368-L409 HydrophobicContact CD1-CD1 4.14Å; I405-L409 PolarHBondContact O-N 3.27Å; G406-L409 PolarHBondContact O-N 2.88Å; M407-L409 VanDerWaalsContact C-N 3.34Å; M407-L409 PolarHBondContact O-N 2.9Å; L409-K411 VanDerWaalsContact C-N 3.35Å; L409-K411 PolarHBondContact O-N 2.97Å; L409-T412 PolarHBondContact O-N 2.99Å; L409-Q413 WeakPolarHBondContact O-CG 3.42Å; L409-Q413 PolarHBondContact O-N 2.81Å
410Q88.6Confident91.3Very high51 Ų5122.7 Ų22.724%0.23811%0.111CC..Hα-helixtrans-60.3-44.1174.6-69.1179.51.900111.5G406 M407 T412 Q413 E414 Y536 Y538G406-Q410 WeakPolarHBondContact O-CG 3.19Å; G406-Q410 PolarHBondContact O-N 2.9Å; M407-Q410 PolarHBondContact O-N 2.93Å; Q410-T412 VanDerWaalsContact C-N 3.33Å; Q410-T412 PolarHBondContact O-N 2.79Å; Q410-Q413 WeakPolarHBondContact O-CB 3.36Å; Q410-Q413 PolarHBondContact O-N 2.63Å; Q410-E414 PolarHBondContact O-N 3.31Å; Q410-Y536 PolarHBondContact NE2-O 3.37Å; Q410-Y538 HydrophobicContact CB-CD2 4.44Å
411K91.1Very high91Very high3 Ų322.6 Ų22.61%0.01311%0.107CC..Hα-helixtrans-67.4-33179.5-161.163.1178.6178.30112.8M407 T408 L409 E414 L415 Y488 S540 T542 L544 L547M407-K411 WeakPolarHBondContact O-CB 3.16Å; M407-K411 PolarHBondContact O-N 3.23Å; T408-K411 PolarHBondContact O-N 3.41Å; L409-K411 VanDerWaalsContact C-N 3.35Å; L409-K411 PolarHBondContact O-N 2.97Å; K411-E414 WeakPolarHBondContact CD-OE2 3.46Å; K411-E414 WeakPolarHBondContact CE-OE2 3.27Å; K411-E414 VanDerWaalsContact NZ-CD 3.25Å; K411-E414 IonicContact NZ-OE1 2.8Å; K411-E414 PolarHBondContact NZ-OE1 2.84Å; K411-E414 IonicContact NZ-OE2 2.92Å; K411-E414 PolarHBondContact NZ-OE2 3.03Å; K411-E414 WeakPolarHBondContact O-CB 3.5Å; K411-E414 PolarHBondContact O-N 3.36Å; K411-L415 PolarHBondContact O-N 2.98Å; K411-Y488 HydrophobicContact CD-CD1 4.18Å; K411-Y488 HydrophobicContact CD-CE1 4.05Å; K411-Y488 VanDerWaalsContact CE-CD1 3.48Å; K411-Y488 HydrophobicContact CG-CD1 4.26Å; K411-S540 PolarHBondContact NZ-O 3.18Å; K411-T542 WeakPolarHBondContact CE-O 3.46Å; K411-L544 HydrophobicContact CB-CD1 4.24Å; K411-L544 HydrophobicContact CG-CB 4.41Å; K411-L544 HydrophobicContact CG-CD1 4.46Å; K411-L547 HydrophobicContact CB-CD1 3.99Å; K411-L547 HydrophobicContact CG-CD1 4.28Å
412T93.3Very high90.7Very high0 Ų022.9 Ų22.90%011%0.109CC..Hα-helixtrans-65.9-40.6172.9-56.80000111.4C360 I364 Q365 T408 L409 Q410 L415 Q416C360-T412 HydrophobicContact CB-CG2 4.05Å; I364-T412 HydrophobicContact CB-CG2 4.27Å; I364-T412 HydrophobicContact CG2-CG2 3.73Å; Q365-T412 HydrophobicContact CG-CG2 4.07Å; T408-T412 WeakPolarHBondContact O-CB 3.27Å; T408-T412 PolarHBondContact O-N 3.44Å; T408-T412 PolarHBondContact O-OG1 2.76Å; L409-T412 PolarHBondContact O-N 2.99Å; Q410-T412 VanDerWaalsContact C-N 3.33Å; Q410-T412 PolarHBondContact O-N 2.79Å; T412-L415 PolarHBondContact O-N 2.93Å; T412-Q416 WeakPolarHBondContact O-CG 3.28Å; T412-Q416 PolarHBondContact O-N 3.4Å; T412-Q416 VanDerWaalsContact O-N 3.11Å
413Q90.1Very high90.5Very high93 Ų9322.6 Ų22.644%0.43511%0.108SC..Hα-helixtrans-66.8-40.1174.7-70.7175.6-7.700111.9L409 Q410 L415 Q416 L417L409-Q413 WeakPolarHBondContact O-CG 3.42Å; L409-Q413 PolarHBondContact O-N 2.81Å; Q410-Q413 WeakPolarHBondContact O-CB 3.36Å; Q410-Q413 PolarHBondContact O-N 2.63Å; Q413-L415 VanDerWaalsContact C-N 3.34Å; Q413-L415 PolarHBondContact O-N 2.79Å; Q413-Q416 WeakPolarHBondContact O-CB 3.32Å; Q413-Q416 PolarHBondContact O-N 3.19Å; Q413-L417 WeakPolarHBondContact O-CG 3.42Å; Q413-L417 PolarHBondContact O-N 3.05Å; Q413-L417 VanDerWaalsContact O-N 3.12Å
414E88.5Confident90.4Very high4 Ų424.4 Ų24.42%0.01912%0.122CC..Hα-helixtrans-57.7-47.6173.2-172-173.616000111.4Q410 K411 Q416 L417 V418 Y488 L498 Y538Q410-E414 PolarHBondContact O-N 3.31Å; K411-E414 WeakPolarHBondContact CD-OE2 3.46Å; K411-E414 WeakPolarHBondContact CE-OE2 3.27Å; K411-E414 VanDerWaalsContact NZ-CD 3.25Å; K411-E414 IonicContact NZ-OE1 2.8Å; K411-E414 PolarHBondContact NZ-OE1 2.84Å; K411-E414 IonicContact NZ-OE2 2.92Å; K411-E414 PolarHBondContact NZ-OE2 3.03Å; K411-E414 WeakPolarHBondContact O-CB 3.5Å; K411-E414 PolarHBondContact O-N 3.36Å; E414-Q416 VanDerWaalsContact C-N 3.3Å; E414-Q416 PolarHBondContact O-N 3.48Å; E414-L417 PolarHBondContact O-N 3.26Å; E414-L417 VanDerWaalsContact O-N 3.13Å; E414-V418 WeakPolarHBondContact O-CG2 3.45Å; E414-V418 PolarHBondContact O-N 2.69Å; E414-Y488 HydrophobicContact CB-CE1 4.43Å; E414-Y488 HydrophobicContact CG-CE1 4.03Å; E414-Y488 PolarHBondContact OE1-OH 3.15Å; E414-L498 HydrophobicContact CG-CB 3.59Å; E414-L498 HydrophobicContact CG-CD2 4.32Å; E414-L498 PolarHBondContact OE1-N 3.07Å; E414-L498 VanDerWaalsContact OE1-N 3.15Å; E414-Y538 PolarHBondContact OE1-OH 3.5Å; E414-Y538 VanDerWaalsContact OE2-CE2 3.25Å; E414-Y538 WeakPolarHBondContact OE2-CE2 3.36Å; E414-Y538 VanDerWaalsContact OE2-CZ 3.32Å; E414-Y538 PolarHBondContact OE2-OH 3.08Å
415L91.5Very high90.2Very high0 Ų024.6 Ų24.60%012%0.123CC..Hα-helixtrans-58.4-41.3176.7176.258.7000112K411 T412 Q413 L417 V418 I419 V485 Y488 L544K411-L415 PolarHBondContact O-N 2.98Å; T412-L415 PolarHBondContact O-N 2.93Å; Q413-L415 VanDerWaalsContact C-N 3.34Å; Q413-L415 PolarHBondContact O-N 2.79Å; L415-L417 VanDerWaalsContact C-N 3.34Å; L415-L417 PolarHBondContact O-N 3.11Å; L415-V418 PolarHBondContact O-N 3.05Å; L415-I419 HydrophobicContact CD1-CD1 3.98Å; L415-I419 HydrophobicContact CD1-CG1 4.17Å; L415-I419 HydrophobicContact CG-CD1 3.89Å; L415-I419 WeakPolarHBondContact O-CB 3.29Å; L415-I419 VanDerWaalsContact O-CG1 3.29Å; L415-I419 WeakPolarHBondContact O-CG1 3.36Å; L415-I419 PolarHBondContact O-N 3.13Å; L415-V485 HydrophobicContact CD1-CB 4.46Å; L415-V485 HydrophobicContact CD1-CG1 4.18Å; L415-V485 HydrophobicContact CD1-CG2 4.23Å; L415-Y488 HydrophobicContact CB-CD1 4.13Å; L415-Y488 HydrophobicContact CB-CG 4.43Å; L415-Y488 HydrophobicContact CD1-CD1 4.43Å; L415-Y488 HydrophobicContact CD1-CD2 3.98Å; L415-Y488 HydrophobicContact CD1-CG 3.91Å; L415-L544 HydrophobicContact CD2-CD2 4.01Å
416Q91.2Very high90Very high25 Ų2524.5 Ų24.512%0.11712%0.123CC..Hα-helixtrans-59.8-43.4175.5-73.8173.5-3.500112.3C360 Q365 T412 Q413 E414 I419 E420C360-Q416 VanDerWaalsContact C-NE2 3.27Å; C360-Q416 HydrophobicContact CB-CG 3.87Å; Q365-Q416 VanDerWaalsContact NE2-OE1 3.11Å; T412-Q416 WeakPolarHBondContact O-CG 3.28Å; T412-Q416 PolarHBondContact O-N 3.4Å; T412-Q416 VanDerWaalsContact O-N 3.11Å; Q413-Q416 WeakPolarHBondContact O-CB 3.32Å; Q413-Q416 PolarHBondContact O-N 3.19Å; E414-Q416 VanDerWaalsContact C-N 3.3Å; E414-Q416 PolarHBondContact O-N 3.48Å; Q416-I419 WeakPolarHBondContact O-CB 3.35Å; Q416-I419 PolarHBondContact O-N 3.15Å; Q416-E420 WeakPolarHBondContact O-CG 3.28Å; Q416-E420 PolarHBondContact O-N 2.79Å
417L88.6Confident89.9Confident67 Ų6730.3 Ų30.335%0.35114%0.144SC..Hα-helixtrans-66.9-39.8178.2-66.7171.9000111.8Q413 E414 L415 I419 E420 K421 L498Q413-L417 WeakPolarHBondContact O-CG 3.42Å; Q413-L417 PolarHBondContact O-N 3.05Å; Q413-L417 VanDerWaalsContact O-N 3.12Å; E414-L417 PolarHBondContact O-N 3.26Å; E414-L417 VanDerWaalsContact O-N 3.13Å; L415-L417 VanDerWaalsContact C-N 3.34Å; L415-L417 PolarHBondContact O-N 3.11Å; L417-I419 VanDerWaalsContact C-N 3.33Å; L417-I419 PolarHBondContact O-N 3.35Å; L417-E420 PolarHBondContact O-N 2.65Å; L417-K421 PolarHBondContact O-N 3.14Å; L417-K421 VanDerWaalsContact O-N 3.07Å; L417-L498 HydrophobicContact CB-CD1 4.08Å; L417-L498 HydrophobicContact CB-CD2 3.87Å; L417-L498 HydrophobicContact CD1-CD2 3.54Å; L417-L498 HydrophobicContact CG-CD2 4.36Å
418V88.3Confident90Very high0 Ų029.5 Ų29.50%014%0.14CC..Hα-helixtrans-62.3-41.7173.7171.10000111.2E414 L415 K421 S422 L484 Y488 L498E414-V418 WeakPolarHBondContact O-CG2 3.45Å; E414-V418 PolarHBondContact O-N 2.69Å; L415-V418 PolarHBondContact O-N 3.05Å; V418-K421 PolarHBondContact O-N 2.79Å; V418-S422 WeakPolarHBondContact O-CB 3.42Å; V418-S422 PolarHBondContact O-N 2.63Å; V418-S422 PolarHBondContact O-OG 2.76Å; V418-L484 HydrophobicContact CG1-CB 3.6Å; V418-L484 HydrophobicContact CG1-CD1 4.25Å; V418-Y488 HydrophobicContact CG1-CE2 4.34Å; V418-Y488 HydrophobicContact CG2-CE2 4.27Å; V418-Y488 WeakPolarHBondContact CG2-OH 3.32Å; V418-L498 HydrophobicContact CG2-CB 4.3Å; V418-L498 HydrophobicContact CG2-CD1 3.99Å
419I89.3Confident89.9Confident0 Ų029.6 Ų29.60%014%0.141CC..Hα-helixtrans-61.3-48.6174.7-75.3165.4000110.5Y353 I356 K357 L415 Q416 L417 K421 S422 L423 V485Y353-I419 HydrophobicContact CD1-CB 4.29Å; Y353-I419 HydrophobicContact CD1-CG1 4.07Å; Y353-I419 HydrophobicContact CD1-CG2 3.77Å; Y353-I419 HydrophobicContact CE1-CG1 4.28Å; I356-I419 HydrophobicContact CB-CD1 4.37Å; I356-I419 HydrophobicContact CG2-CD1 3.54Å; K357-I419 HydrophobicContact CB-CG2 4.07Å; L415-I419 HydrophobicContact CD1-CD1 3.98Å; L415-I419 HydrophobicContact CD1-CG1 4.17Å; L415-I419 HydrophobicContact CG-CD1 3.89Å; L415-I419 WeakPolarHBondContact O-CB 3.29Å; L415-I419 VanDerWaalsContact O-CG1 3.29Å; L415-I419 WeakPolarHBondContact O-CG1 3.36Å; L415-I419 PolarHBondContact O-N 3.13Å; Q416-I419 WeakPolarHBondContact O-CB 3.35Å; Q416-I419 PolarHBondContact O-N 3.15Å; L417-I419 VanDerWaalsContact C-N 3.33Å; L417-I419 PolarHBondContact O-N 3.35Å; I419-K421 VanDerWaalsContact C-N 3.3Å; I419-K421 PolarHBondContact O-N 3.47Å; I419-S422 PolarHBondContact O-N 3.26Å; I419-L423 WeakPolarHBondContact O-CB 3.28Å; I419-L423 PolarHBondContact O-N 3.33Å; I419-V485 HydrophobicContact CD1-CG2 4.47Å; I419-V485 HydrophobicContact CG1-CG2 3.82Å
420E88.5Confident89.9Confident80 Ų8028.9 Ų28.937%0.37414%0.136SC..Hα-helixtrans-58.1-42.1179.5-75.1-178.1165.900112.7K357 Q416 L417 T424K357-E420 HydrophobicContact CD-CG 4.34Å; K357-E420 WeakPolarHBondContact CE-OE1 3.34Å; K357-E420 IonicContact NZ-OE1 2.83Å; K357-E420 PolarHBondContact NZ-OE1 3.33Å; Q416-E420 WeakPolarHBondContact O-CG 3.28Å; Q416-E420 PolarHBondContact O-N 2.79Å; L417-E420 PolarHBondContact O-N 2.65Å; E420-T424 PolarHBondContact O-N 2.97Å; E420-T424 VanDerWaalsContact O-N 3.16Å; E420-T424 PolarHBondContact O-OG1 3.41Å
421K85.4Confident90Very high56 Ų5629.3 Ų29.324%0.24314%0.138CC..Hα-helixtrans-65.6-48.3175.6-167.2-168.1176.2-164.80111.6L417 V418 I419 L423 T424 Q425 V501L417-K421 PolarHBondContact O-N 3.14Å; L417-K421 VanDerWaalsContact O-N 3.07Å; V418-K421 PolarHBondContact O-N 2.79Å; I419-K421 VanDerWaalsContact C-N 3.3Å; I419-K421 PolarHBondContact O-N 3.47Å; K421-L423 VanDerWaalsContact C-N 3.27Å; K421-L423 PolarHBondContact O-N 3.34Å; K421-T424 PolarHBondContact O-N 2.63Å; K421-Q425 PolarHBondContact O-N 3.39Å; K421-Q425 VanDerWaalsContact O-N 3.09Å; K421-V501 HydrophobicContact CD-CG1 3.27Å; K421-V501 PolarHBondContact NZ-O 2.9Å
422S87.5Confident90.2Very high6 Ų630.4 Ų30.44%0.04214%0.142CC..Hα-helixtrans-60.4-39.7-179.5-57.10000111.2V418 I419 T424 Q425 L426V418-S422 WeakPolarHBondContact O-CB 3.42Å; V418-S422 PolarHBondContact O-N 2.63Å; V418-S422 PolarHBondContact O-OG 2.76Å; I419-S422 PolarHBondContact O-N 3.26Å; S422-T424 PolarHBondContact O-N 2.87Å; S422-Q425 PolarHBondContact O-N 3.29Å; S422-L426 WeakPolarHBondContact O-CB 3.5Å; S422-L426 VanDerWaalsContact O-CG 3.29Å; S422-L426 WeakPolarHBondContact O-CG 3.44Å; S422-L426 PolarHBondContact O-N 2.87Å
423L89Confident90.1Very high5 Ų530.5 Ų30.53%0.02614%0.142CC..Hα-helixtrans-65.5-41.2179.2-155.6164.7000111.3L350 E354 I419 K421 L426 R427L350-L423 HydrophobicContact CD2-CD2 3.99Å; L350-L423 HydrophobicContact CD2-CG 4.2Å; E354-L423 HydrophobicContact CG-CD1 3.97Å; E354-L423 WeakPolarHBondContact OE1-CD1 2.82Å; I419-L423 WeakPolarHBondContact O-CB 3.28Å; I419-L423 PolarHBondContact O-N 3.33Å; K421-L423 VanDerWaalsContact C-N 3.27Å; K421-L423 PolarHBondContact O-N 3.34Å; L423-L426 PolarHBondContact O-N 2.99Å; L423-R427 HydrophobicContact CD2-CG 4Å; L423-R427 WeakPolarHBondContact O-CB 3.45Å; L423-R427 WeakPolarHBondContact O-CG 3.21Å; L423-R427 PolarHBondContact O-N 2.73Å
424T88.9Confident90.2Very high67 Ų6729.3 Ų29.341%0.41113%0.134SC..Hα-helixtrans-62.7-42.9175.7-56.50000111.6E420 K421 S422 A428 L459E420-T424 PolarHBondContact O-N 2.97Å; E420-T424 VanDerWaalsContact O-N 3.16Å; E420-T424 PolarHBondContact O-OG1 3.41Å; K421-T424 PolarHBondContact O-N 2.63Å; S422-T424 PolarHBondContact O-N 2.87Å; T424-A428 PolarHBondContact O-N 3.43Å; T424-L459 HydrophobicContact CG2-CD1 3.72Å; T424-L459 HydrophobicContact CG2-CD2 4.35Å
425Q88.8Confident90.2Very high4 Ų429.5 Ų29.52%0.01914%0.137CC..Hα-helixtrans-65.8-47.2175.3-74.8178.6-26.400112.5K421 S422 R427 A428 F429 L459 F463K421-Q425 PolarHBondContact O-N 3.39Å; K421-Q425 VanDerWaalsContact O-N 3.09Å; S422-Q425 PolarHBondContact O-N 3.29Å; Q425-R427 PolarHBondContact O-N 2.83Å; Q425-A428 PolarHBondContact O-N 2.81Å; Q425-F429 WeakPolarHBondContact O-CB 3.22Å; Q425-F429 PolarHBondContact O-N 3.43Å; Q425-L459 HydrophobicContact CG-CD2 4.32Å; Q425-F463 HydrophobicContact CB-CB 4.16Å; Q425-F463 HydrophobicContact CB-CD2 4.17Å
426L89.9Confident90.1Very high2 Ų229.8 Ų29.81%0.0114%0.139CC..Hα-helixtrans-64-39.6-179.9-76.3168.5000112.3M292 T349 L350 Y353 S422 L423 A428 F429 F430 F463M292-L426 HydrophobicContact CE-CD2 4.08Å; T349-L426 HydrophobicContact CG2-CD1 4.2Å; L350-L426 HydrophobicContact CD2-CB 4.31Å; Y353-L426 HydrophobicContact CD2-CD1 3.97Å; Y353-L426 HydrophobicContact CE2-CD1 3.36Å; S422-L426 WeakPolarHBondContact O-CB 3.5Å; S422-L426 VanDerWaalsContact O-CG 3.29Å; S422-L426 WeakPolarHBondContact O-CG 3.44Å; S422-L426 PolarHBondContact O-N 2.87Å; L423-L426 PolarHBondContact O-N 2.99Å; L426-A428 VanDerWaalsContact C-N 3.34Å; L426-A428 PolarHBondContact O-N 3.23Å; L426-F429 PolarHBondContact O-N 2.9Å; L426-F430 HydrophobicContact CB-CD2 4.36Å; L426-F430 HydrophobicContact CB-CE2 4.28Å; L426-F430 HydrophobicContact CD2-CE2 4.13Å; L426-F430 WeakPolarHBondContact O-CD2 3.19Å; L426-F430 PolarHBondContact O-N 2.94Å; L426-F463 HydrophobicContact CD2-CD2 4.38Å; L426-F463 HydrophobicContact CD2-CE2 3.55Å; L426-F463 HydrophobicContact CD2-CZ 3.67Å; L426-F463 HydrophobicContact CG-CE2 4.15Å
427R91.8Very high90Very high123 Ų12328.8 Ų28.846%0.46414%0.135SC..Hα-helixtrans-57.7-47.4174.3-79.9179.4-178.3143.34.3111.3L350 E354 L423 Q425 K431L350-R427 HydrophobicContact CD1-CG 3.88Å; L350-R427 HydrophobicContact CD2-CG 3.6Å; L350-R427 HydrophobicContact CG-CG 4.41Å; E354-R427 IonicContact OE1-CZ 2.79Å; E354-R427 IonicContact OE1-NH2 3.82Å; E354-R427 PolarHBondContact OE1-NH2 3Å; L423-R427 HydrophobicContact CD2-CG 4Å; L423-R427 WeakPolarHBondContact O-CB 3.45Å; L423-R427 WeakPolarHBondContact O-CG 3.21Å; L423-R427 PolarHBondContact O-N 2.73Å; Q425-R427 PolarHBondContact O-N 2.83Å; R427-K431 VanDerWaalsContact O-CB 3.29Å; R427-K431 WeakPolarHBondContact O-CB 3.38Å; R427-K431 PolarHBondContact O-N 3.23Å; R427-K431 VanDerWaalsContact O-N 3.08Å
428A92.3Very high90Very high3 Ų326.1 Ų26.13%0.02512%0.121CC..Hα-helixtrans-64.3-43177.400000111.4T424 Q425 L426 K431 W432 E456 L459 V460T424-A428 PolarHBondContact O-N 3.43Å; Q425-A428 PolarHBondContact O-N 2.81Å; L426-A428 VanDerWaalsContact C-N 3.34Å; L426-A428 PolarHBondContact O-N 3.23Å; A428-K431 PolarHBondContact O-N 3.12Å; A428-W432 WeakPolarHBondContact O-CB 3.41Å; A428-W432 PolarHBondContact O-N 2.92Å; A428-E456 HydrophobicContact CB-CB 4.15Å; A428-L459 HydrophobicContact CB-CB 3.89Å; A428-L459 HydrophobicContact CB-CD1 4.29Å; A428-V460 VanDerWaalsContact C-CG2 3.42Å; A428-V460 HydrophobicContact CB-CG2 3.81Å; A428-V460 WeakPolarHBondContact O-CG2 3.28Å
429F93Very high89.9Confident1 Ų130.7 Ų30.70%0.00414%0.142CC..Hα-helixtrans-60.5-50.7178.6177.3-101.1000112.4F296 Q425 L426 K431 W432 L433 V460 F463 I464F296-F429 HydrophobicContact CZ-CE1 4.14Å; F296-F429 AromaticContact CZ-CZ 3.81Å; F296-F429 HydrophobicContact CZ-CZ 3.81Å; Q425-F429 WeakPolarHBondContact O-CB 3.22Å; Q425-F429 PolarHBondContact O-N 3.43Å; L426-F429 PolarHBondContact O-N 2.9Å; F429-K431 PolarHBondContact O-N 3.5Å; F429-W432 HydrophobicContact CD2-CE3 4.09Å; F429-W432 HydrophobicContact CD2-CZ3 4.24Å; F429-W432 HydrophobicContact CE2-CE3 4.11Å; F429-W432 AromaticContact CE2-CZ3 3.84Å; F429-W432 HydrophobicContact CE2-CZ3 3.84Å; F429-W432 PolarHBondContact O-N 2.86Å; F429-L433 HydrophobicContact CE1-CD2 3.88Å; F429-L433 HydrophobicContact CZ-CD2 3.77Å; F429-L433 WeakPolarHBondContact O-CB 3.2Å; F429-L433 PolarHBondContact O-N 3.44Å; F429-V460 HydrophobicContact CD2-CG1 4.18Å; F429-F463 HydrophobicContact CB-CD1 3.98Å; F429-F463 HydrophobicContact CB-CE1 4.31Å; F429-F463 HydrophobicContact CB-CG 4.4Å; F429-F463 HydrophobicContact CD1-CD1 4.33Å; F429-F463 AromaticContact CD1-CE1 3.87Å; F429-F463 HydrophobicContact CD1-CE1 3.87Å; F429-F463 AromaticContact CD2-CD1 3.43Å; F429-F463 HydrophobicContact CD2-CD1 3.43Å; F429-F463 VanDerWaalsContact CD2-CD1 3.43Å; F429-F463 AromaticContact CD2-CE1 3.65Å; F429-F463 HydrophobicContact CD2-CE1 3.65Å; F429-F463 HydrophobicContact CE1-CE1 4.09Å; F429-F463 AromaticContact CE2-CD1 3.97Å; F429-F463 HydrophobicContact CE2-CD1 3.97Å; F429-F463 AromaticContact CE2-CE1 3.87Å; F429-F463 HydrophobicContact CE2-CE1 3.87Å; F429-F463 AromaticContact CG-CD1 3.64Å; F429-F463 HydrophobicContact CG-CD1 3.64Å; F429-F463 AromaticContact CG-CE1 3.66Å; F429-F463 HydrophobicContact CG-CE1 3.66Å; F429-F463 HydrophobicContact CZ-CE1 4.1Å; F429-I464 HydrophobicContact CD2-CG1 4.46Å; F429-I464 HydrophobicContact CE2-CG1 4.32Å
430F91.9Very high89.8Confident16 Ų1632.7 Ų32.77%0.0715%0.152CC..Hα-helixtrans-65.2-38.2178.5-75.2-59.2000112.4M292 L342 T349 L426 Y434M292-F430 HydrophobicContact CE-CE1 4.2Å; M292-F430 HydrophobicContact CE-CE2 4.48Å; M292-F430 HydrophobicContact CE-CZ 3.67Å; M292-F430 HydrophobicContact SD-CE2 4.48Å; M292-F430 HydrophobicContact SD-CZ 3.69Å; L342-F430 HydrophobicContact CD1-CD1 3.76Å; L342-F430 HydrophobicContact CD1-CE1 3.83Å; L342-F430 HydrophobicContact CG-CD1 4.25Å; T349-F430 HydrophobicContact CG2-CE2 4.08Å; T349-F430 HydrophobicContact CG2-CZ 4.35Å; L426-F430 HydrophobicContact CB-CD2 4.36Å; L426-F430 HydrophobicContact CB-CE2 4.28Å; L426-F430 HydrophobicContact CD2-CE2 4.13Å; L426-F430 WeakPolarHBondContact O-CD2 3.19Å; L426-F430 PolarHBondContact O-N 2.94Å; F430-Y434 WeakPolarHBondContact O-CB 2.97Å; F430-Y434 PolarHBondContact O-N 3.18Å
431K92Very high89.6Confident61 Ų6131.1 Ų31.127%0.26515%0.149SC..Hα-helixtrans-60.9-46.4175.4-177.5-177.2177.1-169.50111.2R427 A428 F429 G435 P450 R451 E456R427-K431 VanDerWaalsContact O-CB 3.29Å; R427-K431 WeakPolarHBondContact O-CB 3.38Å; R427-K431 PolarHBondContact O-N 3.23Å; R427-K431 VanDerWaalsContact O-N 3.08Å; A428-K431 PolarHBondContact O-N 3.12Å; F429-K431 PolarHBondContact O-N 3.5Å; K431-G435 PolarHBondContact O-N 3.34Å; K431-P450 WeakPolarHBondContact CE-O 3.32Å; K431-R451 VanDerWaalsContact CE-O 3.23Å; K431-R451 WeakPolarHBondContact CE-O 3.44Å; K431-R451 PolarHBondContact NZ-O 2.89Å; K431-E456 IonicContact NZ-OE1 2.87Å; K431-E456 PolarHBondContact NZ-OE1 3.32Å; K431-E456 IonicContact NZ-OE2 2.73Å; K431-E456 PolarHBondContact NZ-OE2 3.1Å
432W94Very high89.2Confident26 Ų2631.6 Ų31.610%0.09817%0.17CC..Hα-helixtrans-61.7-56.3175.7170.162.4000111.9L316 F319 I320 A428 F429 Y434 G435 A436 V452 V460 I464L316-W432 HydrophobicContact CB-CH2 4.44Å; L316-W432 HydrophobicContact CD2-CH2 4.16Å; F319-W432 HydrophobicContact CB-CZ2 4.39Å; F319-W432 AromaticContact CD1-CH2 3.9Å; F319-W432 HydrophobicContact CD1-CH2 3.9Å; F319-W432 AromaticContact CD1-CZ2 3.6Å; F319-W432 HydrophobicContact CD1-CZ2 3.6Å; F319-W432 HydrophobicContact CE1-CZ2 4.16Å; F319-W432 HydrophobicContact CG-CZ2 4.13Å; I320-W432 HydrophobicContact CB-CH2 4.37Å; I320-W432 HydrophobicContact CB-CZ2 3.66Å; I320-W432 HydrophobicContact CD1-CD2 4.13Å; I320-W432 HydrophobicContact CD1-CG 4.28Å; I320-W432 HydrophobicContact CD1-CZ2 4.44Å; I320-W432 HydrophobicContact CG1-CZ2 4.24Å; A428-W432 WeakPolarHBondContact O-CB 3.41Å; A428-W432 PolarHBondContact O-N 2.92Å; F429-W432 HydrophobicContact CD2-CE3 4.09Å; F429-W432 HydrophobicContact CD2-CZ3 4.24Å; F429-W432 HydrophobicContact CE2-CE3 4.11Å; F429-W432 AromaticContact CE2-CZ3 3.84Å; F429-W432 HydrophobicContact CE2-CZ3 3.84Å; F429-W432 PolarHBondContact O-N 2.86Å; W432-Y434 VanDerWaalsContact C-N 3.27Å; W432-Y434 PolarHBondContact O-N 2.97Å; W432-G435 PolarHBondContact O-N 3.1Å; W432-G435 VanDerWaalsContact O-N 3.15Å; W432-A436 WeakPolarHBondContact O-CB 3.14Å; W432-A436 PolarHBondContact O-N 2.75Å; W432-V452 VanDerWaalsContact CA-CG2 3.43Å; W432-V452 HydrophobicContact CB-CG2 3.56Å; W432-V452 HydrophobicContact CG-CG2 4.21Å; W432-V460 HydrophobicContact CB-CG1 4.46Å; W432-V460 HydrophobicContact CB-CG2 3.99Å; W432-V460 HydrophobicContact CD2-CG1 3.93Å; W432-V460 HydrophobicContact CE3-CG1 3.62Å; W432-V460 HydrophobicContact CG-CG1 4.3Å; W432-V460 HydrophobicContact CZ3-CG1 4.17Å; W432-I464 HydrophobicContact CH2-CD1 4.21Å; W432-I464 HydrophobicContact CZ3-CD1 4Å
433L92.2Very high88.7Confident2 Ų239.5 Ų39.51%0.0120%0.199CC..Hα-helixtrans-63.2-36.6-173.3-168.764.2000111.5L333 W337 L342 F429 A436 I437L333-L433 HydrophobicContact CD1-CD1 4.27Å; L333-L433 HydrophobicContact CD2-CD1 3.7Å; L333-L433 HydrophobicContact CD2-CG 4.35Å; W337-L433 HydrophobicContact CZ3-CD2 4.2Å; L342-L433 HydrophobicContact CD1-CD2 3.82Å; L342-L433 HydrophobicContact CD2-CB 3.88Å; L342-L433 HydrophobicContact CD2-CD2 3.92Å; L342-L433 HydrophobicContact CD2-CG 3.75Å; F429-L433 HydrophobicContact CE1-CD2 3.88Å; F429-L433 HydrophobicContact CZ-CD2 3.77Å; F429-L433 WeakPolarHBondContact O-CB 3.2Å; F429-L433 PolarHBondContact O-N 3.44Å; L433-A436 PolarHBondContact O-N 3.42Å; L433-I437 HydrophobicContact CG-CD1 4.32Å; L433-I437 VanDerWaalsContact O-CG1 3.24Å; L433-I437 WeakPolarHBondContact O-CG1 3.45Å; L433-I437 PolarHBondContact O-N 3.05Å
434Y91.4Very high87.9Confident67 Ų6746 Ų4626%0.26324%0.239SC..Hα-helixtrans-63.6-46.4174.9-177.9-102.9000112.5A339 K343 F430 W432 A436 I437 L438 F449A339-Y434 HydrophobicContact CB-CD2 4.27Å; A339-Y434 HydrophobicContact CB-CE2 3.91Å; A339-Y434 WeakPolarHBondContact O-CE2 3.35Å; K343-Y434 HydrophobicContact CB-CD2 4.4Å; K343-Y434 HydrophobicContact CB-CE2 4.14Å; K343-Y434 HydrophobicContact CD-CE2 4.46Å; F430-Y434 WeakPolarHBondContact O-CB 2.97Å; F430-Y434 PolarHBondContact O-N 3.18Å; W432-Y434 VanDerWaalsContact C-N 3.27Å; W432-Y434 PolarHBondContact O-N 2.97Å; Y434-A436 VanDerWaalsContact C-N 3.32Å; Y434-A436 PolarHBondContact O-N 3.01Å; Y434-I437 PolarHBondContact O-N 2.9Å; Y434-L438 HydrophobicContact CD1-CD1 4.04Å; Y434-L438 HydrophobicContact CE1-CD1 3.54Å; Y434-L438 HydrophobicContact CE1-CG 4.5Å; Y434-L438 WeakPolarHBondContact O-CG 3.4Å; Y434-L438 PolarHBondContact O-N 3.24Å; Y434-F449 AromaticContact CD1-CZ 3.88Å; Y434-F449 HydrophobicContact CD1-CZ 3.88Å; Y434-F449 HydrophobicContact CE1-CE2 4.18Å; Y434-F449 AromaticContact CE1-CZ 3.94Å; Y434-F449 HydrophobicContact CE1-CZ 3.94Å
435G89.3Confident87.3Confident9 Ų943.8 Ų43.89%0.09323%0.225CC..Hα-helixtrans-61-42.717400000112K431 W432 I437 L438 E439K431-G435 PolarHBondContact O-N 3.34Å; W432-G435 PolarHBondContact O-N 3.1Å; W432-G435 VanDerWaalsContact O-N 3.15Å; G435-I437 PolarHBondContact O-N 3.48Å; G435-L438 PolarHBondContact O-N 3.33Å; G435-E439 WeakPolarHBondContact O-CG 3.48Å; G435-E439 PolarHBondContact O-N 2.75Å
436A89.2Confident86.7Confident5 Ų547.8 Ų47.84%0.04125%0.251CS..Hα-helixtrans-63.6-41.5-179.700000112.8F319 W432 L433 Y434 L438 E439 Q440F319-A436 HydrophobicContact CE1-CB 3.61Å; F319-A436 HydrophobicContact CZ-CB 3.63Å; W432-A436 WeakPolarHBondContact O-CB 3.14Å; W432-A436 PolarHBondContact O-N 2.75Å; L433-A436 PolarHBondContact O-N 3.42Å; Y434-A436 VanDerWaalsContact C-N 3.32Å; Y434-A436 PolarHBondContact O-N 3.01Å; A436-L438 VanDerWaalsContact C-N 3.35Å; A436-E439 PolarHBondContact O-N 2.87Å; A436-Q440 WeakPolarHBondContact O-CG 3.35Å; A436-Q440 PolarHBondContact O-N 3.4Å
437I89.7Confident85.8Confident4 Ų455.2 Ų55.22%0.02129%0.291CS..Hα-helixtrans-62-43.3174.2-68.6166.1000110.9L333 A339 L342 L433 Y434 G435 E439 Q440 S441L333-I437 HydrophobicContact CB-CG1 3.96Å; L333-I437 HydrophobicContact CD2-CD1 4.44Å; L333-I437 HydrophobicContact CD2-CG1 4.23Å; L333-I437 HydrophobicContact CG-CG1 4.49Å; L333-I437 WeakPolarHBondContact O-CG2 3.21Å; A339-I437 HydrophobicContact CB-CG2 3.86Å; L342-I437 HydrophobicContact CB-CD1 4.18Å; L342-I437 HydrophobicContact CD2-CD1 3.46Å; L342-I437 VanDerWaalsContact CD2-CD1 3.46Å; L342-I437 HydrophobicContact CG-CD1 4.38Å; L433-I437 HydrophobicContact CG-CD1 4.32Å; L433-I437 VanDerWaalsContact O-CG1 3.24Å; L433-I437 WeakPolarHBondContact O-CG1 3.45Å; L433-I437 PolarHBondContact O-N 3.05Å; Y434-I437 PolarHBondContact O-N 2.9Å; G435-I437 PolarHBondContact O-N 3.48Å; I437-E439 PolarHBondContact O-N 2.69Å; I437-Q440 PolarHBondContact O-N 2.97Å; I437-S441 WeakPolarHBondContact O-CB 3.5Å; I437-S441 PolarHBondContact O-N 3.37Å; I437-S441 PolarHBondContact O-OG 2.92Å
438L88Confident85.1Confident11 Ų1156.9 Ų56.96%0.05831%0.308CS..Hα-helixtrans-63.1-42.6-179.7-69.3174.6000111.6A339 Y434 G435 A436 S441 R443 L445 F449A339-L438 HydrophobicContact CB-CD2 4.12Å; Y434-L438 HydrophobicContact CD1-CD1 4.04Å; Y434-L438 HydrophobicContact CE1-CD1 3.54Å; Y434-L438 HydrophobicContact CE1-CG 4.5Å; Y434-L438 WeakPolarHBondContact O-CG 3.4Å; Y434-L438 PolarHBondContact O-N 3.24Å; G435-L438 PolarHBondContact O-N 3.33Å; A436-L438 VanDerWaalsContact C-N 3.35Å; L438-S441 WeakPolarHBondContact CA-OG 3.48Å; L438-S441 PolarHBondContact O-N 3.21Å; L438-S441 PolarHBondContact O-OG 3.4Å; L438-R443 PolarHBondContact O-N 3.41Å; L438-L445 HydrophobicContact CB-CD2 3.66Å; L438-L445 HydrophobicContact CB-CG 4.43Å; L438-L445 HydrophobicContact CD1-CD2 3.58Å; L438-L445 HydrophobicContact CG-CD2 4.26Å; L438-F449 HydrophobicContact CD1-CE2 3.82Å; L438-F449 HydrophobicContact CD1-CZ 3.79Å
439E86.3Confident84.5Confident96 Ų9658.6 Ų58.645%0.44932%0.316SS..Hα-helixtrans-62.8-45175.1-70177.5176.600112G435 A436 I437 S441 G442 L445G435-E439 WeakPolarHBondContact O-CG 3.48Å; G435-E439 PolarHBondContact O-N 2.75Å; A436-E439 PolarHBondContact O-N 2.87Å; I437-E439 PolarHBondContact O-N 2.69Å; E439-S441 VanDerWaalsContact C-N 3.26Å; E439-S441 PolarHBondContact O-N 2.99Å; E439-G442 PolarHBondContact O-N 3.43Å; E439-G442 VanDerWaalsContact O-N 3.16Å; E439-L445 HydrophobicContact CG-CD1 3.65Å; E439-L445 HydrophobicContact CG-CG 4.37Å
440Q86.9Confident83.7Confident42 Ų4262.6 Ų62.620%0.19634%0.342CS..Hα-helixtrans-68.7-23.7177.9-66.3-55.1-55.600113.4F319 C325 R330 V334 A436 I437 G442F319-Q440 HydrophobicContact CZ-CG 4.01Å; C325-Q440 HydrophobicContact CB-CG 4.37Å; R330-Q440 HydrophobicContact CG-CB 4.38Å; R330-Q440 VanDerWaalsContact NH2-OE1 3.16Å; V334-Q440 HydrophobicContact CG2-CB 4.06Å; A436-Q440 WeakPolarHBondContact O-CG 3.35Å; A436-Q440 PolarHBondContact O-N 3.4Å; I437-Q440 PolarHBondContact O-N 2.97Å; Q440-G442 PolarHBondContact O-N 3.46Å
441S84Confident83.3Confident47 Ų4769.2 Ų69.233%0.32937%0.366SS..THydrogen-bonded Turntrans-78-0.9174.4740000114.1I437 L438 E439 R443I437-S441 WeakPolarHBondContact O-CB 3.5Å; I437-S441 PolarHBondContact O-N 3.37Å; I437-S441 PolarHBondContact O-OG 2.92Å; L438-S441 WeakPolarHBondContact CA-OG 3.48Å; L438-S441 PolarHBondContact O-N 3.21Å; L438-S441 PolarHBondContact O-OG 3.4Å; E439-S441 VanDerWaalsContact C-N 3.26Å; E439-S441 PolarHBondContact O-N 2.99Å; S441-R443 VanDerWaalsContact C-N 3.29Å; S441-R443 PolarHBondContact O-N 2.73Å; S441-R443 WeakPolarHBondContact OG-CG 3.5Å
442G78Confident83.1Confident66 Ų6668.2 Ų68.268%0.6837%0.365SS*.THydrogen-bonded Turntrans76.212.5-178.700000114.4E439 Q440E439-G442 PolarHBondContact O-N 3.43Å; E439-G442 VanDerWaalsContact O-N 3.16Å; Q440-G442 PolarHBondContact O-N 3.46Å
443R76.3Confident82.9Confident172 Ų17271.1 Ų71.165%0.64938%0.382SS*.  trans-79.9128.8175.8-69.2-179.2179.2-1600.7109.9L438 S441 L445L438-R443 PolarHBondContact O-N 3.41Å; S441-R443 VanDerWaalsContact C-N 3.29Å; S441-R443 PolarHBondContact O-N 2.73Å; S441-R443 WeakPolarHBondContact OG-CG 3.5Å; R443-L445 PolarHBondContact O-N 2.91Å
444V73Confident82.7Confident143 Ų14377.6 Ų77.687%0.86742%0.416SS*.  trans-72.8112.7171.9-176.50000108.5
445L75.9Confident82.7Confident20 Ų2077.3 Ų77.311%0.10543%0.428CS..  trans-71.9134.8174.3-67.2178.3000109.7L438 E439 R443 F449L438-L445 HydrophobicContact CB-CD2 3.66Å; L438-L445 HydrophobicContact CB-CG 4.43Å; L438-L445 HydrophobicContact CD1-CD2 3.58Å; L438-L445 HydrophobicContact CG-CD2 4.26Å; E439-L445 HydrophobicContact CG-CD1 3.65Å; E439-L445 HydrophobicContact CG-CG 4.37Å; R443-L445 PolarHBondContact O-N 2.91Å; L445-F449 HydrophobicContact CB-CB 4.12Å; L445-F449 HydrophobicContact CB-CG 4.24Å; L445-F449 HydrophobicContact CD1-CD1 3.86Å; L445-F449 HydrophobicContact CD1-CE1 4.09Å; L445-F449 HydrophobicContact CD1-CG 4.2Å; L445-F449 HydrophobicContact CD2-CD1 4.29Å; L445-F449 HydrophobicContact CD2-CD2 3.76Å; L445-F449 HydrophobicContact CD2-CE1 4.32Å; L445-F449 HydrophobicContact CD2-CE2 3.79Å; L445-F449 HydrophobicContact CD2-CG 4Å; L445-F449 HydrophobicContact CD2-CZ 4.07Å; L445-F449 HydrophobicContact CG-CG 4.39Å
446P75.5Confident82.8Confident87 Ų8778.9 Ų78.957%0.56543%0.433SS*.  trans-54.2148.9170.5-24.433.6000111.4D448 F449P446-D448 PolarHBondContact O-N 2.99Å; P446-D448 VanDerWaalsContact O-N 3.13Å; P446-F449 WeakPolarHBondContact O-CB 3.46Å; P446-F449 PolarHBondContact O-N 2.85Å
447N71.4Confident83Confident159 Ų15982.9 Ų82.985%0.8545%0.447SS*.THydrogen-bonded Turntrans-57.1-31.1178.8-72.1-18.8000112.5F449N447-F449 VanDerWaalsContact C-N 3.26Å; N447-F449 PolarHBondContact O-N 3.43Å
448D76.9Confident83.1Confident157 Ų15788.8 Ų88.884%0.8447%0.474SS*.THydrogen-bonded Turntrans-85.911179.1-54.7-31.4000113.4P446P446-D448 PolarHBondContact O-N 2.99Å; P446-D448 VanDerWaalsContact O-N 3.13Å
449F79.6Confident83.2Confident40 Ų4090.6 Ų90.618%0.17548%0.484CS..  trans-63.4130.4178.9-171.3-93.1000110.3Y434 L438 L445 P446 N447 R451Y434-F449 AromaticContact CD1-CZ 3.88Å; Y434-F449 HydrophobicContact CD1-CZ 3.88Å; Y434-F449 HydrophobicContact CE1-CE2 4.18Å; Y434-F449 AromaticContact CE1-CZ 3.94Å; Y434-F449 HydrophobicContact CE1-CZ 3.94Å; L438-F449 HydrophobicContact CD1-CE2 3.82Å; L438-F449 HydrophobicContact CD1-CZ 3.79Å; L445-F449 HydrophobicContact CB-CB 4.12Å; L445-F449 HydrophobicContact CB-CG 4.24Å; L445-F449 HydrophobicContact CD1-CD1 3.86Å; L445-F449 HydrophobicContact CD1-CE1 4.09Å; L445-F449 HydrophobicContact CD1-CG 4.2Å; L445-F449 HydrophobicContact CD2-CD1 4.29Å; L445-F449 HydrophobicContact CD2-CD2 3.76Å; L445-F449 HydrophobicContact CD2-CE1 4.32Å; L445-F449 HydrophobicContact CD2-CE2 3.79Å; L445-F449 HydrophobicContact CD2-CG 4Å; L445-F449 HydrophobicContact CD2-CZ 4.07Å; L445-F449 HydrophobicContact CG-CG 4.39Å; P446-F449 WeakPolarHBondContact O-CB 3.46Å; P446-F449 PolarHBondContact O-N 2.85Å; N447-F449 VanDerWaalsContact C-N 3.26Å; N447-F449 PolarHBondContact O-N 3.43Å; F449-R451 VanDerWaalsContact C-N 3.34Å; F449-R451 HydrophobicContact CD1-CG 4.41Å; F449-R451 PolarHBondContact O-N 3.25Å
450P77.2Confident83.6Confident85 Ų8586 Ų8655%0.55246%0.462SS*.  trans-72.188.9-173.829.5-34.9000110.4K431K431-P450 WeakPolarHBondContact CE-O 3.32Å
451R82.4Confident83.8Confident155 Ų15586 Ų8659%0.58546%0.463SS*.  trans-73.9159.3175.1-66.4-178.3-175.8-174.90.7111K431 F449 N453K431-R451 VanDerWaalsContact CE-O 3.23Å; K431-R451 WeakPolarHBondContact CE-O 3.44Å; K431-R451 PolarHBondContact NZ-O 2.89Å; F449-R451 VanDerWaalsContact C-N 3.34Å; F449-R451 HydrophobicContact CD1-CG 4.41Å; F449-R451 PolarHBondContact O-N 3.25Å; R451-N453 PolarHBondContact O-N 3.25Å
452V87.2Confident84Confident39 Ų3986.8 Ų86.824%0.23646%0.464CS..  trans-69.6123.5177-156.30000108.1W432 E456 V460W432-V452 VanDerWaalsContact CA-CG2 3.43Å; W432-V452 HydrophobicContact CB-CG2 3.56Å; W432-V452 HydrophobicContact CG-CG2 4.21Å; V452-E456 VanDerWaalsContact CA-OE2 3.29Å; V452-E456 WeakPolarHBondContact CA-OE2 3.42Å; V452-E456 HydrophobicContact CB-CB 4.47Å; V452-E456 HydrophobicContact CG1-CB 3.31Å; V452-E456 HydrophobicContact CG1-CG 4.5Å; V452-V460 HydrophobicContact CG1-CG2 4.43Å
453N89.7Confident84.5Confident87 Ų8783.8 Ų83.847%0.46543%0.432SS..  trans-78.6175.2174.870.238.8000111.3R451 A455 E456 R457R451-N453 PolarHBondContact O-N 3.25Å; N453-A455 VanDerWaalsContact C-N 3.35Å; N453-A455 PolarHBondContact O-N 2.89Å; N453-A455 PolarHBondContact OD1-N 3.46Å; N453-A455 VanDerWaalsContact OD1-N 3.09Å; N453-E456 PolarHBondContact N-OE2 3.39Å; N453-E456 PolarHBondContact O-N 2.94Å; N453-E456 WeakPolarHBondContact OD1-CB 3.25Å; N453-E456 WeakPolarHBondContact OD1-CG 3.38Å; N453-E456 PolarHBondContact OD1-N 3.43Å; N453-R457 WeakPolarHBondContact O-CB 3.45Å; N453-R457 PolarHBondContact O-N 3.15Å
454L89.7Confident85.3Confident138 Ų13875.6 Ų75.672%0.72340%0.401SS*.Hα-helixtrans-59.7-41.7-177.4-69.9174.2000112.9R457 E458L454-R457 WeakPolarHBondContact O-CB 3.31Å; L454-R457 PolarHBondContact O-N 3.44Å; L454-E458 PolarHBondContact O-N 3.21Å; L454-E458 VanDerWaalsContact O-N 3.15Å
455A90.7Very high85.9Confident61 Ų6171.3 Ų71.350%0.50438%0.375SS..Hα-helixtrans-68.3-40.8178.200000111.9N453 R457 E458 L459N453-A455 VanDerWaalsContact C-N 3.35Å; N453-A455 PolarHBondContact O-N 2.89Å; N453-A455 PolarHBondContact OD1-N 3.46Å; N453-A455 VanDerWaalsContact OD1-N 3.09Å; A455-R457 VanDerWaalsContact C-N 3.3Å; A455-R457 PolarHBondContact O-N 3.19Å; A455-E458 PolarHBondContact O-N 3.27Å; A455-L459 WeakPolarHBondContact O-CG 3.47Å; A455-L459 PolarHBondContact O-N 2.99Å; A455-L459 VanDerWaalsContact O-N 3.11Å
456E92Very high86.2Confident43 Ų4374.1 Ų74.120%0.20139%0.39CS..Hα-helixtrans-64.7-35.5173.8-69.9173.1144.200111A428 K431 V452 N453 E458 L459 V460A428-E456 HydrophobicContact CB-CB 4.15Å; K431-E456 IonicContact NZ-OE1 2.87Å; K431-E456 PolarHBondContact NZ-OE1 3.32Å; K431-E456 IonicContact NZ-OE2 2.73Å; K431-E456 PolarHBondContact NZ-OE2 3.1Å; V452-E456 VanDerWaalsContact CA-OE2 3.29Å; V452-E456 WeakPolarHBondContact CA-OE2 3.42Å; V452-E456 HydrophobicContact CB-CB 4.47Å; V452-E456 HydrophobicContact CG1-CB 3.31Å; V452-E456 HydrophobicContact CG1-CG 4.5Å; N453-E456 PolarHBondContact N-OE2 3.39Å; N453-E456 PolarHBondContact O-N 2.94Å; N453-E456 WeakPolarHBondContact OD1-CB 3.25Å; N453-E456 WeakPolarHBondContact OD1-CG 3.38Å; N453-E456 PolarHBondContact OD1-N 3.43Å; E456-E458 VanDerWaalsContact C-N 3.35Å; E456-E458 PolarHBondContact O-N 3.4Å; E456-L459 WeakPolarHBondContact O-CB 3.09Å; E456-L459 PolarHBondContact O-N 3.45Å; E456-V460 WeakPolarHBondContact O-CG2 3.44Å; E456-V460 PolarHBondContact O-N 3.07Å
457R92.1Very high86.5Confident89 Ų8970.2 Ų70.234%0.33637%0.365SS..Hα-helixtrans-62.1-42.7175.3-171.9-173.1-173.4-175.25.6111.3I320 L321 N453 L454 A455 L459 V460 I461I320-R457 HydrophobicContact CD1-CG 3.99Å; I320-R457 HydrophobicContact CG1-CG 4.17Å; I320-R457 PolarHBondContact O-NH2 2.95Å; L321-R457 PolarHBondContact O-NH2 2.93Å; N453-R457 WeakPolarHBondContact O-CB 3.45Å; N453-R457 PolarHBondContact O-N 3.15Å; L454-R457 WeakPolarHBondContact O-CB 3.31Å; L454-R457 PolarHBondContact O-N 3.44Å; A455-R457 VanDerWaalsContact C-N 3.3Å; A455-R457 PolarHBondContact O-N 3.19Å; R457-L459 VanDerWaalsContact C-N 3.32Å; R457-L459 PolarHBondContact O-N 3.11Å; R457-V460 PolarHBondContact O-N 3.37Å; R457-I461 HydrophobicContact CG-CD1 4.2Å; R457-I461 WeakPolarHBondContact O-CG1 3.1Å; R457-I461 PolarHBondContact O-N 3.17Å
458E91.9Very high87.1Confident127 Ų12762.7 Ų62.759%0.59333%0.325SS*.Hα-helixtrans-60.8-41.4173.5-69.9177.4175.700111.5L454 A455 E456 V460 I461 N462L454-E458 PolarHBondContact O-N 3.21Å; L454-E458 VanDerWaalsContact O-N 3.15Å; A455-E458 PolarHBondContact O-N 3.27Å; E456-E458 VanDerWaalsContact C-N 3.35Å; E456-E458 PolarHBondContact O-N 3.4Å; E458-V460 VanDerWaalsContact C-N 3.32Å; E458-V460 PolarHBondContact O-N 3.07Å; E458-I461 PolarHBondContact O-N 2.62Å; E458-N462 WeakPolarHBondContact O-CB 3.32Å; E458-N462 PolarHBondContact O-N 3.37Å; E458-N462 PolarHBondContact O-ND2 2.97Å
459L91.5Very high87.4Confident49 Ų4958.6 Ų58.626%0.25730%0.301SS..Hα-helixtrans-60.7-40.3174.9-68.1171.9000112.5T424 Q425 A428 A455 E456 R457 N462 F463T424-L459 HydrophobicContact CG2-CD1 3.72Å; T424-L459 HydrophobicContact CG2-CD2 4.35Å; Q425-L459 HydrophobicContact CG-CD2 4.32Å; A428-L459 HydrophobicContact CB-CB 3.89Å; A428-L459 HydrophobicContact CB-CD1 4.29Å; A455-L459 WeakPolarHBondContact O-CG 3.47Å; A455-L459 PolarHBondContact O-N 2.99Å; A455-L459 VanDerWaalsContact O-N 3.11Å; E456-L459 WeakPolarHBondContact O-CB 3.09Å; E456-L459 PolarHBondContact O-N 3.45Å; R457-L459 VanDerWaalsContact C-N 3.32Å; R457-L459 PolarHBondContact O-N 3.11Å; L459-N462 PolarHBondContact O-N 3.43Å; L459-F463 WeakPolarHBondContact O-CB 3.31Å; L459-F463 PolarHBondContact O-N 3.39Å
460V92.7Very high87.7Confident0 Ų058.9 Ų58.90%031%0.307CS..Hα-helixtrans-66.3-44.1176.1179.50000111.4I320 A428 F429 W432 V452 E456 R457 E458 N462 F463 I464I320-V460 HydrophobicContact CD1-CB 3.66Å; I320-V460 HydrophobicContact CD1-CG1 3.36Å; A428-V460 VanDerWaalsContact C-CG2 3.42Å; A428-V460 HydrophobicContact CB-CG2 3.81Å; A428-V460 WeakPolarHBondContact O-CG2 3.28Å; F429-V460 HydrophobicContact CD2-CG1 4.18Å; W432-V460 HydrophobicContact CB-CG1 4.46Å; W432-V460 HydrophobicContact CB-CG2 3.99Å; W432-V460 HydrophobicContact CD2-CG1 3.93Å; W432-V460 HydrophobicContact CE3-CG1 3.62Å; W432-V460 HydrophobicContact CG-CG1 4.3Å; W432-V460 HydrophobicContact CZ3-CG1 4.17Å; V452-V460 HydrophobicContact CG1-CG2 4.43Å; E456-V460 WeakPolarHBondContact O-CG2 3.44Å; E456-V460 PolarHBondContact O-N 3.07Å; R457-V460 PolarHBondContact O-N 3.37Å; E458-V460 VanDerWaalsContact C-N 3.32Å; E458-V460 PolarHBondContact O-N 3.07Å; V460-N462 VanDerWaalsContact C-N 3.33Å; V460-N462 PolarHBondContact O-N 2.98Å; V460-F463 WeakPolarHBondContact O-CB 3.31Å; V460-F463 PolarHBondContact O-N 3.02Å; V460-I464 HydrophobicContact CG1-CD1 3.68Å; V460-I464 HydrophobicContact CG1-CG1 4.34Å; V460-I464 VanDerWaalsContact O-CG1 3.31Å; V460-I464 WeakPolarHBondContact O-CG1 3.36Å; V460-I464 PolarHBondContact O-N 3.36Å
461I92.3Very high87.9Confident41 Ų4157 Ų5721%0.2129%0.294CS..Hα-helixtrans-60.5-45.6176.6-69.6167.5000110.3L317 I320 L321 R457 E458 F463 I464 T465L317-I461 HydrophobicContact CD2-CG1 4.38Å; L317-I461 HydrophobicContact CD2-CG2 4.03Å; I320-I461 HydrophobicContact CD1-CG1 4.34Å; I320-I461 HydrophobicContact CG2-CG1 4.17Å; L321-I461 HydrophobicContact CD2-CD1 4.07Å; R457-I461 HydrophobicContact CG-CD1 4.2Å; R457-I461 WeakPolarHBondContact O-CG1 3.1Å; R457-I461 PolarHBondContact O-N 3.17Å; E458-I461 PolarHBondContact O-N 2.62Å; I461-F463 VanDerWaalsContact C-N 3.33Å; I461-F463 PolarHBondContact O-N 3.31Å; I461-I464 PolarHBondContact O-N 2.93Å; I461-T465 WeakPolarHBondContact O-CB 3.34Å; I461-T465 PolarHBondContact O-N 3.4Å; I461-T465 PolarHBondContact O-OG1 3.28Å
462N88.3Confident88Confident65 Ų6554.6 Ų54.635%0.34829%0.288SS..Hα-helixtrans-62.5-40.1176.9-67.9-20.9000111.5E458 L459 V460 T465 D466E458-N462 WeakPolarHBondContact O-CB 3.32Å; E458-N462 PolarHBondContact O-N 3.37Å; E458-N462 PolarHBondContact O-ND2 2.97Å; L459-N462 PolarHBondContact O-N 3.43Å; V460-N462 VanDerWaalsContact C-N 3.33Å; V460-N462 PolarHBondContact O-N 2.98Å; N462-T465 PolarHBondContact O-N 2.86Å; N462-D466 VanDerWaalsContact O-CB 3.23Å; N462-D466 WeakPolarHBondContact O-CB 3.27Å; N462-D466 PolarHBondContact O-N 3Å
463F89.2Confident87.7Confident2 Ų256.1 Ų56.11%0.00930%0.297CS..Iπ-helixtrans-62.4-49.1175.3177.6-99.3000112.4Q425 L426 F429 L459 V460 I461 T465 S467 L468 V482Q425-F463 HydrophobicContact CB-CB 4.16Å; Q425-F463 HydrophobicContact CB-CD2 4.17Å; L426-F463 HydrophobicContact CD2-CD2 4.38Å; L426-F463 HydrophobicContact CD2-CE2 3.55Å; L426-F463 HydrophobicContact CD2-CZ 3.67Å; L426-F463 HydrophobicContact CG-CE2 4.15Å; F429-F463 HydrophobicContact CB-CD1 3.98Å; F429-F463 HydrophobicContact CB-CE1 4.31Å; F429-F463 HydrophobicContact CB-CG 4.4Å; F429-F463 HydrophobicContact CD1-CD1 4.33Å; F429-F463 AromaticContact CD1-CE1 3.87Å; F429-F463 HydrophobicContact CD1-CE1 3.87Å; F429-F463 AromaticContact CD2-CD1 3.43Å; F429-F463 HydrophobicContact CD2-CD1 3.43Å; F429-F463 VanDerWaalsContact CD2-CD1 3.43Å; F429-F463 AromaticContact CD2-CE1 3.65Å; F429-F463 HydrophobicContact CD2-CE1 3.65Å; F429-F463 HydrophobicContact CE1-CE1 4.09Å; F429-F463 AromaticContact CE2-CD1 3.97Å; F429-F463 HydrophobicContact CE2-CD1 3.97Å; F429-F463 AromaticContact CE2-CE1 3.87Å; F429-F463 HydrophobicContact CE2-CE1 3.87Å; F429-F463 AromaticContact CG-CD1 3.64Å; F429-F463 HydrophobicContact CG-CD1 3.64Å; F429-F463 AromaticContact CG-CE1 3.66Å; F429-F463 HydrophobicContact CG-CE1 3.66Å; F429-F463 HydrophobicContact CZ-CE1 4.1Å; L459-F463 WeakPolarHBondContact O-CB 3.31Å; L459-F463 PolarHBondContact O-N 3.39Å; V460-F463 WeakPolarHBondContact O-CB 3.31Å; V460-F463 PolarHBondContact O-N 3.02Å; I461-F463 VanDerWaalsContact C-N 3.33Å; I461-F463 PolarHBondContact O-N 3.31Å; F463-T465 VanDerWaalsContact C-N 3.26Å; F463-T465 PolarHBondContact O-N 3.3Å; F463-S467 WeakPolarHBondContact O-CA 3.43Å; F463-S467 VanDerWaalsContact O-CB 3.31Å; F463-S467 WeakPolarHBondContact O-CB 3.42Å; F463-S467 PolarHBondContact O-N 2.91Å; F463-L468 PolarHBondContact O-N 2.89Å; F463-L468 VanDerWaalsContact O-N 3.12Å; F463-V482 HydrophobicContact CZ-CG1 3.87Å
464I91.1Very high87.3Confident0 Ų061.4 Ų61.40%032%0.319CS..Iπ-helixtrans-63.3-36.2-179.6-66.2164000110.9C313 L316 L317 F429 W432 V460 I461C313-I464 HydrophobicContact CB-CG2 4.4Å; C313-I464 PolarHBondContact SG-O 2.82Å; L316-I464 HydrophobicContact CB-CD1 3.95Å; L316-I464 HydrophobicContact CB-CG1 4.35Å; L316-I464 HydrophobicContact CB-CG2 3.94Å; L316-I464 HydrophobicContact CD1-CG1 4.46Å; L317-I464 HydrophobicContact CD2-CB 4.5Å; L317-I464 HydrophobicContact CD2-CG2 4.21Å; L317-I464 HydrophobicContact CG-CG2 3.91Å; F429-I464 HydrophobicContact CD2-CG1 4.46Å; F429-I464 HydrophobicContact CE2-CG1 4.32Å; W432-I464 HydrophobicContact CH2-CD1 4.21Å; W432-I464 HydrophobicContact CZ3-CD1 4Å; V460-I464 HydrophobicContact CG1-CD1 3.68Å; V460-I464 HydrophobicContact CG1-CG1 4.34Å; V460-I464 VanDerWaalsContact O-CG1 3.31Å; V460-I464 WeakPolarHBondContact O-CG1 3.36Å; V460-I464 PolarHBondContact O-N 3.36Å; I461-I464 PolarHBondContact O-N 2.93Å
465T86.7Confident86.9Confident53 Ų5358.1 Ų58.133%0.32532%0.318SS..Iπ-helixtrans-82.4-45.5-176.6-49.40000112I461 N462 F463 Q469I461-T465 WeakPolarHBondContact O-CB 3.34Å; I461-T465 PolarHBondContact O-N 3.4Å; I461-T465 PolarHBondContact O-OG1 3.28Å; N462-T465 PolarHBondContact O-N 2.86Å; F463-T465 VanDerWaalsContact C-N 3.26Å; F463-T465 PolarHBondContact O-N 3.3Å; T465-Q469 PolarHBondContact O-NE2 2.87Å
466D81.2Confident86.4Confident79 Ų7962.5 Ų62.542%0.42233%0.328SS..Iπ-helixtrans-98.3-33.1-168-58.6-23.6000113.4N462 K496N462-D466 VanDerWaalsContact O-CB 3.23Å; N462-D466 WeakPolarHBondContact O-CB 3.27Å; N462-D466 PolarHBondContact O-N 3Å; D466-K496 PolarHBondContact O-NZ 3.47Å
467S81.8Confident86.1Confident5 Ų561 Ų614%0.03532%0.321CS..Iπ-helixtrans-98.7-41.8-171.7-55.80000112.5F463 Q469F463-S467 WeakPolarHBondContact O-CA 3.43Å; F463-S467 VanDerWaalsContact O-CB 3.31Å; F463-S467 WeakPolarHBondContact O-CB 3.42Å; F463-S467 PolarHBondContact O-N 2.91Å; S467-Q469 PolarHBondContact O-N 3.1Å; S467-Q469 VanDerWaalsContact O-N 3.09Å
468L84.9Confident85.6Confident1 Ų161.8 Ų61.81%0.00533%0.329CS..  trans-83.181.3-175.3-169.769.4000112.1F296 L312 L316 F463 Y480 Q481 V482F296-L468 HydrophobicContact CD2-CD1 4.06Å; F296-L468 HydrophobicContact CE2-CD1 4.16Å; F296-L468 HydrophobicContact CG-CD1 4.37Å; L312-L468 HydrophobicContact CD2-CD2 3.76Å; L312-L468 HydrophobicContact CD2-CG 4.34Å; L312-L468 HydrophobicContact CG-CD2 4.05Å; L316-L468 HydrophobicContact CD1-CD2 3.62Å; F463-L468 PolarHBondContact O-N 2.89Å; F463-L468 VanDerWaalsContact O-N 3.12Å; L468-Y480 HydrophobicContact CD1-CD1 3.88Å; L468-Y480 HydrophobicContact CG-CD1 3.95Å; L468-Y480 HydrophobicContact CG-CE1 4.34Å; L468-Q481 WeakPolarHBondContact CA-O 3.44Å; L468-V482 HydrophobicContact CD1-CG1 4.42Å; L468-V482 HydrophobicContact CD1-CG2 4.14Å
469Q83.2Confident85.1Confident72 Ų7257.2 Ų57.234%0.33631%0.308SS..EExtended strand (participates in β ladder)trans-113.6134.3-173.4-68.2-67.4-32.600112.1T465 S467 Q481T465-Q469 PolarHBondContact O-NE2 2.87Å; S467-Q469 PolarHBondContact O-N 3.1Å; S467-Q469 VanDerWaalsContact O-N 3.09Å; Q469-Q481 PolarHBondContact N-O 3.35Å; Q469-Q481 PolarHBondContact O-N 2.96Å
470P85.2Confident84.7Confident46 Ų4655.3 Ų55.330%0.29930%0.298SS..EExtended strand (participates in β ladder)trans-78.2137.617731.8-33.5000111.4F472 L477 Y480P470-F472 HydrophobicContact CB-CD2 4.26Å; P470-F472 HydrophobicContact CB-CE2 3.65Å; P470-F472 HydrophobicContact CB-CZ 4.34Å; P470-F472 HydrophobicContact CG-CE2 3.86Å; P470-L477 HydrophobicContact CB-CD1 3.65Å; P470-Y480 HydrophobicContact CB-CE1 4.08Å; P470-Y480 HydrophobicContact CB-CE2 4.28Å
471V82.8Confident83.9Confident46 Ų4656.3 Ų56.328%0.27930%0.303SS..EExtended strand (participates in β ladder)trans-107.8116.9175-176.40000109.3Q478 N479 Q481V471-Q478 PolarHBondContact O-N 2.94Å; V471-N479 VanDerWaalsContact CB-OD1 3.27Å; V471-N479 WeakPolarHBondContact CB-OD1 3.43Å; V471-N479 PolarHBondContact N-O 3.33Å; V471-Q481 HydrophobicContact CG2-CB 4.08Å
472F84Confident83.3Confident104 Ų10454.6 Ų54.646%0.45629%0.294SS..EExtended strand (participates in β ladder)trans-105129177.7-69-90.8000110.8L304 P470 E476 L477L304-F472 HydrophobicContact CD1-CE1 4.11Å; L304-F472 HydrophobicContact CD1-CZ 4.08Å; P470-F472 HydrophobicContact CB-CD2 4.26Å; P470-F472 HydrophobicContact CB-CE2 3.65Å; P470-F472 HydrophobicContact CB-CZ 4.34Å; P470-F472 HydrophobicContact CG-CE2 3.86Å; F472-E476 CarbonylContact C-O 3.54Å; F472-E476 VanDerWaalsContact CA-O 3.28Å; F472-E476 WeakPolarHBondContact CA-O 3.47Å; F472-L477 HydrophobicContact CD1-CB 4.11Å; F472-L477 HydrophobicContact CE1-CB 3.77Å; F472-L477 HydrophobicContact CE1-CD1 4.25Å; F472-L477 HydrophobicContact CE2-CD1 4.3Å; F472-L477 HydrophobicContact CZ-CB 4.38Å; F472-L477 HydrophobicContact CZ-CD1 4.09Å
473V81.4Confident83Confident71 Ų7151.7 Ų51.743%0.4328%0.278SS..EExtended strand (participates in β ladder)trans-120.9126172176.30000108G475 E476 Q478V473-G475 PolarHBondContact O-N 3.44Å; V473-G475 VanDerWaalsContact O-N 3.13Å; V473-E476 PolarHBondContact N-O 2.92Å; V473-E476 PolarHBondContact O-N 3.21Å; V473-Q478 HydrophobicContact CG2-CB 4.26Å
474Q80.1Confident82.8Confident198 Ų19852 Ų5293%0.92528%0.28SS*.THydrogen-bonded Turntrans53.731.1-176.9-61.3178.5-9.500114E476Q474-E476 VanDerWaalsContact C-N 3.29Å; Q474-E476 PolarHBondContact O-N 3.36Å
475G80.7Confident82.6Confident68 Ų6852 Ų5270%0.70128%0.28SS*.THydrogen-bonded Turntrans82.9-4.2179.800000115V473V473-G475 PolarHBondContact O-N 3.44Å; V473-G475 VanDerWaalsContact O-N 3.13Å
476E81.8Confident82.7Confident154 Ų15451.3 Ų51.372%0.7227%0.273SS*.EExtended strand (participates in β ladder)trans-100.9142.6173.8-64.4-163.816000111.5F472 V473 Q474 Q478F472-E476 CarbonylContact C-O 3.54Å; F472-E476 VanDerWaalsContact CA-O 3.28Å; F472-E476 WeakPolarHBondContact CA-O 3.47Å; V473-E476 PolarHBondContact N-O 2.92Å; V473-E476 PolarHBondContact O-N 3.21Å; Q474-E476 VanDerWaalsContact C-N 3.29Å; Q474-E476 PolarHBondContact O-N 3.36Å; E476-Q478 PolarHBondContact O-N 3.17Å; E476-Q478 VanDerWaalsContact O-N 3.11Å
477L84.2Confident83.1Confident11 Ų1148 Ų486%0.05826%0.255CS..EExtended strand (participates in β ladder)trans-69.3107.5175.1178.372.7000109.4A300 R301 L304 P470 F472 Y480A300-L477 HydrophobicContact CB-CD2 3.52Å; R301-L477 HydrophobicContact CG-CD2 4.05Å; R301-L477 PolarHBondContact NE-O 3.01Å; R301-L477 PolarHBondContact NH2-O 3.44Å; L304-L477 HydrophobicContact CD1-CB 4.02Å; L304-L477 HydrophobicContact CD1-CD2 3.89Å; L304-L477 HydrophobicContact CD1-CG 4.46Å; P470-L477 HydrophobicContact CB-CD1 3.65Å; F472-L477 HydrophobicContact CD1-CB 4.11Å; F472-L477 HydrophobicContact CE1-CB 3.77Å; F472-L477 HydrophobicContact CE1-CD1 4.25Å; F472-L477 HydrophobicContact CE2-CD1 4.3Å; F472-L477 HydrophobicContact CZ-CB 4.38Å; F472-L477 HydrophobicContact CZ-CD1 4.09Å; L477-Y480 HydrophobicContact CD1-CD2 4.27Å; L477-Y480 HydrophobicContact CD1-CE2 3.95Å; L477-Y480 HydrophobicContact CD2-CD2 4.19Å; L477-Y480 HydrophobicContact CD2-CE2 3.66Å; L477-Y480 HydrophobicContact CG-CE2 4.41Å
478Q82.9Confident83.5Confident106 Ų10647.7 Ų47.750%0.49525%0.253SS..EExtended strand (participates in β ladder)trans-74-59.1177.7-172.8177.519.300109.8R301 V471 V473 E476R301-Q478 PolarHBondContact NH2-O 3.15Å; V471-Q478 PolarHBondContact O-N 2.94Å; V473-Q478 HydrophobicContact CG2-CB 4.26Å; E476-Q478 PolarHBondContact O-N 3.17Å; E476-Q478 VanDerWaalsContact O-N 3.11Å
479N81.8Confident83.9Confident31 Ų3148.1 Ų48.117%0.16626%0.255CS..EExtended strand (participates in β ladder)trans-157174.3-178.961.70.1000111.7D293 T297 V471D293-N479 VanDerWaalsContact OD1-CB 3.31Å; D293-N479 WeakPolarHBondContact OD1-CB 3.4Å; D293-N479 WeakPolarHBondContact OD2-CB 3.41Å; T297-N479 WeakPolarHBondContact OG1-CA 3.46Å; V471-N479 VanDerWaalsContact CB-OD1 3.27Å; V471-N479 WeakPolarHBondContact CB-OD1 3.43Å; V471-N479 PolarHBondContact N-O 3.33Å
480Y81.3Confident84.2Confident8 Ų850.3 Ų50.33%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-98.9126.4164.8-90.9-102.3000108.4D293 F296 T297 A300 L312 L468 P470 L477 V482D293-Y480 PolarHBondContact OD1-N 2.77Å; D293-Y480 VanDerWaalsContact OD1-N 3.11Å; F296-Y480 HydrophobicContact CB-CD2 4.36Å; F296-Y480 HydrophobicContact CB-CG 4.22Å; T297-Y480 PolarHBondContact OG1-N 3.39Å; A300-Y480 HydrophobicContact CB-CD2 4.17Å; A300-Y480 HydrophobicContact CB-CE2 3.21Å; L312-Y480 HydrophobicContact CB-CE1 3.95Å; L312-Y480 WeakPolarHBondContact CB-OH 3.46Å; L312-Y480 HydrophobicContact CD2-CD1 4.18Å; L312-Y480 HydrophobicContact CD2-CE1 3.7Å; L312-Y480 HydrophobicContact CG-CE1 4.42Å; L468-Y480 HydrophobicContact CD1-CD1 3.88Å; L468-Y480 HydrophobicContact CG-CD1 3.95Å; L468-Y480 HydrophobicContact CG-CE1 4.34Å; P470-Y480 HydrophobicContact CB-CE1 4.08Å; P470-Y480 HydrophobicContact CB-CE2 4.28Å; L477-Y480 HydrophobicContact CD1-CD2 4.27Å; L477-Y480 HydrophobicContact CD1-CE2 3.95Å; L477-Y480 HydrophobicContact CD2-CD2 4.19Å; L477-Y480 HydrophobicContact CD2-CE2 3.66Å; L477-Y480 HydrophobicContact CG-CE2 4.41Å; Y480-V482 WeakPolarHBondContact O-CG2 3.34Å; Y480-V482 PolarHBondContact O-N 3.17Å
481Q77.5Confident84.4Confident22 Ų2251 Ų5110%0.10327%0.266CS..EExtended strand (participates in β ladder)trans-72.1118163.1-169.1-170.8-31.100107.5L468 Q469 V471 D483 Y495L468-Q481 WeakPolarHBondContact CA-O 3.44Å; Q469-Q481 PolarHBondContact N-O 3.35Å; Q469-Q481 PolarHBondContact O-N 2.96Å; V471-Q481 HydrophobicContact CG2-CB 4.08Å; Q481-D483 WeakPolarHBondContact CG-O 3.45Å; Q481-D483 PolarHBondContact NE2-O 2.8Å; Q481-Y495 PolarHBondContact NE2-OH 2.91Å; Q481-Y495 PolarHBondContact OE1-OH 2.96Å; Q481-Y495 VanDerWaalsContact OE1-OH 3.08Å
482V78.5Confident84.5Confident4 Ų450.9 Ų50.92%0.02428%0.275CS..  trans-111.2-10.9-177.8-168.50000111.5I289 M292 F296 F463 L468 Y480I289-V482 HydrophobicContact CD1-CB 4.11Å; M292-V482 HydrophobicContact CE-CG1 3.55Å; M292-V482 HydrophobicContact SD-CG1 4.27Å; F296-V482 HydrophobicContact CD2-CG2 4.19Å; F463-V482 HydrophobicContact CZ-CG1 3.87Å; L468-V482 HydrophobicContact CD1-CG1 4.42Å; L468-V482 HydrophobicContact CD1-CG2 4.14Å; Y480-V482 WeakPolarHBondContact O-CG2 3.34Å; Y480-V482 PolarHBondContact O-N 3.17Å
483D82.2Confident84.5Confident5 Ų551.8 Ų51.83%0.02728%0.28CS..  trans-141.8173.9-175.574.198.6000114.1W285 I289 Y353 Q481 V485 E486W285-D483 VanDerWaalsContact NE1-CG 3.29Å; W285-D483 PolarHBondContact NE1-OD1 2.89Å; W285-D483 PolarHBondContact NE1-OD2 2.67Å; I289-D483 VanDerWaalsContact CD1-OD2 3.22Å; I289-D483 WeakPolarHBondContact CD1-OD2 3.39Å; Y353-D483 WeakPolarHBondContact OH-CB 3.48Å; Q481-D483 WeakPolarHBondContact CG-O 3.45Å; Q481-D483 PolarHBondContact NE2-O 2.8Å; D483-V485 WeakPolarHBondContact OD1-CA 3.37Å; D483-V485 WeakPolarHBondContact OD1-CB 3.28Å; D483-V485 PolarHBondContact OD1-N 3.02Å; D483-E486 PolarHBondContact OD1-N 3.41Å; D483-E486 VanDerWaalsContact OD1-N 3.09Å
484L84.8Confident84.6Confident7 Ų748.5 Ų48.54%0.03726%0.261CS..SBendtrans-116.15.7-179.8-62.1177000112.5V418 Q487 Y488 K496 V501V418-L484 HydrophobicContact CG1-CB 3.6Å; V418-L484 HydrophobicContact CG1-CD1 4.25Å; L484-Q487 VanDerWaalsContact O-CG 3.27Å; L484-Q487 WeakPolarHBondContact O-CG 3.36Å; L484-Q487 PolarHBondContact O-NE2 3.39Å; L484-Q487 VanDerWaalsContact O-NE2 3.09Å; L484-Y488 WeakPolarHBondContact O-CD2 3.35Å; L484-Y488 VanDerWaalsContact O-CE2 3.27Å; L484-Y488 WeakPolarHBondContact O-CE2 3.4Å; L484-K496 HydrophobicContact CD2-CB 4.06Å; L484-K496 HydrophobicContact CD2-CD 3.78Å; L484-V501 HydrophobicContact CD1-CG1 4.15Å; L484-V501 HydrophobicContact CD1-CG2 3.73Å
485V88.2Confident84.7Confident0 Ų044.3 Ų44.30%024%0.237CC..SBendtrans-82.2-38.4-178.9173.60000110.3W285 Y353 L415 I419 D483 Q487 Y488 I489W285-V485 HydrophobicContact CG-CG1 4.18Å; Y353-V485 HydrophobicContact CD1-CG2 4.49Å; Y353-V485 HydrophobicContact CE1-CG2 3.65Å; L415-V485 HydrophobicContact CD1-CB 4.46Å; L415-V485 HydrophobicContact CD1-CG1 4.18Å; L415-V485 HydrophobicContact CD1-CG2 4.23Å; I419-V485 HydrophobicContact CD1-CG2 4.47Å; I419-V485 HydrophobicContact CG1-CG2 3.82Å; D483-V485 WeakPolarHBondContact OD1-CA 3.37Å; D483-V485 WeakPolarHBondContact OD1-CB 3.28Å; D483-V485 PolarHBondContact OD1-N 3.02Å; V485-Q487 VanDerWaalsContact C-N 3.28Å; V485-Q487 PolarHBondContact O-N 3.47Å; V485-Y488 PolarHBondContact O-N 3.44Å; V485-I489 HydrophobicContact CG1-CD1 4.36Å; V485-I489 HydrophobicContact CG1-CG2 4.12Å; V485-I489 PolarHBondContact O-N 2.87Å
486E88.3Confident84.7Confident39 Ų3943.6 Ų43.618%0.18222%0.215CC..Hα-helixtrans-48.1-47.6-178.1-168.4-180166.400113.3W285 D483 Y488 I489 R490W285-E486 HydrophobicContact CH2-CB 3.88Å; W285-E486 HydrophobicContact CH2-CG 3.52Å; W285-E486 HydrophobicContact CZ2-CB 3.46Å; W285-E486 VanDerWaalsContact CZ2-CB 3.46Å; W285-E486 HydrophobicContact CZ2-CG 3.69Å; W285-E486 HydrophobicContact CZ3-CG 4.34Å; D483-E486 PolarHBondContact OD1-N 3.41Å; D483-E486 VanDerWaalsContact OD1-N 3.09Å; E486-Y488 PolarHBondContact O-N 3.27Å; E486-Y488 VanDerWaalsContact O-N 3.11Å; E486-I489 WeakPolarHBondContact O-CG1 3.27Å; E486-I489 PolarHBondContact O-N 3.33Å; E486-I489 VanDerWaalsContact O-N 3.13Å; E486-R490 HydrophobicContact CG-CG 4.09Å; E486-R490 PolarHBondContact O-N 2.92Å; E486-R490 WeakPolarHBondContact OE1-CD 3.4Å; E486-R490 IonicContact OE1-CZ 2.81Å; E486-R490 VanDerWaalsContact OE1-CZ 3.29Å; E486-R490 IonicContact OE1-NE 2.89Å; E486-R490 IonicContact OE1-NH1 3.9Å; E486-R490 PolarHBondContact OE1-NH1 3.28Å
487Q88.5Confident84.5Confident9 Ų937 Ų374%0.04219%0.185CC..Hα-helixtrans-62.5-19-177.665.4178.8-26.200113.9L484 V485 V494 Y495 K496 T543L484-Q487 VanDerWaalsContact O-CG 3.27Å; L484-Q487 WeakPolarHBondContact O-CG 3.36Å; L484-Q487 PolarHBondContact O-NE2 3.39Å; L484-Q487 VanDerWaalsContact O-NE2 3.09Å; V485-Q487 VanDerWaalsContact C-N 3.28Å; V485-Q487 PolarHBondContact O-N 3.47Å; Q487-V494 HydrophobicContact CG-CG1 4.22Å; Q487-V494 WeakPolarHBondContact O-CG2 3.3Å; Q487-Y495 HydrophobicContact CB-CD1 4.15Å; Q487-Y495 HydrophobicContact CB-CE1 3.51Å; Q487-Y495 HydrophobicContact CG-CE1 4.44Å; Q487-Y495 VanDerWaalsContact OE1-N 3.12Å; Q487-K496 PolarHBondContact NE2-O 2.93Å; Q487-T543 VanDerWaalsContact O-CG2 3.32Å; Q487-T543 WeakPolarHBondContact O-CG2 3.28Å
488Y91.8Very high84.2Confident0 Ų037 Ų370%019%0.185CC..Hα-helixtrans-89.3-37175.8-67.7-101.7000111.6K411 E414 L415 V418 L484 V485 E486 V494 L544 A545K411-Y488 HydrophobicContact CD-CD1 4.18Å; K411-Y488 HydrophobicContact CD-CE1 4.05Å; K411-Y488 VanDerWaalsContact CE-CD1 3.48Å; K411-Y488 HydrophobicContact CG-CD1 4.26Å; E414-Y488 HydrophobicContact CB-CE1 4.43Å; E414-Y488 HydrophobicContact CG-CE1 4.03Å; E414-Y488 PolarHBondContact OE1-OH 3.15Å; L415-Y488 HydrophobicContact CB-CD1 4.13Å; L415-Y488 HydrophobicContact CB-CG 4.43Å; L415-Y488 HydrophobicContact CD1-CD1 4.43Å; L415-Y488 HydrophobicContact CD1-CD2 3.98Å; L415-Y488 HydrophobicContact CD1-CG 3.91Å; V418-Y488 HydrophobicContact CG1-CE2 4.34Å; V418-Y488 HydrophobicContact CG2-CE2 4.27Å; V418-Y488 WeakPolarHBondContact CG2-OH 3.32Å; L484-Y488 WeakPolarHBondContact O-CD2 3.35Å; L484-Y488 VanDerWaalsContact O-CE2 3.27Å; L484-Y488 WeakPolarHBondContact O-CE2 3.4Å; V485-Y488 PolarHBondContact O-N 3.44Å; E486-Y488 PolarHBondContact O-N 3.27Å; E486-Y488 VanDerWaalsContact O-N 3.11Å; Y488-V494 HydrophobicContact CE1-CG1 4.44Å; Y488-V494 HydrophobicContact CE2-CG1 4.27Å; Y488-L544 WeakPolarHBondContact O-CA 3.32Å; Y488-L544 VanDerWaalsContact O-CB 3.27Å; Y488-L544 WeakPolarHBondContact O-CB 3.49Å; Y488-L544 PolarHBondContact O-N 3.19Å; Y488-A545 PolarHBondContact O-N 2.8Å
489I92.1Very high83.6Confident10 Ų1035 Ų355%0.05118%0.176CC..Hα-helixtrans-92.6-19.6-169.763.7168.6000113.6F278 V281 W285 V485 E486 A545F278-I489 HydrophobicContact CE2-CG2 4.43Å; F278-I489 HydrophobicContact CZ-CB 4.33Å; V281-I489 HydrophobicContact CG1-CG2 3.91Å; W285-I489 HydrophobicContact CB-CD1 3.9Å; W285-I489 HydrophobicContact CD2-CD1 3.55Å; W285-I489 HydrophobicContact CE3-CD1 3.55Å; W285-I489 HydrophobicContact CG-CD1 3.71Å; W285-I489 HydrophobicContact CZ3-CD1 4.31Å; V485-I489 HydrophobicContact CG1-CD1 4.36Å; V485-I489 HydrophobicContact CG1-CG2 4.12Å; V485-I489 PolarHBondContact O-N 2.87Å; E486-I489 WeakPolarHBondContact O-CG1 3.27Å; E486-I489 PolarHBondContact O-N 3.33Å; E486-I489 VanDerWaalsContact O-N 3.13Å; I489-A545 WeakPolarHBondContact O-CB 3.34Å
490R90.3Very high83Confident117 Ų11737.1 Ų37.144%0.44219%0.189SC..SBendtrans-95.8148.2171.9-65.2-169.9173.9177.3-6.9110.1E486 T543E486-R490 HydrophobicContact CG-CG 4.09Å; E486-R490 PolarHBondContact O-N 2.92Å; E486-R490 WeakPolarHBondContact OE1-CD 3.4Å; E486-R490 IonicContact OE1-CZ 2.81Å; E486-R490 VanDerWaalsContact OE1-CZ 3.29Å; E486-R490 IonicContact OE1-NE 2.89Å; E486-R490 IonicContact OE1-NH1 3.9Å; E486-R490 PolarHBondContact OE1-NH1 3.28Å; R490-T543 WeakPolarHBondContact O-CB 3.48Å; R490-T543 VanDerWaalsContact O-CG2 3.31Å; R490-T543 WeakPolarHBondContact O-CG2 3.47Å; R490-T543 PolarHBondContact O-OG1 2.73Å
491S88.4Confident82.3Confident61 Ų6137.3 Ų37.343%0.42719%0.192SC..SBendtrans-63.7145.8171-76.90000111.4D546 K550S491-D546 VanDerWaalsContact CB-OD1 3.27Å; S491-D546 WeakPolarHBondContact CB-OD1 3.23Å; S491-D546 PolarHBondContact OG-OD1 3.17Å; S491-K550 WeakPolarHBondContact OG-CE 3.37Å; S491-K550 PolarHBondContact OG-NZ 2.92Å; S491-K550 VanDerWaalsContact OG-NZ 3.1Å
492G84.8Confident81.5Confident44 Ų4436.9 Ų36.945%0.45419%0.191SC..SBendtrans141.2-132.3-179.900000111.8T543 D546G492-T543 VanDerWaalsContact C-CG2 3.49Å; G492-T543 WeakPolarHBondContact O-CG2 3.31Å; G492-D546 PolarHBondContact N-OD2 2.91Å; G492-D546 VanDerWaalsContact N-OD2 3.09Å
493E84.8Confident80.4Confident122 Ų12244.4 Ų44.457%0.5723%0.227SC*.BIsolated β-bridgetrans-127142.7176.6-67.1-169.2-173.400111.6Y495 R541E493-Y495 PolarHBondContact O-N 2.77Å; E493-R541 WeakPolarHBondContact CA-O 3.41Å; E493-R541 IonicContact OE2-NH1 3.85Å
494V84.3Confident78.8Confident3 Ų349.5 Ų49.52%0.01826%0.263CS..  trans-80107167.3-179.10000108.4Q487 Y488 P497 R541 T543Q487-V494 HydrophobicContact CG-CG1 4.22Å; Q487-V494 WeakPolarHBondContact O-CG2 3.3Å; Y488-V494 HydrophobicContact CE1-CG1 4.44Å; Y488-V494 HydrophobicContact CE2-CG1 4.27Å; V494-P497 HydrophobicContact CG1-CB 4.06Å; V494-R541 PolarHBondContact N-O 2.83Å; V494-T543 HydrophobicContact CG2-CG2 4.19Å
495Y82.1Confident77.3Confident110 Ų11052.7 Ų52.743%0.43129%0.285SS..SBendtrans-90-23-177.951.5-89.9000113.4Q481 Q487 E493Q481-Y495 PolarHBondContact NE2-OH 2.91Å; Q481-Y495 PolarHBondContact OE1-OH 2.96Å; Q481-Y495 VanDerWaalsContact OE1-OH 3.08Å; Q487-Y495 HydrophobicContact CB-CD1 4.15Å; Q487-Y495 HydrophobicContact CB-CE1 3.51Å; Q487-Y495 HydrophobicContact CG-CE1 4.44Å; Q487-Y495 VanDerWaalsContact OE1-N 3.12Å; E493-Y495 PolarHBondContact O-N 2.77Å
496K79.6Confident75.5Confident53 Ų5356.9 Ų56.923%0.2331%0.307CS..SBendtrans-123.875.7174-80.2174.3-177177.10109.8D466 L484 Q487 V501D466-K496 PolarHBondContact O-NZ 3.47Å; L484-K496 HydrophobicContact CD2-CB 4.06Å; L484-K496 HydrophobicContact CD2-CD 3.78Å; Q487-K496 PolarHBondContact NE2-O 2.93Å; K496-V501 HydrophobicContact CB-CG2 4.3Å
497P78.7Confident73.8Confident14 Ų1464.1 Ų64.19%0.09134%0.338CS..  trans-69.6166.217632.8-37.2000110.8V494 E499 V500 V501V494-P497 HydrophobicContact CG1-CB 4.06Å; P497-E499 WeakPolarHBondContact CB-OE2 3.42Å; P497-E499 PolarHBondContact O-N 3.41Å; P497-E499 VanDerWaalsContact O-N 3.1Å; P497-V500 HydrophobicContact CG-CG2 3.99Å; P497-V500 PolarHBondContact O-N 2.68Å; P497-V501 WeakPolarHBondContact O-CG2 3.33Å; P497-V501 PolarHBondContact O-N 2.91Å; P497-V501 VanDerWaalsContact O-N 3.13Å
498L76.9Confident72.1Confident11 Ų1169.4 Ų69.46%0.05837%0.367CS..Hα-helixtrans-54.4-34.1-175.5-178.467.4000113E414 L417 V418 V500 V501 A502E414-L498 HydrophobicContact CG-CB 3.59Å; E414-L498 HydrophobicContact CG-CD2 4.32Å; E414-L498 PolarHBondContact OE1-N 3.07Å; E414-L498 VanDerWaalsContact OE1-N 3.15Å; L417-L498 HydrophobicContact CB-CD1 4.08Å; L417-L498 HydrophobicContact CB-CD2 3.87Å; L417-L498 HydrophobicContact CD1-CD2 3.54Å; L417-L498 HydrophobicContact CG-CD2 4.36Å; V418-L498 HydrophobicContact CG2-CB 4.3Å; V418-L498 HydrophobicContact CG2-CD1 3.99Å; L498-V500 VanDerWaalsContact C-N 3.28Å; L498-V500 PolarHBondContact O-N 3.44Å; L498-V501 CarbonylContact O-C 3.59Å; L498-V501 PolarHBondContact O-N 3.22Å; L498-V501 VanDerWaalsContact O-N 3.13Å; L498-A502 HydrophobicContact CD1-CB 4.18Å; L498-A502 HydrophobicContact CG-CB 4.37Å; L498-A502 VanDerWaalsContact O-CB 3.29Å; L498-A502 WeakPolarHBondContact O-CB 3.17Å; L498-A502 PolarHBondContact O-N 3.26Å
499E69.9Low70.5Confident65 Ų6571 Ų7130%0.30438%0.375SS..Hα-helixtrans-61.6-36.7178.6-62.684.917700112.5P497 Q503 R516 Y538P497-E499 WeakPolarHBondContact CB-OE2 3.42Å; P497-E499 PolarHBondContact O-N 3.41Å; P497-E499 VanDerWaalsContact O-N 3.1Å; E499-Q503 WeakPolarHBondContact O-CG 3.33Å; E499-R516 IonicContact OE1-CZ 2.65Å; E499-R516 IonicContact OE1-NH1 4Å; E499-R516 PolarHBondContact OE1-NH1 3.37Å; E499-Y538 VanDerWaalsContact OE1-CE1 3.25Å; E499-Y538 WeakPolarHBondContact OE1-CE1 3.28Å
500V70.5Confident68.8Low75 Ų7578.4 Ų78.446%0.45541%0.407SS..Hα-helixtrans-74.7-37176.11770000110.1P497 L498P497-V500 HydrophobicContact CG-CG2 3.99Å; P497-V500 PolarHBondContact O-N 2.68Å; L498-V500 VanDerWaalsContact C-N 3.28Å; L498-V500 PolarHBondContact O-N 3.44Å
501V65.6Low67.5Low13 Ų1379.6 Ų79.68%0.07942%0.418CS..Hα-helixtrans-71-38.9-179.4176.90000110.8K421 L484 K496 P497 L498K421-V501 HydrophobicContact CD-CG1 3.27Å; K421-V501 PolarHBondContact NZ-O 2.9Å; L484-V501 HydrophobicContact CD1-CG1 4.15Å; L484-V501 HydrophobicContact CD1-CG2 3.73Å; K496-V501 HydrophobicContact CB-CG2 4.3Å; P497-V501 WeakPolarHBondContact O-CG2 3.33Å; P497-V501 PolarHBondContact O-N 2.91Å; P497-V501 VanDerWaalsContact O-N 3.13Å; L498-V501 CarbonylContact O-C 3.59Å; L498-V501 PolarHBondContact O-N 3.22Å; L498-V501 VanDerWaalsContact O-N 3.13Å
502A62.1Low66.3Low12 Ų1283.7 Ų83.710%0.09942%0.424CS..THydrogen-bonded Turntrans-101.612.9-169.100000115L498 S504 S505 L506L498-A502 HydrophobicContact CD1-CB 4.18Å; L498-A502 HydrophobicContact CG-CB 4.37Å; L498-A502 VanDerWaalsContact O-CB 3.29Å; L498-A502 WeakPolarHBondContact O-CB 3.17Å; L498-A502 PolarHBondContact O-N 3.26Å; A502-S504 PolarHBondContact O-N 2.67Å; A502-S505 PolarHBondContact O-N 3.38Å; A502-L506 HydrophobicContact CB-CD1 4.45Å
503Q54.7Low65.3Low163 Ų16383.8 Ų83.876%0.76242%0.42SS*.THydrogen-bonded Turntrans-51.6-18.6-174-66.6-171.6-12.700115.1E499E499-Q503 WeakPolarHBondContact O-CG 3.33Å
504S48.9Very low64.4Low112 Ų11281.2 Ų81.278%0.78342%0.416SS*.THydrogen-bonded Turntrans-106.8-14-179.555.40000116.5A502A502-S504 PolarHBondContact O-N 2.67Å
505S52.7Low63.7Low74 Ų7486.3 Ų86.352%0.51744%0.442SS..THydrogen-bonded Turntrans-117.8-10.6-157.956.30000118.6A502A502-S505 PolarHBondContact O-N 3.38Å
506L51.2Low62.9Low87 Ų8784 Ų8446%0.45543%0.433SS..  trans-135.398-174.5-77.6143.4000112.4A502 N508 D509A502-L506 HydrophobicContact CB-CD1 4.45Å; L506-N508 PolarHBondContact O-N 3.3Å; L506-D509 HydrophobicContact CB-CB 4.12Å; L506-D509 PolarHBondContact O-N 3.12Å
507K51.9Low62.4Low191 Ų19187.5 Ų87.583%0.8345%0.448SS*.THydrogen-bonded Turntrans-53.3-33169.4-85.6-176.3176.5179.40112.3D509 K510K507-D509 PolarHBondContact O-N 3.3Å; K507-K510 PolarHBondContact O-N 2.8Å
508N53.7Low61.9Low120 Ų12088.8 Ų88.864%0.64246%0.46SS*.Hα-helixtrans-70.1-18.5-179.7-64.8-2.9000113.4L506L506-N508 PolarHBondContact O-N 3.3Å
509D56.8Low61.5Low34 Ų3490.8 Ų90.818%0.18247%0.47CS..Hα-helixtrans-83.4-13.2175.6-97.6-17.7000113L506 K507 E511 R512 A513L506-D509 HydrophobicContact CB-CB 4.12Å; L506-D509 PolarHBondContact O-N 3.12Å; K507-D509 PolarHBondContact O-N 3.3Å; D509-E511 VanDerWaalsContact C-N 3.34Å; D509-R512 PolarHBondContact O-N 3.38Å; D509-R512 WeakPolarHBondContact OD1-CD 3.47Å; D509-A513 WeakPolarHBondContact O-CB 3.38Å; D509-A513 PolarHBondContact O-N 3.33Å
510K57.6Low61.3Low165 Ų16591.2 Ų91.272%0.71747%0.472SS*.Hα-helixtrans-64.8-41.1173-73.5-169.6176.4-173.60111.7K507 S514K507-K510 PolarHBondContact O-N 2.8Å; K510-S514 VanDerWaalsContact O-CB 3.3Å; K510-S514 WeakPolarHBondContact O-CB 3.37Å; K510-S514 PolarHBondContact O-N 3.4Å; K510-S514 PolarHBondContact O-OG 3.35Å
511E62.4Low61.1Low142 Ų14292 Ų9266%0.66447%0.471SS*.Hα-helixtrans-66.3-46.1176.2-69.7179.1-178.100110.9D509 A513 S514 L515D509-E511 VanDerWaalsContact C-N 3.34Å; E511-A513 PolarHBondContact O-N 3.29Å; E511-S514 WeakPolarHBondContact CA-OG 3.48Å; E511-S514 PolarHBondContact O-N 3.21Å; E511-S514 PolarHBondContact O-OG 2.91Å; E511-L515 WeakPolarHBondContact O-CB 3.3Å; E511-L515 WeakPolarHBondContact O-CG 3.23Å; E511-L515 PolarHBondContact O-N 3.48Å
512R63.7Low61.1Low148 Ų14895.7 Ų95.756%0.55849%0.489SS*.Hα-helixtrans-62.4-42175.4-73.6-179.6172.6164.3-2.2112.8D509 S514 L515 R516D509-R512 PolarHBondContact O-N 3.38Å; D509-R512 WeakPolarHBondContact OD1-CD 3.47Å; R512-S514 VanDerWaalsContact C-N 3.35Å; R512-L515 PolarHBondContact O-N 3.28Å; R512-R516 WeakPolarHBondContact O-CB 3.05Å; R512-R516 VanDerWaalsContact O-CG 3.32Å; R512-R516 WeakPolarHBondContact O-CG 3.09Å; R512-R516 PolarHBondContact O-N 3.07Å
513A62.6Low61.2Low45 Ų4596.3 Ų96.337%0.37249%0.49SS..Hα-helixtrans-65.5-39175.600000111.2D509 E511 R516 K517D509-A513 WeakPolarHBondContact O-CB 3.38Å; D509-A513 PolarHBondContact O-N 3.33Å; E511-A513 PolarHBondContact O-N 3.29Å; A513-R516 PolarHBondContact O-N 2.9Å; A513-K517 WeakPolarHBondContact O-CB 3.1Å; A513-K517 PolarHBondContact O-N 3.31Å
514S66.5Low61.6Low69 Ų6995.3 Ų95.348%0.48349%0.491SS..Hα-helixtrans-65.8-39.8174.471.70000112.3K510 E511 R512 K517 A518K510-S514 VanDerWaalsContact O-CB 3.3Å; K510-S514 WeakPolarHBondContact O-CB 3.37Å; K510-S514 PolarHBondContact O-N 3.4Å; K510-S514 PolarHBondContact O-OG 3.35Å; E511-S514 WeakPolarHBondContact CA-OG 3.48Å; E511-S514 PolarHBondContact O-N 3.21Å; E511-S514 PolarHBondContact O-OG 2.91Å; R512-S514 VanDerWaalsContact C-N 3.35Å; S514-K517 PolarHBondContact O-N 3.38Å; S514-A518 VanDerWaalsContact O-CB 3.3Å; S514-A518 WeakPolarHBondContact O-CB 3.5Å; S514-A518 PolarHBondContact O-N 3.36Å
515L69Low62.1Low110 Ų11097.8 Ų97.858%0.57649%0.49SS*.Hα-helixtrans-66.6-43.3173.7-77.3166.7000111.4E511 R512 A518 L519E511-L515 WeakPolarHBondContact O-CB 3.3Å; E511-L515 WeakPolarHBondContact O-CG 3.23Å; E511-L515 PolarHBondContact O-N 3.48Å; R512-L515 PolarHBondContact O-N 3.28Å; L515-A518 PolarHBondContact O-N 2.99Å; L515-L519 WeakPolarHBondContact O-CB 3.46Å; L515-L519 WeakPolarHBondContact O-CG 3.48Å; L515-L519 PolarHBondContact O-N 3.07Å
516R66.8Low62.3Low62 Ų6295.3 Ų95.323%0.23447%0.473CS..Hα-helixtrans-58.9-48.5174.7-79.2178.6-178.9177.10.5110.9E499 R512 A513 A518 L519 E520E499-R516 IonicContact OE1-CZ 2.65Å; E499-R516 IonicContact OE1-NH1 4Å; E499-R516 PolarHBondContact OE1-NH1 3.37Å; R512-R516 WeakPolarHBondContact O-CB 3.05Å; R512-R516 VanDerWaalsContact O-CG 3.32Å; R512-R516 WeakPolarHBondContact O-CG 3.09Å; R512-R516 PolarHBondContact O-N 3.07Å; A513-R516 PolarHBondContact O-N 2.9Å; R516-A518 PolarHBondContact O-N 3.11Å; R516-L519 CarbonylContact O-C 3.55Å; R516-L519 WeakPolarHBondContact O-CB 3.32Å; R516-L519 PolarHBondContact O-N 2.87Å; R516-L519 VanDerWaalsContact O-N 3.17Å; R516-E520 WeakPolarHBondContact O-CB 3.4Å; R516-E520 WeakPolarHBondContact O-CG 3.41Å; R516-E520 PolarHBondContact O-N 2.8Å
517K67.6Low62.6Low126 Ų12696.8 Ų96.855%0.54848%0.481SS..Hα-helixtrans-62.1-43.3177.5-167.4-175.8180-1610111.9A513 S514 L519 E520 E521A513-K517 WeakPolarHBondContact O-CB 3.1Å; A513-K517 PolarHBondContact O-N 3.31Å; S514-K517 PolarHBondContact O-N 3.38Å; K517-L519 VanDerWaalsContact C-N 3.31Å; K517-L519 PolarHBondContact O-N 3.13Å; K517-E520 PolarHBondContact O-N 3.3Å; K517-E521 VanDerWaalsContact CE-OE1 3.24Å; K517-E521 WeakPolarHBondContact CE-OE1 3.47Å; K517-E521 IonicContact NZ-OE1 3.96Å; K517-E521 WeakPolarHBondContact O-CB 3.39Å; K517-E521 WeakPolarHBondContact O-CG 3.42Å; K517-E521 PolarHBondContact O-N 3.4Å
518A68.5Low62.7Low41 Ų4194.9 Ų94.934%0.33948%0.475SS..Hα-helixtrans-62.9-38.9175.200000111.8S514 L515 R516 I522S514-A518 VanDerWaalsContact O-CB 3.3Å; S514-A518 WeakPolarHBondContact O-CB 3.5Å; S514-A518 PolarHBondContact O-N 3.36Å; L515-A518 PolarHBondContact O-N 2.99Å; R516-A518 PolarHBondContact O-N 3.11Å; A518-I522 WeakPolarHBondContact O-CB 3.44Å; A518-I522 WeakPolarHBondContact O-CD1 3.27Å; A518-I522 WeakPolarHBondContact O-CG1 3.5Å; A518-I522 PolarHBondContact O-N 2.85Å
519L68.2Low62.8Low53 Ų5394.5 Ų94.528%0.27748%0.477SS..Hα-helixtrans-68.6-41.5175.2-73.7170.4000112L515 R516 K517 I522 I523 L535L515-L519 WeakPolarHBondContact O-CB 3.46Å; L515-L519 WeakPolarHBondContact O-CG 3.48Å; L515-L519 PolarHBondContact O-N 3.07Å; R516-L519 CarbonylContact O-C 3.55Å; R516-L519 WeakPolarHBondContact O-CB 3.32Å; R516-L519 PolarHBondContact O-N 2.87Å; R516-L519 VanDerWaalsContact O-N 3.17Å; K517-L519 VanDerWaalsContact C-N 3.31Å; K517-L519 PolarHBondContact O-N 3.13Å; L519-I522 PolarHBondContact O-N 2.83Å; L519-I523 VanDerWaalsContact O-CB 3.32Å; L519-I523 WeakPolarHBondContact O-CB 3.44Å; L519-I523 VanDerWaalsContact O-CD1 3.3Å; L519-I523 WeakPolarHBondContact O-CD1 3.43Å; L519-I523 WeakPolarHBondContact O-CG1 3.16Å; L519-I523 PolarHBondContact O-N 2.78Å; L519-L535 HydrophobicContact CD1-CD2 3.55Å; L519-L535 HydrophobicContact CD2-CD1 3.77Å; L519-L535 HydrophobicContact CD2-CD2 3.45Å; L519-L535 VanDerWaalsContact CD2-CD2 3.45Å; L519-L535 HydrophobicContact CD2-CG 4.26Å; L519-L535 HydrophobicContact CG-CD2 4.13Å
520E66.7Low62.7Low73 Ų7398.9 Ų98.934%0.34150%0.5SS..Hα-helixtrans-60.4-45173.4-75.5170-174.900110.7R516 K517 I522 I523 D524R516-E520 WeakPolarHBondContact O-CB 3.4Å; R516-E520 WeakPolarHBondContact O-CG 3.41Å; R516-E520 PolarHBondContact O-N 2.8Å; K517-E520 PolarHBondContact O-N 3.3Å; E520-I522 VanDerWaalsContact C-N 3.34Å; E520-I522 PolarHBondContact O-N 3.05Å; E520-I523 PolarHBondContact O-N 2.88Å; E520-I523 VanDerWaalsContact O-N 3.15Å; E520-D524 WeakPolarHBondContact O-CB 3.45Å; E520-D524 PolarHBondContact O-N 3.35Å
521E66Low62.9Low93 Ų9391.8 Ų91.844%0.43547%0.47SS..Hα-helixtrans-63.1-38.4175.1-73.5172.9-170.200112.1K517 Q525K517-E521 VanDerWaalsContact CE-OE1 3.24Å; K517-E521 WeakPolarHBondContact CE-OE1 3.47Å; K517-E521 IonicContact NZ-OE1 3.96Å; K517-E521 WeakPolarHBondContact O-CB 3.39Å; K517-E521 WeakPolarHBondContact O-CG 3.42Å; K517-E521 PolarHBondContact O-N 3.4Å; E521-Q525 WeakPolarHBondContact O-CB 3.49Å; E521-Q525 WeakPolarHBondContact O-CG 3.27Å; E521-Q525 PolarHBondContact O-N 2.9Å; E521-Q525 VanDerWaalsContact O-N 3.15Å
522I66.2Low63.1Low90 Ų9088.4 Ų88.446%0.46246%0.46SS..Hα-helixtrans-65.5-42.1173.3-70.8162.4000110.2A518 L519 E520 Q525 S526A518-I522 WeakPolarHBondContact O-CB 3.44Å; A518-I522 WeakPolarHBondContact O-CD1 3.27Å; A518-I522 WeakPolarHBondContact O-CG1 3.5Å; A518-I522 PolarHBondContact O-N 2.85Å; L519-I522 PolarHBondContact O-N 2.83Å; E520-I522 VanDerWaalsContact C-N 3.34Å; E520-I522 PolarHBondContact O-N 3.05Å; I522-Q525 PolarHBondContact O-N 3.34Å; I522-S526 WeakPolarHBondContact O-CB 3.19Å; I522-S526 PolarHBondContact O-N 2.93Å; I522-S526 PolarHBondContact O-OG 3.36Å
523I63.9Low63.3Low24 Ų2484.9 Ų84.912%0.12345%0.452CS..Hα-helixtrans-67-44-179.1-70.9164.2000110.7L519 E520 Q525 S526 L531 H537L519-I523 VanDerWaalsContact O-CB 3.32Å; L519-I523 WeakPolarHBondContact O-CB 3.44Å; L519-I523 VanDerWaalsContact O-CD1 3.3Å; L519-I523 WeakPolarHBondContact O-CD1 3.43Å; L519-I523 WeakPolarHBondContact O-CG1 3.16Å; L519-I523 PolarHBondContact O-N 2.78Å; E520-I523 PolarHBondContact O-N 2.88Å; E520-I523 VanDerWaalsContact O-N 3.15Å; I523-Q525 PolarHBondContact O-N 3.37Å; I523-S526 WeakPolarHBondContact CA-OG 3.38Å; I523-S526 PolarHBondContact O-N 2.86Å; I523-S526 PolarHBondContact O-OG 2.96Å; I523-L531 HydrophobicContact CD1-CD2 3.83Å; I523-L531 HydrophobicContact CG1-CD1 4.12Å; I523-L531 HydrophobicContact CG1-CD2 3.4Å; I523-L531 HydrophobicContact CG1-CG 4.03Å; I523-L531 HydrophobicContact CG2-CD1 4.3Å; I523-H537 HydrophobicContact CD1-CB 4.19Å; I523-H537 WeakPolarHBondContact CD1-ND1 3.24Å
524D62.6Low63.4Low143 Ų14385.7 Ų85.777%0.76547%0.465SS*.Hα-helixtrans-66.3-27.2177.3-75.9-10.5000112.4E520E520-D524 WeakPolarHBondContact O-CB 3.45Å; E520-D524 PolarHBondContact O-N 3.35Å
525Q60.6Low63.6Low163 Ų16385.1 Ų85.176%0.76246%0.456SS*.Hα-helixtrans-90.6-17.8177.2-70.2174.223.400113.7E521 I522 I523E521-Q525 WeakPolarHBondContact O-CB 3.49Å; E521-Q525 WeakPolarHBondContact O-CG 3.27Å; E521-Q525 PolarHBondContact O-N 2.9Å; E521-Q525 VanDerWaalsContact O-N 3.15Å; I522-Q525 PolarHBondContact O-N 3.34Å; I523-Q525 PolarHBondContact O-N 3.37Å
526S57Low64Low23 Ų2382.9 Ų82.916%0.16144%0.441CS..SBendtrans-100.6130.9-178.854.50000110I522 I523 E528I522-S526 WeakPolarHBondContact O-CB 3.19Å; I522-S526 PolarHBondContact O-N 2.93Å; I522-S526 PolarHBondContact O-OG 3.36Å; I523-S526 WeakPolarHBondContact CA-OG 3.38Å; I523-S526 PolarHBondContact O-N 2.86Å; I523-S526 PolarHBondContact O-OG 2.96Å; S526-E528 PolarHBondContact O-N 2.93Å
527D57Low64.3Low118 Ų11882.8 Ų82.863%0.63144%0.443SS*.  trans-50.9130.4162.9-152.9-11.6000107T529 L530D527-T529 CarbonylContact O-C 3.56Å; D527-T529 PolarHBondContact O-N 3.38Å; D527-L530 HydrophobicContact CB-CD1 4.33Å; D527-L530 WeakPolarHBondContact O-CB 3.12Å; D527-L530 PolarHBondContact O-N 3.13Å
528E54.2Low64.6Low151 Ų15177.5 Ų77.571%0.70642%0.42SS*.G310 helixtrans-51.7-17.5-170.4-73.3-170.2155.900113.4R403 S526 L530R403-E528 PolarHBondContact NH1-O 3.09Å; S526-E528 PolarHBondContact O-N 2.93Å; E528-L530 VanDerWaalsContact C-N 3.34Å
529T54.6Low65Low112 Ų11277.8 Ų77.869%0.68742%0.419SS*.G310 helixtrans-65.4-23.3171.858.50000115.5D527D527-T529 CarbonylContact O-C 3.56Å; D527-T529 PolarHBondContact O-N 3.38Å
530L55.7Low65.4Low126 Ų12677.1 Ų77.166%0.6642%0.418SS*.G310 helixtrans-97.2-3.4-174.2-79159.6000113.7D527 E528 P532D527-L530 HydrophobicContact CB-CD1 4.33Å; D527-L530 WeakPolarHBondContact O-CB 3.12Å; D527-L530 PolarHBondContact O-N 3.13Å; E528-L530 VanDerWaalsContact C-N 3.34Å; L530-P532 WeakPolarHBondContact O-CD 3.46Å
531L61.4Low66.3Low16 Ų1681 Ų818%0.08443%0.43CS..SBendtrans-60120.6174.1-96.2161.2000110.5R403 I523 D533R403-L531 VanDerWaalsContact NH2-CB 3.34Å; R403-L531 PolarHBondContact NH2-O 2.95Å; I523-L531 HydrophobicContact CD1-CD2 3.83Å; I523-L531 HydrophobicContact CG1-CD1 4.12Å; I523-L531 HydrophobicContact CG1-CD2 3.4Å; I523-L531 HydrophobicContact CG1-CG 4.03Å; I523-L531 HydrophobicContact CG2-CD1 4.3Å; L531-D533 PolarHBondContact O-N 3.11Å
532P67.1Low67.4Low71 Ų7178.6 Ų78.646%0.46142%0.421SS..  trans-55.3134.9177.8-2534.5000110.6L530 G534 L535L530-P532 WeakPolarHBondContact O-CD 3.46Å; P532-G534 PolarHBondContact O-N 3.32Å; P532-L535 HydrophobicContact CB-CD1 4.11Å; P532-L535 HydrophobicContact CG-CD1 3.85Å; P532-L535 PolarHBondContact O-N 2.92Å
533D66.8Low68.7Low73 Ų7374.3 Ų74.339%0.3940%0.4SS..THydrogen-bonded Turntrans-57.5-23.5-171-63-38.9000114.6R383 L399 L531R383-D533 IonicContact CZ-OD2 2.7Å; R383-D533 IonicContact NH1-OD2 2.78Å; R383-D533 VanDerWaalsContact NH2-CG 3.29Å; R383-D533 IonicContact NH2-OD1 2.79Å; R383-D533 IonicContact NH2-OD2 3.67Å; R383-D533 PolarHBondContact NH2-OD2 3.27Å; L399-D533 HydrophobicContact CD1-CB 3.77Å; L399-D533 WeakPolarHBondContact CD1-OD1 3.43Å; L399-D533 WeakPolarHBondContact CD2-OD1 3.43Å; L531-D533 PolarHBondContact O-N 3.11Å
534G66.2Low70.1Confident63 Ų6373.2 Ų73.265%0.64939%0.394SS*.THydrogen-bonded Turntrans-88.4-3178.300000115.3P532P532-G534 PolarHBondContact O-N 3.32Å
535L70.4Confident71.6Confident56 Ų5666.4 Ų66.429%0.29336%0.358SS..  trans-95.8119.5-180-97.2156.7000110.9L519 P532L519-L535 HydrophobicContact CD1-CD2 3.55Å; L519-L535 HydrophobicContact CD2-CD1 3.77Å; L519-L535 HydrophobicContact CD2-CD2 3.45Å; L519-L535 VanDerWaalsContact CD2-CD2 3.45Å; L519-L535 HydrophobicContact CD2-CG 4.26Å; L519-L535 HydrophobicContact CG-CD2 4.13Å; P532-L535 HydrophobicContact CB-CD1 4.11Å; P532-L535 HydrophobicContact CG-CD1 3.85Å; P532-L535 PolarHBondContact O-N 2.92Å
536Y77.5Confident73.2Confident64 Ų6459.8 Ų59.825%0.25133%0.328SS..  trans-96.1115.1175.5-48.8-53.1000109.4L372 G406 Q410 Y538L372-Y536 WeakPolarHBondContact CD1-OH 3.39Å; G406-Y536 VanDerWaalsContact CA-CG 3.49Å; Q410-Y536 PolarHBondContact NE2-O 3.37Å; Y536-Y538 PolarHBondContact O-N 3.23Å
537H72.7Confident75Confident60 Ų6059 Ų5928%0.27832%0.322SS..  trans-60.2131.5176.2177.769.4000110.7M407 I523M407-H537 HydrophobicContact CE-CB 3.99Å; M407-H537 WeakPolarHBondContact CG-O 3.44Å; M407-H537 HydrophobicContact SD-CB 4.44Å; I523-H537 HydrophobicContact CD1-CB 4.19Å; I523-H537 WeakPolarHBondContact CD1-ND1 3.24Å
538Y73.4Confident76.9Confident15 Ų1553.4 Ų53.46%0.05929%0.292CS..  trans-96.5119.7176.1176.5-103.9000109.1Q410 E414 E499 Y536Q410-Y538 HydrophobicContact CB-CD2 4.44Å; E414-Y538 PolarHBondContact OE1-OH 3.5Å; E414-Y538 VanDerWaalsContact OE2-CE2 3.25Å; E414-Y538 WeakPolarHBondContact OE2-CE2 3.36Å; E414-Y538 VanDerWaalsContact OE2-CZ 3.32Å; E414-Y538 PolarHBondContact OE2-OH 3.08Å; E499-Y538 VanDerWaalsContact OE1-CE1 3.25Å; E499-Y538 WeakPolarHBondContact OE1-CE1 3.28Å; Y536-Y538 PolarHBondContact O-N 3.23Å
539C77.2Confident78.8Confident47 Ų4749.7 Ų49.732%0.31827%0.274SS..  trans-109.3106173.6-172.80000110R541 T542C539-R541 VanDerWaalsContact C-N 3.31Å; C539-R541 PolarHBondContact O-N 3.09Å; C539-T542 WeakPolarHBondContact CB-OG1 3.22Å; C539-T542 PolarHBondContact O-N 2.65Å; C539-T542 PolarHBondContact SG-OG1 2.85Å
540S76.9Confident80.6Confident39 Ų3950 Ų5027%0.27327%0.266SS..THydrogen-bonded Turntrans-56.5-41.6-17656.50000113.4K411K411-S540 PolarHBondContact NZ-O 3.18Å
541R84.6Confident82.4Confident154 Ų15448.1 Ų48.158%0.58125%0.252SS*.THydrogen-bonded Turntrans-83.4-16.4-175.9-62-169.4-176.9-164.24.4115.8E493 V494 C539E493-R541 WeakPolarHBondContact CA-O 3.41Å; E493-R541 IonicContact OE2-NH1 3.85Å; V494-R541 PolarHBondContact N-O 2.83Å; C539-R541 VanDerWaalsContact C-N 3.31Å; C539-R541 PolarHBondContact O-N 3.09Å
542T89Confident84.1Confident42 Ų4247.3 Ų47.326%0.25825%0.248SC..BIsolated β-bridgetrans-74.3136.8-176.2-60.40000110.3K411 C539 D546 L547K411-T542 WeakPolarHBondContact CE-O 3.46Å; C539-T542 WeakPolarHBondContact CB-OG1 3.22Å; C539-T542 PolarHBondContact O-N 2.65Å; C539-T542 PolarHBondContact SG-OG1 2.85Å; T542-D546 HydrophobicContact CG2-CB 4.28Å; T542-L547 HydrophobicContact CG2-CD1 4.33Å; T542-L547 HydrophobicContact CG2-CD2 3.8Å; T542-L547 HydrophobicContact CG2-CG 3.68Å
543T93.3Very high85.4Confident1 Ų146.8 Ų46.81%0.00624%0.242CC..  trans-80.8156.8178.273.50000111.8Q487 R490 G492 V494 A545 D546 L547Q487-T543 VanDerWaalsContact O-CG2 3.32Å; Q487-T543 WeakPolarHBondContact O-CG2 3.28Å; R490-T543 WeakPolarHBondContact O-CB 3.48Å; R490-T543 VanDerWaalsContact O-CG2 3.31Å; R490-T543 WeakPolarHBondContact O-CG2 3.47Å; R490-T543 PolarHBondContact O-OG1 2.73Å; G492-T543 VanDerWaalsContact C-CG2 3.49Å; G492-T543 WeakPolarHBondContact O-CG2 3.31Å; V494-T543 HydrophobicContact CG2-CG2 4.19Å; T543-A545 VanDerWaalsContact C-N 3.25Å; T543-A545 PolarHBondContact O-N 2.85Å; T543-D546 PolarHBondContact O-N 3.24Å; T543-D546 WeakPolarHBondContact OG1-CB 3.36Å; T543-D546 PolarHBondContact OG1-N 2.77Å; T543-D546 PolarHBondContact OG1-OD2 2.82Å; T543-L547 WeakPolarHBondContact O-CG 3.34Å; T543-L547 PolarHBondContact O-N 3.35Å
544L93.9Very high86.7Confident1 Ų146.4 Ų46.41%0.00524%0.244CC..Hα-helixtrans-65.7-34.2174.2-172.461.8000110.8F278 T408 K411 L415 Y488 L547 I548F278-L544 HydrophobicContact CD2-CD2 4.11Å; F278-L544 HydrophobicContact CD2-CG 4.25Å; F278-L544 HydrophobicContact CE2-CB 4.13Å; F278-L544 HydrophobicContact CE2-CD2 3.79Å; F278-L544 HydrophobicContact CE2-CG 3.75Å; T408-L544 HydrophobicContact CG2-CD1 3.63Å; K411-L544 HydrophobicContact CB-CD1 4.24Å; K411-L544 HydrophobicContact CG-CB 4.41Å; K411-L544 HydrophobicContact CG-CD1 4.46Å; L415-L544 HydrophobicContact CD2-CD2 4.01Å; Y488-L544 WeakPolarHBondContact O-CA 3.32Å; Y488-L544 VanDerWaalsContact O-CB 3.27Å; Y488-L544 WeakPolarHBondContact O-CB 3.49Å; Y488-L544 PolarHBondContact O-N 3.19Å; L544-L547 PolarHBondContact O-N 3.31Å; L544-I548 HydrophobicContact CD1-CD1 3.85Å; L544-I548 HydrophobicContact CD1-CG1 4.24Å; L544-I548 HydrophobicContact CD2-CD1 4.43Å; L544-I548 HydrophobicContact CG-CD1 3.79Å; L544-I548 HydrophobicContact CG-CG1 4.45Å; L544-I548 WeakPolarHBondContact O-CG1 3.28Å; L544-I548 PolarHBondContact O-N 2.88Å
545A94.6Very high88.1Confident0 Ų044.8 Ų44.80%022%0.219CC..Hα-helixtrans-59.6-48.7173.700000112.4F278 Y488 I489 T543 L547 I548 Q549F278-A545 HydrophobicContact CE1-CB 4.19Å; F278-A545 HydrophobicContact CZ-CB 3.86Å; Y488-A545 PolarHBondContact O-N 2.8Å; I489-A545 WeakPolarHBondContact O-CB 3.34Å; T543-A545 VanDerWaalsContact C-N 3.25Å; T543-A545 PolarHBondContact O-N 2.85Å; A545-L547 VanDerWaalsContact C-N 3.31Å; A545-L547 PolarHBondContact O-N 3.36Å; A545-I548 PolarHBondContact O-N 3.21Å; A545-Q549 VanDerWaalsContact O-CB 3.28Å; A545-Q549 WeakPolarHBondContact O-CB 3.47Å; A545-Q549 PolarHBondContact O-N 3.25Å
546D94.4Very high89.3Confident24 Ų2442.6 Ų42.613%0.12821%0.208CC..Iπ-helixtrans-66.9-34.6-178.6-65.7-41.6000111.7S491 G492 T542 T543 K550 K551S491-D546 VanDerWaalsContact CB-OD1 3.27Å; S491-D546 WeakPolarHBondContact CB-OD1 3.23Å; S491-D546 PolarHBondContact OG-OD1 3.17Å; G492-D546 PolarHBondContact N-OD2 2.91Å; G492-D546 VanDerWaalsContact N-OD2 3.09Å; T542-D546 HydrophobicContact CG2-CB 4.28Å; T543-D546 PolarHBondContact O-N 3.24Å; T543-D546 WeakPolarHBondContact OG1-CB 3.36Å; T543-D546 PolarHBondContact OG1-N 2.77Å; T543-D546 PolarHBondContact OG1-OD2 2.82Å; D546-K550 WeakPolarHBondContact O-CB 3.37Å; D546-K550 PolarHBondContact O-N 3.42Å; D546-K550 WeakPolarHBondContact OD1-CD 3.23Å; D546-K550 VanDerWaalsContact OD1-CE 3.26Å; D546-K550 WeakPolarHBondContact OD1-CE 3.39Å; D546-K550 IonicContact OD1-NZ 3.02Å; D546-K550 PolarHBondContact OD1-NZ 3.17Å; D546-K551 PolarHBondContact O-N 3.04Å
547L94.8Very high90.1Very high7 Ų744.8 Ų44.84%0.03722%0.219CC..Iπ-helixtrans-65.9-51.8173.5-69.2173.1000112.3M407 T408 K411 T542 T543 L544 A545 K551 M552M407-L547 HydrophobicContact CB-CD1 4.38Å; M407-L547 HydrophobicContact CB-CD2 4.34Å; T408-L547 HydrophobicContact CG2-CB 4.44Å; K411-L547 HydrophobicContact CB-CD1 3.99Å; K411-L547 HydrophobicContact CG-CD1 4.28Å; T542-L547 HydrophobicContact CG2-CD1 4.33Å; T542-L547 HydrophobicContact CG2-CD2 3.8Å; T542-L547 HydrophobicContact CG2-CG 3.68Å; T543-L547 WeakPolarHBondContact O-CG 3.34Å; T543-L547 PolarHBondContact O-N 3.35Å; L544-L547 PolarHBondContact O-N 3.31Å; A545-L547 VanDerWaalsContact C-N 3.31Å; A545-L547 PolarHBondContact O-N 3.36Å; L547-K551 HydrophobicContact CD2-CD 4.24Å; L547-M552 WeakPolarHBondContact O-CB 3.09Å; L547-M552 PolarHBondContact O-N 3.21Å
548I95.7Very high91Very high0 Ų045.9 Ų45.90%023%0.227CC..Iπ-helixtrans-75.2-49.6-174.3-66.1176.4000111.8K271 L274 D275 F278 T408 L544 A545K271-I548 WeakPolarHBondContact CE-O 3.46Å; K271-I548 PolarHBondContact NZ-O 3.04Å; L274-I548 HydrophobicContact CD1-CD1 4.38Å; L274-I548 HydrophobicContact CD2-CG2 4.2Å; L274-I548 HydrophobicContact CG-CG2 4.22Å; D275-I548 VanDerWaalsContact OD1-CG2 3.32Å; D275-I548 WeakPolarHBondContact OD1-CG2 3.19Å; F278-I548 HydrophobicContact CB-CD1 4.3Å; F278-I548 HydrophobicContact CD2-CD1 3.69Å; F278-I548 HydrophobicContact CE2-CD1 4.25Å; F278-I548 HydrophobicContact CG-CD1 4.05Å; T408-I548 HydrophobicContact CG2-CD1 3.98Å; T408-I548 HydrophobicContact CG2-CG1 3.51Å; L544-I548 HydrophobicContact CD1-CD1 3.85Å; L544-I548 HydrophobicContact CD1-CG1 4.24Å; L544-I548 HydrophobicContact CD2-CD1 4.43Å; L544-I548 HydrophobicContact CG-CD1 3.79Å; L544-I548 HydrophobicContact CG-CG1 4.45Å; L544-I548 WeakPolarHBondContact O-CG1 3.28Å; L544-I548 PolarHBondContact O-N 2.88Å; A545-I548 PolarHBondContact O-N 3.21Å
549Q93.9Very high91.9Very high73 Ų7345.4 Ų45.434%0.34123%0.225SC..Iπ-helixtrans-89.1-24.7-168.5-61.3178.6-27.900113.2F278 A545 N553F278-Q549 HydrophobicContact CD1-CG 4.46Å; F278-Q549 HydrophobicContact CE1-CG 4.39Å; A545-Q549 VanDerWaalsContact O-CB 3.28Å; A545-Q549 WeakPolarHBondContact O-CB 3.47Å; A545-Q549 PolarHBondContact O-N 3.25Å; Q549-N553 PolarHBondContact O-ND2 3.5Å
550K93.9Very high92.7Very high117 Ų11743.7 Ų43.751%0.50921%0.212SC..Iπ-helixtrans-109.5-68.1-179.9-57.6177.9-175.3160.50112S491 D546 N553 C554S491-K550 WeakPolarHBondContact OG-CE 3.37Å; S491-K550 PolarHBondContact OG-NZ 2.92Å; S491-K550 VanDerWaalsContact OG-NZ 3.1Å; D546-K550 WeakPolarHBondContact O-CB 3.37Å; D546-K550 PolarHBondContact O-N 3.42Å; D546-K550 WeakPolarHBondContact OD1-CD 3.23Å; D546-K550 VanDerWaalsContact OD1-CE 3.26Å; D546-K550 WeakPolarHBondContact OD1-CE 3.39Å; D546-K550 IonicContact OD1-NZ 3.02Å; D546-K550 PolarHBondContact OD1-NZ 3.17Å; K550-N553 PolarHBondContact O-N 2.96Å; K550-C554 PolarHBondContact O-N 3.13Å
551K93.9Very high93.3Very high87 Ų8746.4 Ų46.438%0.37822%0.22SC..Iπ-helixtrans-62.8-52.9-171.2-167.9172.8-178.3171.60111.9T404 D546 L547 N553 C554 E555T404-K551 HydrophobicContact CG2-CB 4.11Å; T404-K551 HydrophobicContact CG2-CD 4.05Å; T404-K551 HydrophobicContact CG2-CG 3.84Å; T404-K551 WeakPolarHBondContact OG1-CE 3.43Å; D546-K551 PolarHBondContact O-N 3.04Å; L547-K551 HydrophobicContact CD2-CD 4.24Å; K551-N553 VanDerWaalsContact C-N 3.33Å; K551-N553 PolarHBondContact O-N 3.34Å; K551-C554 WeakPolarHBondContact O-CB 3.24Å; K551-C554 PolarHBondContact O-N 3.24Å; K551-C554 VanDerWaalsContact O-N 3.13Å; K551-E555 PolarHBondContact O-N 3.25Å
552M96.1Very high93.3Very high0 Ų040 Ų400%020%0.197CC..Hα-helixtrans-62-39.3179.7-172179.9-62.600112.3K271 L274 L368 L371 L401 T404 I405 T408 L547 C554 E555 I556K271-M552 HydrophobicContact CD-CG 4.33Å; K271-M552 HydrophobicContact CD-SD 3.73Å; L274-M552 HydrophobicContact CD2-CE 4.3Å; L274-M552 HydrophobicContact CD2-SD 3.81Å; L368-M552 HydrophobicContact CD2-CE 3.83Å; L371-M552 HydrophobicContact CD1-SD 3.95Å; L401-M552 HydrophobicContact CD1-CG 3.89Å; T404-M552 HydrophobicContact CG2-CB 4Å; I405-M552 HydrophobicContact CG1-CE 3.86Å; I405-M552 HydrophobicContact CG1-SD 4.45Å; T408-M552 HydrophobicContact CG2-CE 4.22Å; L547-M552 WeakPolarHBondContact O-CB 3.09Å; L547-M552 PolarHBondContact O-N 3.21Å; M552-C554 VanDerWaalsContact C-N 3.34Å; M552-C554 PolarHBondContact O-N 3.05Å; M552-E555 PolarHBondContact O-N 2.84Å; M552-I556 HydrophobicContact CG-CD1 3.86Å; M552-I556 HydrophobicContact CG-CG1 4.4Å; M552-I556 WeakPolarHBondContact O-CB 3.16Å; M552-I556 VanDerWaalsContact O-CG1 3.24Å; M552-I556 WeakPolarHBondContact O-CG1 3.08Å; M552-I556 PolarHBondContact O-N 3.11Å
553N94.7Very high92.8Very high60 Ų6041.8 Ų41.832%0.32121%0.209SC..Hα-helixtrans-63.1-39.3175.1-84-20.7000112.4K271 Q549 K550 K551 K557K271-N553 WeakPolarHBondContact CE-OD1 3.28Å; K271-N553 PolarHBondContact NZ-OD1 2.71Å; Q549-N553 PolarHBondContact O-ND2 3.5Å; K550-N553 PolarHBondContact O-N 2.96Å; K551-N553 VanDerWaalsContact C-N 3.33Å; K551-N553 PolarHBondContact O-N 3.34Å; N553-K557 WeakPolarHBondContact O-CB 3.16Å; N553-K557 PolarHBondContact O-N 3.43Å
554C94.7Very high91.4Very high65 Ų6550 Ų5044%0.43925%0.252SS..Hα-helixtrans-63.7-48.1175-169.40000111.5K550 K551 M552 K557 N558K550-C554 PolarHBondContact O-N 3.13Å; K551-C554 WeakPolarHBondContact O-CB 3.24Å; K551-C554 PolarHBondContact O-N 3.24Å; K551-C554 VanDerWaalsContact O-N 3.13Å; M552-C554 VanDerWaalsContact C-N 3.34Å; M552-C554 PolarHBondContact O-N 3.05Å; C554-K557 WeakPolarHBondContact O-CB 3.34Å; C554-K557 PolarHBondContact O-N 3.01Å; C554-K557 VanDerWaalsContact O-N 3.16Å; C554-N558 VanDerWaalsContact O-CG 3.29Å; C554-N558 PolarHBondContact O-N 3.39Å
555E94.5Very high89.6Confident28 Ų2856.4 Ų56.413%0.13129%0.286CS..Hα-helixtrans-66.8-39.3-179.6-62.7-5616400112.8L401 K551 M552 K557 N558 L559L401-E555 HydrophobicContact CB-CB 4Å; L401-E555 HydrophobicContact CD1-CB 3.93Å; L401-E555 HydrophobicContact CG-CB 4.49Å; K551-E555 PolarHBondContact O-N 3.25Å; M552-E555 PolarHBondContact O-N 2.84Å; E555-K557 VanDerWaalsContact C-N 3.29Å; E555-K557 PolarHBondContact O-N 3.26Å; E555-N558 PolarHBondContact O-N 2.98Å; E555-N558 PolarHBondContact OE2-ND2 3.22Å; E555-L559 PolarHBondContact O-N 3.17Å
556I95.9Very high87.7Confident10 Ų1065.5 Ų65.55%0.05133%0.325CS..Hα-helixtrans-60.7-41.5172.2-70.8170.7000110.3I267 K271 L401 M552 L559 I560I267-I556 HydrophobicContact CG2-CD1 4.01Å; I267-I556 HydrophobicContact CG2-CG1 3.98Å; I267-I556 HydrophobicContact CG2-CG2 4.24Å; K271-I556 HydrophobicContact CB-CD1 3.94Å; K271-I556 HydrophobicContact CD-CD1 3.94Å; K271-I556 HydrophobicContact CG-CD1 3.7Å; L401-I556 HydrophobicContact CD1-CD1 4.47Å; L401-I556 HydrophobicContact CD1-CG1 3.75Å; L401-I556 HydrophobicContact CD2-CG1 3.78Å; L401-I556 HydrophobicContact CG-CG1 4.46Å; M552-I556 HydrophobicContact CG-CD1 3.86Å; M552-I556 HydrophobicContact CG-CG1 4.4Å; M552-I556 WeakPolarHBondContact O-CB 3.16Å; M552-I556 VanDerWaalsContact O-CG1 3.24Å; M552-I556 WeakPolarHBondContact O-CG1 3.08Å; M552-I556 PolarHBondContact O-N 3.11Å; I556-L559 PolarHBondContact O-N 3.46Å; I556-I560 HydrophobicContact CG2-CD1 3.53Å; I556-I560 HydrophobicContact CG2-CG1 4.27Å; I556-I560 WeakPolarHBondContact O-CB 3.45Å; I556-I560 VanDerWaalsContact O-CG1 3.26Å; I556-I560 WeakPolarHBondContact O-CG1 3.39Å; I556-I560 PolarHBondContact O-N 3.02Å
557K93.8Very high85.9Confident111 Ų11167.2 Ų67.248%0.48334%0.34SS..Hα-helixtrans-62.7-42.6176.9-172.9-175.6175.4-172.90111.4N553 C554 E555 L559 I560 K561N553-K557 WeakPolarHBondContact O-CB 3.16Å; N553-K557 PolarHBondContact O-N 3.43Å; C554-K557 WeakPolarHBondContact O-CB 3.34Å; C554-K557 PolarHBondContact O-N 3.01Å; C554-K557 VanDerWaalsContact O-N 3.16Å; E555-K557 VanDerWaalsContact C-N 3.29Å; E555-K557 PolarHBondContact O-N 3.26Å; K557-L559 VanDerWaalsContact C-N 3.3Å; K557-L559 PolarHBondContact O-N 2.96Å; K557-I560 PolarHBondContact O-N 3.16Å; K557-K561 HydrophobicContact CD-CD 4.33Å; K557-K561 HydrophobicContact CG-CB 4.45Å; K557-K561 HydrophobicContact CG-CD 3.7Å; K557-K561 HydrophobicContact CG-CG 3.86Å; K557-K561 VanDerWaalsContact O-CB 3.29Å; K557-K561 WeakPolarHBondContact O-CB 3.49Å; K557-K561 PolarHBondContact O-N 3.5Å
558N92Very high84.5Confident83 Ų8367.5 Ų67.544%0.44434%0.341SS..Hα-helixtrans-63-35.4177.5-67.5-17.8000112.6C554 E555C554-N558 VanDerWaalsContact O-CG 3.29Å; C554-N558 PolarHBondContact O-N 3.39Å; E555-N558 PolarHBondContact O-N 2.98Å; E555-N558 PolarHBondContact OE2-ND2 3.22Å
559L92.6Very high83.4Confident5 Ų569 Ų693%0.02635%0.349CS..Hα-helixtrans-72.3-41177-175.664.8000112.3I267 V378 L382 I393 A398 L401 E555 I556 K557 R570I267-L559 HydrophobicContact CD1-CD2 4.13Å; V378-L559 HydrophobicContact CG1-CD1 3.98Å; V378-L559 HydrophobicContact CG1-CD2 4.28Å; L382-L559 HydrophobicContact CD1-CD1 4.34Å; I393-L559 HydrophobicContact CG2-CD1 4.23Å; A398-L559 HydrophobicContact CB-CD1 4.4Å; L401-L559 HydrophobicContact CD2-CD2 3.99Å; E555-L559 PolarHBondContact O-N 3.17Å; I556-L559 PolarHBondContact O-N 3.46Å; K557-L559 VanDerWaalsContact C-N 3.3Å; K557-L559 PolarHBondContact O-N 2.96Å; L559-R570 PolarHBondContact O-NH2 3.39Å
560I92.8Very high82.7Confident10 Ų1065.8 Ų65.85%0.05133%0.334CS..Hα-helixtrans-88.6-41.6-169-66-177.2000112.6V189 E191 A264 I556 K557 R570V189-I560 HydrophobicContact CG1-CD1 4.01Å; V189-I560 HydrophobicContact CG1-CG2 3.93Å; V189-I560 WeakPolarHBondContact O-CG2 3.33Å; E191-I560 PolarHBondContact N-O 3.11Å; E191-I560 VanDerWaalsContact N-O 3.09Å; A264-I560 HydrophobicContact CB-CD1 4.16Å; A264-I560 HydrophobicContact CB-CG1 3.97Å; I556-I560 HydrophobicContact CG2-CD1 3.53Å; I556-I560 HydrophobicContact CG2-CG1 4.27Å; I556-I560 WeakPolarHBondContact O-CB 3.45Å; I556-I560 VanDerWaalsContact O-CG1 3.26Å; I556-I560 WeakPolarHBondContact O-CG1 3.39Å; I556-I560 PolarHBondContact O-N 3.02Å; K557-I560 PolarHBondContact O-N 3.16Å; I560-R570 PolarHBondContact O-NH1 3.03Å
561K90.1Very high81.6Confident97 Ų9761.5 Ų61.542%0.42232%0.323SS..SBendtrans-84.6161.7-176.2-63.7-155.4177.5-156.50112.3E191 K557 R570E191-K561 WeakPolarHBondContact OE2-CA 3.14Å; E191-K561 WeakPolarHBondContact OE2-CB 3.39Å; K557-K561 HydrophobicContact CD-CD 4.33Å; K557-K561 HydrophobicContact CG-CB 4.45Å; K557-K561 HydrophobicContact CG-CD 3.7Å; K557-K561 HydrophobicContact CG-CG 3.86Å; K557-K561 VanDerWaalsContact O-CB 3.29Å; K557-K561 WeakPolarHBondContact O-CB 3.49Å; K557-K561 PolarHBondContact O-N 3.5Å; K561-R570 PolarHBondContact O-NH2 3.21Å
562L84.2Confident80.8Confident20 Ų2057.3 Ų57.311%0.10531%0.305CS..PPolyproline II helixtrans-74.8150170-64.5170000110.9E191 A194 T568 R570E191-L562 HydrophobicContact CB-CG 4.12Å; E191-L562 HydrophobicContact CG-CB 4.48Å; E191-L562 HydrophobicContact CG-CD1 3.66Å; E191-L562 HydrophobicContact CG-CG 3.68Å; E191-L562 PolarHBondContact OE2-N 3.16Å; A194-L562 HydrophobicContact CB-CD1 3.68Å; A194-L562 VanDerWaalsContact N-CD1 3.31Å; L562-T568 WeakPolarHBondContact CD1-O 3.21Å; L562-T568 HydrophobicContact CD2-CG2 3.88Å; L562-R570 HydrophobicContact CD2-CG 3.73Å
563P78.5Confident79.9Confident78 Ų7857.7 Ų57.751%0.50631%0.307SS..PPolyproline II helixtrans-55.7140.5166.9-20.232000110.3D565P563-D565 PolarHBondContact O-N 3.38Å; P563-D565 VanDerWaalsContact O-N 3.12Å
564L65Low78.9Confident175 Ų17556.8 Ų56.892%0.91630%0.302SS*.SBendtrans-65.9-13.4-175.7-78.8148.3000113.8
565D54.7Low77.8Confident134 Ų13455.6 Ų55.672%0.71729%0.291SS*.SBendtrans-113.7115.7-173.7-65.2-32000111.3P563P563-D565 PolarHBondContact O-N 3.38Å; P563-D565 VanDerWaalsContact O-N 3.12Å
566K55.5Low76.6Confident191 Ų19159.5 Ų59.583%0.8332%0.321SS*.SBendtrans89.9146.4179.2-54170.9-177.6177.50114.5T568K566-T568 PolarHBondContact O-N 2.92Å; K566-T568 PolarHBondContact O-OG1 2.86Å
567S57.6Low75.1Confident61 Ų6160.7 Ų60.743%0.42733%0.33SS..  trans-59.184.4169.855.20000109.1
568T65.2Low74.2Confident12 Ų1256.4 Ų56.47%0.07431%0.311CS..  trans-89.5123.8-175.3-53.90000107A194 L562 K566A194-T568 PolarHBondContact N-O 3.01Å; L562-T568 WeakPolarHBondContact CD1-O 3.21Å; L562-T568 HydrophobicContact CD2-CG2 3.88Å; K566-T568 PolarHBondContact O-N 2.92Å; K566-T568 PolarHBondContact O-OG1 2.86Å
569I72.5Confident73.5Confident32 Ų3253 Ų5316%0.16429%0.293CS..  trans-118.16.5-171.746.2158.6000112.6I192 A193 G571 C572 L573 I575I192-I569 CarbonylContact O-C 3.51Å; A193-I569 HydrophobicContact CB-CB 4.24Å; A193-I569 HydrophobicContact CB-CG2 4.12Å; I569-G571 PolarHBondContact O-N 3.17Å; I569-C572 PolarHBondContact O-N 3.49Å; I569-C572 PolarHBondContact O-SG 3.25Å; I569-L573 HydrophobicContact CB-CB 4.26Å; I569-L573 HydrophobicContact CD1-CB 4.15Å; I569-L573 WeakPolarHBondContact CD1-O 3.34Å; I569-L573 HydrophobicContact CG2-CB 4.1Å; I569-L573 HydrophobicContact CG2-CD1 3.88Å; I569-L573 HydrophobicContact CG2-CG 4.27Å; I569-I575 HydrophobicContact CD1-CD1 3.92Å; I569-I575 HydrophobicContact CD1-CG1 4.37Å; I569-I575 HydrophobicContact CG2-CD1 4.1Å
570R78.5Confident72.8Confident6 Ų655.4 Ų55.42%0.02330%0.302CS..THydrogen-bonded Turntrans38.140.6-176.2-60.9-174.6160.8164.6-9.6112.9E191 I192 L391 L559 I560 K561 L562 C572E191-R570 PolarHBondContact O-NH1 3.26Å; I192-R570 WeakPolarHBondContact O-CB 3.36Å; I192-R570 VanDerWaalsContact O-CG 3.29Å; I192-R570 WeakPolarHBondContact O-CG 3.4Å; L391-R570 HydrophobicContact CD2-CB 4.28Å; L391-R570 WeakPolarHBondContact CD2-O 3.27Å; L391-R570 WeakPolarHBondContact O-CG 3.1Å; L559-R570 PolarHBondContact O-NH2 3.39Å; I560-R570 PolarHBondContact O-NH1 3.03Å; K561-R570 PolarHBondContact O-NH2 3.21Å; L562-R570 HydrophobicContact CD2-CG 3.73Å; R570-C572 VanDerWaalsContact C-N 3.25Å; R570-C572 PolarHBondContact O-N 3.34Å
571G70.2Confident72.1Confident26 Ų2655.3 Ų55.327%0.26830%0.302SS..THydrogen-bonded Turntrans68.81.4-177.200000117.4G249 I569G249-G571 WeakPolarHBondContact CA-O 3.41Å; I569-G571 PolarHBondContact O-N 3.17Å
572C76.6Confident71.5Confident0 Ų051.3 Ų51.30%028%0.284CS..  trans-77.5-29.1-172.275.10000115.2I192 A193 C247 G249 F250 L257 I569 R570I192-C572 HydrophobicContact CG2-CB 4.02Å; A193-C572 WeakPolarHBondContact CB-SG 3.37Å; C247-C572 CarbonylContact C-O 3.54Å; C247-C572 VanDerWaalsContact C-O 3.28Å; C247-C572 WeakPolarHBondContact CA-O 3.32Å; G249-C572 PolarHBondContact N-O 2.97Å; F250-C572 HydrophobicContact CE1-CB 4.29Å; F250-C572 HydrophobicContact CE2-CB 4.37Å; F250-C572 HydrophobicContact CZ-CB 4.2Å; L257-C572 HydrophobicContact CD1-CB 4.4Å; I569-C572 PolarHBondContact O-N 3.49Å; I569-C572 PolarHBondContact O-SG 3.25Å; R570-C572 VanDerWaalsContact C-N 3.25Å; R570-C572 PolarHBondContact O-N 3.34Å
573L77.8Confident71.1Confident8 Ų850.4 Ų50.44%0.04228%0.28CS..  trans-109.9133.3-178-61.8178.1000111.5F184 A193 Y195 I245 C247 I569 I575F184-L573 HydrophobicContact CE2-CD1 4.28Å; F184-L573 HydrophobicContact CE2-CD2 3.95Å; F184-L573 HydrophobicContact CE2-CG 4.5Å; A193-L573 HydrophobicContact CB-CD1 4.43Å; Y195-L573 HydrophobicContact CG-CD1 4.15Å; I245-L573 HydrophobicContact CG2-CD2 4.18Å; C247-L573 HydrophobicContact CB-CD2 4.11Å; C247-L573 WeakPolarHBondContact SG-CD2 3.43Å; I569-L573 HydrophobicContact CB-CB 4.26Å; I569-L573 HydrophobicContact CD1-CB 4.15Å; I569-L573 WeakPolarHBondContact CD1-O 3.34Å; I569-L573 HydrophobicContact CG2-CB 4.1Å; I569-L573 HydrophobicContact CG2-CD1 3.88Å; I569-L573 HydrophobicContact CG2-CG 4.27Å; L573-I575 HydrophobicContact CB-CG1 4.23Å; L573-I575 PolarHBondContact O-N 2.87Å
574D73.3Confident70.9Confident41 Ų4147 Ų4722%0.21926%0.257CS..  trans-98.978.6170.8-171.1-7.2000109.4P246 S576 C577 K655P246-D574 HydrophobicContact CB-CB 4.29Å; P246-D574 PolarHBondContact O-N 3.43Å; D574-S576 PolarHBondContact O-N 3.13Å; D574-S576 PolarHBondContact OD1-N 3.5Å; D574-S576 PolarHBondContact OD1-OG 3.02Å; D574-C577 PolarHBondContact O-N 3.2Å; D574-C577 VanDerWaalsContact O-N 3.16Å; D574-C577 PolarHBondContact OD2-SG 3.48Å; D574-K655 IonicContact OD2-NZ 3.76Å; D574-K655 PolarHBondContact OD2-NZ 3.07Å
575I71.9Confident71.2Confident40 Ų4040.3 Ų40.321%0.20522%0.224CC..G310 helixtrans-60.4-29.9-175.7-58.6161.5000111.4Y195 L202 I569 L573 C577 Q578Y195-I575 HydrophobicContact CD2-CD1 3.54Å; Y195-I575 HydrophobicContact CD2-CG1 3.9Å; Y195-I575 HydrophobicContact CE2-CB 4.34Å; Y195-I575 HydrophobicContact CE2-CD1 3.57Å; Y195-I575 HydrophobicContact CE2-CG1 3.69Å; Y195-I575 HydrophobicContact CE2-CG2 3.65Å; Y195-I575 WeakPolarHBondContact OH-CG2 3.25Å; L202-I575 HydrophobicContact CD1-CG2 4.39Å; I569-I575 HydrophobicContact CD1-CD1 3.92Å; I569-I575 HydrophobicContact CD1-CG1 4.37Å; I569-I575 HydrophobicContact CG2-CD1 4.1Å; L573-I575 HydrophobicContact CB-CG1 4.23Å; L573-I575 PolarHBondContact O-N 2.87Å; I575-C577 PolarHBondContact O-N 3.17Å; I575-Q578 WeakPolarHBondContact O-CB 3.14Å; I575-Q578 PolarHBondContact O-N 3.35Å; I575-Q578 VanDerWaalsContact O-N 3.16Å
576S69Low71.8Confident109 Ų10934.6 Ų34.676%0.76220%0.197SC*.G310 helixtrans-63.9-24.1-178.675.50000113.2D574D574-S576 PolarHBondContact O-N 3.13Å; D574-S576 PolarHBondContact OD1-N 3.5Å; D574-S576 PolarHBondContact OD1-OG 3.02Å
577C65.1Low72Confident35 Ų3533.9 Ų33.924%0.23620%0.196CC..G310 helixtrans-10214.1-179.5-64.60000113P246 D574 I575 T579 K655P246-C577 HydrophobicContact CG-CB 3.82Å; D574-C577 PolarHBondContact O-N 3.2Å; D574-C577 VanDerWaalsContact O-N 3.16Å; D574-C577 PolarHBondContact OD2-SG 3.48Å; I575-C577 PolarHBondContact O-N 3.17Å; C577-T579 PolarHBondContact O-N 3.45Å; C577-K655 HydrophobicContact CB-CB 4.08Å; C577-K655 HydrophobicContact CB-CD 4.32Å
578Q76Confident72Confident22 Ų2232.2 Ų32.210%0.10319%0.185CC..  trans-62128.9177.5178.9177.1-4.600111Y195 L202 H243 K244 I245 I575Y195-Q578 PolarHBondContact OH-OE1 2.75Å; L202-Q578 VanDerWaalsContact CD1-OE1 3.29Å; H243-Q578 PolarHBondContact ND1-NE2 2.88Å; K244-Q578 WeakPolarHBondContact O-CA 3.25Å; I245-Q578 HydrophobicContact CG1-CG 3.93Å; I575-Q578 WeakPolarHBondContact O-CB 3.14Å; I575-Q578 PolarHBondContact O-N 3.35Å; I575-Q578 VanDerWaalsContact O-N 3.16Å
579T77.1Confident71.4Confident10 Ų1035.3 Ų35.36%0.06121%0.205CC..EExtended strand (participates in β ladder)trans-114.9160.6174.149.90000111.1H243 K244 C577 S656H243-T579 WeakPolarHBondContact CA-O 3.19Å; K244-T579 WeakPolarHBondContact CB-OG1 3.4Å; K244-T579 PolarHBondContact N-O 3.5Å; K244-T579 PolarHBondContact O-N 3.34Å; C577-T579 PolarHBondContact O-N 3.45Å; T579-S656 WeakPolarHBondContact CG2-O 3.42Å
580R76.7Confident70.4Confident56 Ų5638.4 Ų38.421%0.21122%0.222CC..EExtended strand (participates in β ladder)trans-138.3137.8-176.4-60.2178.5179.1-171.8-12.8110.4L202 V241 C242 H243L202-R580 VanDerWaalsContact O-CZ 3.23Å; L202-R580 PolarHBondContact O-NH1 2.82Å; L202-R580 PolarHBondContact O-NH2 2.8Å; V241-R580 HydrophobicContact CG1-CB 4.16Å; C242-R580 CarbonylContact O-C 3.57Å; C242-R580 WeakPolarHBondContact O-CA 3.49Å; H243-R580 PolarHBondContact ND1-NE 2.86Å
581Q78.8Confident69.1Low9 Ų938.8 Ų38.84%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-123.3124.5176.1-169.566.840.200109V241 C242 L583 F658V241-Q581 CarbonylContact C-O 3.6Å; V241-Q581 WeakPolarHBondContact CA-O 3.02Å; C242-Q581 PolarHBondContact N-O 2.96Å; C242-Q581 PolarHBondContact O-N 3.17Å; Q581-L583 HydrophobicContact CG-CD2 4.26Å; Q581-L583 PolarHBondContact O-N 2.82Å; Q581-F658 HydrophobicContact CB-CB 4.48Å; Q581-F658 HydrophobicContact CB-CD1 3.84Å; Q581-F658 HydrophobicContact CB-CD2 3.94Å; Q581-F658 HydrophobicContact CB-CE1 3.94Å; Q581-F658 HydrophobicContact CB-CE2 4.05Å; Q581-F658 HydrophobicContact CB-CG 3.84Å; Q581-F658 HydrophobicContact CB-CZ 4.05Å; Q581-F658 HydrophobicContact CG-CD1 3.71Å; Q581-F658 HydrophobicContact CG-CE1 3.83Å; Q581-F658 HydrophobicContact CG-CG 4.17Å; Q581-F658 HydrophobicContact CG-CZ 4.41Å
582I76.9Confident68.1Low12 Ų1240 Ų406%0.06222%0.224CC..EExtended strand (participates in β ladder)trans-77.4119.6169.8-59174000107.3Y239 V241 T585 A775Y239-I582 HydrophobicContact CD1-CD1 4.3Å; Y239-I582 HydrophobicContact CD1-CG2 4.07Å; Y239-I582 HydrophobicContact CE1-CD1 4.24Å; V241-I582 HydrophobicContact CG2-CG1 4.24Å; I582-T585 HydrophobicContact CG2-CG2 3.51Å; I582-A775 HydrophobicContact CD1-CB 4.23Å
583L76.4Confident66.5Low2 Ų246.9 Ų46.91%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-90.1-40.9178.6-62.6-175.4000112.2T228 V240 C242 Q581 L598 M630 Y632 N779T228-L583 HydrophobicContact CG2-CD1 3.77Å; V240-L583 HydrophobicContact CB-CB 4.44Å; V240-L583 HydrophobicContact CG1-CB 4.26Å; V240-L583 HydrophobicContact CG1-CD1 4.37Å; V240-L583 PolarHBondContact O-N 2.88Å; C242-L583 HydrophobicContact CB-CD1 3.86Å; C242-L583 HydrophobicContact CB-CD2 4.19Å; C242-L583 HydrophobicContact CB-CG 3.9Å; Q581-L583 HydrophobicContact CG-CD2 4.26Å; Q581-L583 PolarHBondContact O-N 2.82Å; L583-L598 HydrophobicContact CD1-CD1 4.19Å; L583-M630 HydrophobicContact CD1-SD 4.19Å; L583-Y632 HydrophobicContact CB-CE2 4.46Å; L583-N779 PolarHBondContact O-OD1 3.45Å
584L73.5Confident65.2Low5 Ų549 Ų493%0.02628%0.276CS..EExtended strand (participates in β ladder)trans-143.8140.2-176.9-167.8156.4000110.2F238 Y239 V240 M634F238-L584 HydrophobicContact CD1-CD2 3.73Å; F238-L584 HydrophobicContact CE1-CD2 3.81Å; Y239-L584 CarbonylContact C-O 3.14Å; Y239-L584 WeakPolarHBondContact CA-O 3.49Å; V240-L584 HydrophobicContact CB-CB 3.84Å; V240-L584 HydrophobicContact CG2-CB 3.82Å; V240-L584 HydrophobicContact CG2-CD2 4.4Å; V240-L584 PolarHBondContact N-O 2.57Å; V240-L584 PolarHBondContact O-N 2.62Å; L584-M634 HydrophobicContact CB-CE 4.18Å; L584-M634 HydrophobicContact CB-SD 3.75Å; L584-M634 HydrophobicContact CD1-CB 4.23Å; L584-M634 HydrophobicContact CD1-CE 3.67Å; L584-M634 HydrophobicContact CD1-CG 4.26Å; L584-M634 HydrophobicContact CD1-SD 3.26Å; L584-M634 WeakPolarHBondContact CD1-SD 3.17Å; L584-M634 HydrophobicContact CG-CE 3.55Å; L584-M634 HydrophobicContact CG-SD 3.54Å; L584-M634 VanDerWaalsContact CG-SD 3.54Å
585T71.4Confident64.5Low36 Ų3648.6 Ų48.622%0.22128%0.282CS..EExtended strand (participates in β ladder)trans-128.6140.2166.565.60000110.1F238 Y239 I582 N779F238-T585 CarbonylContact O-C 3.5Å; F238-T585 VanDerWaalsContact O-CA 3.22Å; F238-T585 WeakPolarHBondContact O-CA 3.5Å; Y239-T585 HydrophobicContact CD1-CG2 3.59Å; Y239-T585 HydrophobicContact CE1-CG2 3.52Å; I582-T585 HydrophobicContact CG2-CG2 3.51Å; T585-N779 HydrophobicContact CG2-CB 4.31Å; T585-N779 PolarHBondContact N-ND2 3.47Å; T585-N779 PolarHBondContact O-ND2 3.25Å; T585-N779 WeakPolarHBondContact OG1-CB 3.32Å; T585-N779 PolarHBondContact OG1-ND2 3.18Å
586G67.5Low64.3Low14 Ų1448.1 Ų48.114%0.14428%0.281CS..EExtended strand (participates in β ladder)trans-151.4154179.100000113.5F238F238-G586 PolarHBondContact N-O 2.9Å; F238-G586 PolarHBondContact O-N 3.33Å
587E60.6Low64.6Low175 Ų17545.2 Ų45.282%0.81826%0.256SS*.SBendtrans-91.2-16-179.3-63.7-176.7166.800113.1
588S57Low65.3Low27 Ų2745 Ų4519%0.18925%0.251CS..  trans-97118.4-174.8-174.90000111N590 L591 E637S588-N590 PolarHBondContact O-N 2.95Å; S588-N590 VanDerWaalsContact O-N 3.12Å; S588-N590 WeakPolarHBondContact OG-CB 3.46Å; S588-N590 PolarHBondContact OG-N 3.26Å; S588-L591 WeakPolarHBondContact O-CB 3.43Å; S588-L591 PolarHBondContact O-N 3.42Å; S588-L591 VanDerWaalsContact O-N 3.07Å; S588-E637 PolarHBondContact OG-OE1 3.35Å
589P52.6Low65.5Low77 Ų7744.7 Ų44.750%0.525%0.252SS..G310 helixtrans-63.9-14.6173.325.6-32.6000112.4L591 L592P589-L591 PolarHBondContact O-N 2.98Å; P589-L592 WeakPolarHBondContact O-CB 3.37Å; P589-L592 PolarHBondContact O-N 3.15Å; P589-L592 VanDerWaalsContact O-N 3.13Å
590N51Low65.7Low96 Ų9645.5 Ų45.551%0.51326%0.256SS..G310 helixtrans-63.9-19173.3-63.2-27000112.4S588 L592 N593 S594S588-N590 PolarHBondContact O-N 2.95Å; S588-N590 VanDerWaalsContact O-N 3.12Å; S588-N590 WeakPolarHBondContact OG-CB 3.46Å; S588-N590 PolarHBondContact OG-N 3.26Å; N590-L592 PolarHBondContact O-N 3.21Å; N590-N593 CarbonylContact O-C 3.51Å; N590-N593 WeakPolarHBondContact O-CA 3.27Å; N590-N593 WeakPolarHBondContact O-CB 3.45Å; N590-N593 PolarHBondContact O-N 3.1Å; N590-S594 PolarHBondContact O-N 3.13Å; N590-S594 PolarHBondContact O-OG 2.8Å
591L51.3Low66Low14 Ų1444.6 Ų44.67%0.07326%0.255CS..G310 helixtrans-62.4-26.3172.9-81.9149.3000113.4F238 S588 P589 N593 S594F238-L591 HydrophobicContact CD1-CB 3.83Å; F238-L591 HydrophobicContact CD1-CD1 4.48Å; F238-L591 HydrophobicContact CE1-CB 4Å; F238-L591 HydrophobicContact CG-CB 4.38Å; S588-L591 WeakPolarHBondContact O-CB 3.43Å; S588-L591 PolarHBondContact O-N 3.42Å; S588-L591 VanDerWaalsContact O-N 3.07Å; P589-L591 PolarHBondContact O-N 2.98Å; L591-N593 VanDerWaalsContact C-N 3.25Å; L591-N593 PolarHBondContact O-N 2.93Å; L591-S594 WeakPolarHBondContact CA-OG 3.27Å; L591-S594 CarbonylContact O-C 3.57Å
592L48.8Very low65.9Low51 Ų5145.7 Ų45.727%0.26726%0.261SS..G310 helixtrans-68-28.8171.4-91132.8000112.6L232 F238 P589 N590L232-L592 HydrophobicContact CD1-CD1 3.85Å; L232-L592 HydrophobicContact CD2-CD1 3.86Å; L232-L592 HydrophobicContact CG-CD1 3.72Å; F238-L592 HydrophobicContact CD2-CD1 3.67Å; F238-L592 HydrophobicContact CD2-CG 3.82Å; F238-L592 HydrophobicContact CE2-CD1 3.94Å; F238-L592 HydrophobicContact CE2-CD2 4.12Å; F238-L592 HydrophobicContact CE2-CG 3.54Å; F238-L592 HydrophobicContact CZ-CG 4.46Å; P589-L592 WeakPolarHBondContact O-CB 3.37Å; P589-L592 PolarHBondContact O-N 3.15Å; P589-L592 VanDerWaalsContact O-N 3.13Å; N590-L592 PolarHBondContact O-N 3.21Å
593N44.7Very low65.6Low145 Ų14545.4 Ų45.478%0.77526%0.26SS*.THydrogen-bonded Turntrans-88.4-33.5178.3-71.2-17.8000111.9N590 L591 G595N590-N593 CarbonylContact O-C 3.51Å; N590-N593 WeakPolarHBondContact O-CA 3.27Å; N590-N593 WeakPolarHBondContact O-CB 3.45Å; N590-N593 PolarHBondContact O-N 3.1Å; L591-N593 VanDerWaalsContact C-N 3.25Å; L591-N593 PolarHBondContact O-N 2.93Å; N593-G595 PolarHBondContact O-N 3.44Å; N593-G595 VanDerWaalsContact O-N 3.17Å
594S50.4Low64.9Low52 Ų5250.7 Ų50.736%0.36428%0.284SS..SBendtrans-80.791170.367.60000109.2N590 L591 V596N590-S594 PolarHBondContact O-N 3.13Å; N590-S594 PolarHBondContact O-OG 2.8Å; L591-S594 WeakPolarHBondContact CA-OG 3.27Å; L591-S594 CarbonylContact O-C 3.57Å; S594-V596 PolarHBondContact O-N 3.07Å
595G57.9Low63.5Low33 Ų3355.1 Ų55.134%0.3430%0.304SS..  trans-43.7124.8-17100000114.7N593 H597N593-G595 PolarHBondContact O-N 3.44Å; N593-G595 VanDerWaalsContact O-N 3.17Å; G595-H597 PolarHBondContact O-CD2 3.48Å; G595-H597 VanDerWaalsContact O-CD2 3.27Å; G595-H597 PolarHBondContact O-N 3.32Å
596V68.3Low61.9Low30 Ų3059.6 Ų59.618%0.18232%0.323CS..  trans-73110.5163.8179.40000106.8V214 F238 V240 S594V214-V596 HydrophobicContact CG1-CB 4.43Å; V214-V596 HydrophobicContact CG1-CG1 4.03Å; F238-V596 HydrophobicContact CE1-CG2 4.28Å; F238-V596 HydrophobicContact CZ-CG2 4.24Å; V240-V596 HydrophobicContact CG2-CG2 4.11Å; S594-V596 PolarHBondContact O-N 3.07Å
597H74.9Confident59.9Low49 Ų4962.2 Ų62.223%0.22734%0.338CS..  trans-87.4132.9172.9-62.6-86000107.9G595 Y632 T633 Q685 M687G595-H597 PolarHBondContact O-CD2 3.48Å; G595-H597 VanDerWaalsContact O-CD2 3.27Å; G595-H597 PolarHBondContact O-N 3.32Å; H597-Y632 CarbonylContact O-C 3.6Å; H597-Y632 WeakPolarHBondContact O-CA 3.44Å; H597-T633 HydrophobicContact CB-CG2 4.04Å; H597-T633 PolarHBondContact N-OG1 3.41Å; H597-T633 PolarHBondContact O-N 3Å; H597-Q685 PolarHBondContact CE1-O 2.93Å; H597-M687 HydrophobicContact CB-CE 3.77Å; H597-M687 HydrophobicContact CB-CG 4.43Å; H597-M687 WeakPolarHBondContact O-CE 3.29Å
598L80.7Confident58.3Low29 Ų2958.9 Ų58.915%0.15234%0.341CS..EExtended strand (participates in β ladder)trans-142.7131.1176.1-170.4160.6000109.3V214 S215 T228 L583 T600 M630 A631V214-L598 HydrophobicContact CG1-CB 3.89Å; V214-L598 HydrophobicContact CG1-CD1 4.24Å; S215-L598 VanDerWaalsContact CB-CD2 3.45Å; S215-L598 WeakPolarHBondContact OG-CD2 3.27Å; T228-L598 HydrophobicContact CG2-CD1 3.92Å; L583-L598 HydrophobicContact CD1-CD1 4.19Å; L598-T600 HydrophobicContact CD2-CG2 3.79Å; L598-M630 HydrophobicContact CD1-CG 4.43Å; L598-M630 HydrophobicContact CD1-SD 4.13Å; L598-M630 HydrophobicContact CD2-CG 4.13Å; L598-M630 HydrophobicContact CG-CG 4.26Å; L598-A631 CarbonylContact C-O 3.56Å; L598-A631 WeakPolarHBondContact CA-O 3.47Å
599T79.4Confident56.8Low17 Ų1766 Ų6610%0.10437%0.371CS..EExtended strand (participates in β ladder)trans-133.3147.3173.7-1700000110.1A631 M687 F689 L695T599-A631 HydrophobicContact CG2-CB 3.98Å; T599-A631 PolarHBondContact N-O 3.21Å; T599-A631 PolarHBondContact O-N 3.41Å; T599-M687 HydrophobicContact CG2-CE 4.09Å; T599-M687 HydrophobicContact CG2-CG 3.92Å; T599-M687 HydrophobicContact CG2-SD 4Å; T599-F689 HydrophobicContact CG2-CD2 3.69Å; T599-F689 HydrophobicContact CG2-CE2 3.69Å; T599-L695 HydrophobicContact CG2-CD1 3.94Å
600T80.2Confident55.7Low26 Ų2669.9 Ų69.916%0.1638%0.384CS..EExtended strand (participates in β ladder)trans-135.4148.9-177.545.70000110.8H217 L598 L629 M630H217-T600 HydrophobicContact CB-CG2 4.35Å; H217-T600 WeakPolarHBondContact CB-OG1 3.23Å; H217-T600 WeakPolarHBondContact ND1-CB 3.49Å; H217-T600 PolarHBondContact ND1-OG1 3.26Å; L598-T600 HydrophobicContact CD2-CG2 3.79Å; T600-L629 CarbonylContact C-O 3.51Å; T600-L629 WeakPolarHBondContact CA-O 3.34Å; T600-M630 HydrophobicContact CG2-CB 3.85Å; T600-M630 HydrophobicContact CG2-CE 3.78Å; T600-M630 HydrophobicContact CG2-CG 3.78Å
601I82.8Confident54.6Low37 Ų3774 Ų7419%0.1940%0.398CS..EExtended strand (participates in β ladder)trans-144.5144.1173.4-166.9162.7000111.3L629 F689I601-L629 HydrophobicContact CG2-CB 3.85Å; I601-L629 HydrophobicContact CG2-CD1 4.33Å; I601-L629 PolarHBondContact N-O 3.2Å; I601-L629 PolarHBondContact O-N 3.09Å; I601-F689 HydrophobicContact CB-CB 3.86Å; I601-F689 HydrophobicContact CB-CD2 3.77Å; I601-F689 HydrophobicContact CB-CE2 4.43Å; I601-F689 HydrophobicContact CB-CG 3.81Å; I601-F689 HydrophobicContact CD1-CB 3.67Å; I601-F689 HydrophobicContact CD1-CG 4.42Å; I601-F689 HydrophobicContact CG1-CB 4.36Å; I601-F689 HydrophobicContact CG2-CB 3.92Å; I601-F689 HydrophobicContact CG2-CD1 3.68Å; I601-F689 HydrophobicContact CG2-CD2 3.57Å; I601-F689 HydrophobicContact CG2-CE1 4.02Å; I601-F689 HydrophobicContact CG2-CE2 3.91Å; I601-F689 HydrophobicContact CG2-CG 3.45Å; I601-F689 VanDerWaalsContact CG2-CG 3.45Å; I601-F689 HydrophobicContact CG2-CZ 4.13Å
602N76.9Confident53.5Low32 Ų3278 Ų7817%0.17143%0.427CS..EExtended strand (participates in β ladder)trans-79136.5171.8-66.6-48.4000109.9H217 L218 A220 F604H217-N602 PolarHBondContact NE2-OD1 2.75Å; L218-N602 PolarHBondContact O-ND2 2.74Å; A220-N602 HydrophobicContact CB-CB 3.81Å; A220-N602 VanDerWaalsContact N-CG 3.35Å; A220-N602 PolarHBondContact N-ND2 2.9Å; A220-N602 PolarHBondContact N-OD1 2.88Å; N602-F604 HydrophobicContact CB-CE2 4.21Å; N602-F604 HydrophobicContact CB-CZ 4.47Å
603C71.3Confident52.4Low6 Ų681 Ų814%0.04145%0.453CS..EExtended strand (participates in β ladder)trans-106.4122.2-179.1-61.30000110.9P625 T627 L629 R754C603-P625 WeakPolarHBondContact O-CA 3.44Å; C603-P625 WeakPolarHBondContact O-CB 3.45Å; C603-T627 WeakPolarHBondContact CB-OG1 3.46Å; C603-T627 PolarHBondContact N-O 3.38Å; C603-L629 WeakPolarHBondContact SG-CD1 3.19Å; C603-L629 WeakPolarHBondContact SG-CG 3.32Å; C603-R754 PolarHBondContact SG-NH2 3.33Å
604F61.4Low51.6Low114 Ų11482.3 Ų82.350%0.545%0.454SS..PPolyproline II helixtrans-100.5139.3173.7-57.8-91.4000109A220 N602 E606 P625A220-F604 HydrophobicContact CB-CE1 4.02Å; A220-F604 HydrophobicContact CB-CZ 3.72Å; N602-F604 HydrophobicContact CB-CE2 4.21Å; N602-F604 HydrophobicContact CB-CZ 4.47Å; F604-E606 PolarHBondContact O-N 3.44Å; F604-P625 HydrophobicContact CD1-CB 3.55Å; F604-P625 HydrophobicContact CD1-CG 3.73Å; F604-P625 HydrophobicContact CE1-CB 3.69Å; F604-P625 HydrophobicContact CE1-CG 3.52Å; F604-P625 HydrophobicContact CG-CB 4.11Å; F604-P625 HydrophobicContact CZ-CB 4.36Å; F604-P625 HydrophobicContact CZ-CG 4.37Å
605E44.8Very low50.6Low98 Ų9887.3 Ų87.346%0.45848%0.475SS..PPolyproline II helixtrans-65.7119169.1-82174.2-174.600108.6N623 K626E605-N623 PolarHBondContact O-ND2 3.45Å; E605-K626 IonicContact OE1-NZ 3.56Å; E605-K626 PolarHBondContact OE1-NZ 2.82Å; E605-K626 IonicContact OE2-NZ 3.94Å
606E37.5Very low49.1Very low130 Ų13092.2 Ų92.261%0.60749%0.492SS*.PPolyproline II helixtrans-80.1119.2166-79.4176.615300108.3F604 A608 Q693F604-E606 PolarHBondContact O-N 3.44Å; E606-A608 PolarHBondContact O-N 2.95Å; E606-Q693 PolarHBondContact OE2-NE2 3.01Å
607S26.3Very low47.2Very low68 Ų6898.4 Ų98.448%0.47652%0.523SS..PPolyproline II helixtrans-58.1128169.4500000109.4E609S607-E609 PolarHBondContact O-N 3.13Å
608A27.2Very low45Very low105 Ų105104.8 Ų104.887%0.86855%0.55SS**THydrogen-bonded Turntrans-63.319.6-173.400000116.6E606E606-A608 PolarHBondContact O-N 2.95Å
609E25.5Very low42.4Very low176 Ų176111.1 Ų111.182%0.82258%0.584SS**THydrogen-bonded Turntrans-105.68.4-176-73.1-173.516100114.9S607 K611S607-E609 PolarHBondContact O-N 3.13Å; E609-K611 PolarHBondContact O-N 3.36Å
610M28.1Very low40Very low159 Ų159117.6 Ų117.678%0.78362%0.618SS**  trans-78.660.2171.2-76.7-166.1177.700112.4
611K27.8Very low37.5Very low182 Ų182122 Ų12279%0.79164%0.641SS**  trans-126.558.7167.5-79.4-169.3176.6-177.60110.7E609E609-K611 PolarHBondContact O-N 3.36Å
612S28.4Very low35.1Very low100 Ų100126.9 Ų126.970%0.69967%0.668SS**SBendtrans172.7132.6153.247.30000110
613S27Very low33.3Very low114 Ų114129.6 Ų129.680%0.79768%0.682SS**SBendtrans-49.5138.316440.90000111.7
614Q26.4Very low32.1Very low172 Ų172135.6 Ų135.680%0.80471%0.707SS**  trans78.8113.2-176.7-51.2179.4-0.900113.5
615I29.9Very low31.7Very low156 Ų156130.9 Ų130.980%0.869%0.688SS**  trans161.8114.4133.8-77.6151.1000109.8L617I615-L617 PolarHBondContact O-N 3.11Å
616I26Very low32.7Very low136 Ų136130.9 Ų130.970%0.69769%0.687SS**  trans11.8102.8145.3-50.1171.5000116K618I616-K618 PolarHBondContact O-N 3.01Å
617L28.4Very low34.7Very low161 Ų161125.8 Ų125.884%0.84366%0.664SS**  trans-64.499.2163.1-74.6164.8000109.7I615I615-L617 PolarHBondContact O-N 3.11Å
618K28.3Very low37.5Very low182 Ų182122.7 Ų122.779%0.79164%0.643SS**  trans-75.6122.6155.2-81.1-177.3174.8178.90107.8I616 N620I616-K618 PolarHBondContact O-N 3.01Å; K618-N620 PolarHBondContact O-N 3.37Å
619N26.9Very low40.4Very low162 Ų162117.7 Ų117.787%0.86660%0.601SS**  trans-54.3104.8167.7-89.3-12.9000109.9
620N28.6Very low43.3Very low154 Ų154109.3 Ų109.382%0.82456%0.562SS**  trans-123.1117.1159-94.4-12.1000108.2K618 N622K618-N620 PolarHBondContact O-N 3.37Å; N620-N622 PolarHBondContact O-N 3.36Å
621N29Very low46.2Very low117 Ų117101.7 Ų101.763%0.62653%0.525SS*.SBendtrans-52116.6175.7-67.9-39000110.9
622N31.7Very low48.9Very low141 Ų14193.2 Ų93.275%0.75449%0.488SS*.  trans-177.9-0.6148.4-93.8-13.9000116.7N620 K624N620-N622 PolarHBondContact O-N 3.36Å; N622-K624 VanDerWaalsContact C-N 3.35Å; N622-K624 PolarHBondContact O-N 3.09Å
623N38.7Very low51.4Low88 Ų8888.6 Ų88.647%0.47146%0.455SS..  trans-81.376.6176.6-67.8-3.4000111.6E605E605-N623 PolarHBondContact O-ND2 3.45Å
624K46.9Very low53.3Low132 Ų13284 Ų8457%0.57442%0.421SS*.  trans-79.1125.5170.9-72.6-169.6178.1-171.30110.1N622 K626N622-K624 VanDerWaalsContact C-N 3.35Å; N622-K624 PolarHBondContact O-N 3.09Å; K624-K626 PolarHBondContact O-N 3.05Å
625P52.2Low54.9Low16 Ų1676.9 Ų76.910%0.10439%0.394CS..  trans-67.4116.1170.927.3-31000109.7A220 E221 C603 F604 S651A220-P625 HydrophobicContact CB-CB 4.11Å; A220-P625 HydrophobicContact CB-CG 3.61Å; E221-P625 HydrophobicContact CG-CG 4.05Å; C603-P625 WeakPolarHBondContact O-CA 3.44Å; C603-P625 WeakPolarHBondContact O-CB 3.45Å; F604-P625 HydrophobicContact CD1-CB 3.55Å; F604-P625 HydrophobicContact CD1-CG 3.73Å; F604-P625 HydrophobicContact CE1-CB 3.69Å; F604-P625 HydrophobicContact CE1-CG 3.52Å; F604-P625 HydrophobicContact CG-CB 4.11Å; F604-P625 HydrophobicContact CZ-CB 4.36Å; F604-P625 HydrophobicContact CZ-CG 4.37Å; P625-S651 PolarHBondContact O-OG 3.1Å
626K65.2Low56.1Low97 Ų9771.6 Ų71.642%0.42237%0.368SS..  trans-98.4-14.5-176.1-71.7176.7-170.1148.90114.1E605 K624 N650 S651E605-K626 IonicContact OE1-NZ 3.56Å; E605-K626 PolarHBondContact OE1-NZ 2.82Å; E605-K626 IonicContact OE2-NZ 3.94Å; K624-K626 PolarHBondContact O-N 3.05Å; K626-N650 PolarHBondContact O-OD1 3.47Å; K626-S651 PolarHBondContact O-N 3.28Å; K626-S651 PolarHBondContact O-OG 3.37Å
627T80.4Confident57.1Low23 Ų2372 Ų7214%0.14137%0.367CS..EExtended strand (participates in β ladder)trans-141153.7-169.661.90000113.8C603 E648 L649C603-T627 WeakPolarHBondContact CB-OG1 3.46Å; C603-T627 PolarHBondContact N-O 3.38Å; T627-E648 WeakPolarHBondContact CB-OE1 3.31Å; T627-E648 HydrophobicContact CG2-CG 3.93Å; T627-E648 PolarHBondContact OG1-OE1 3.06Å; T627-L649 CarbonylContact C-O 3.59Å; T627-L649 WeakPolarHBondContact CA-O 2.98Å; T627-L649 WeakPolarHBondContact CB-O 3.08Å
628I84.5Confident58Low3 Ų373.9 Ų73.92%0.01537%0.368CS..EExtended strand (participates in β ladder)trans-113.5121.2172.3-58.2168.4000107L226 L649L226-I628 HydrophobicContact CD1-CD1 3.88Å; L226-I628 HydrophobicContact CD1-CG2 4.24Å; L226-I628 HydrophobicContact CG-CD1 4.46Å; I628-L649 HydrophobicContact CB-CB 4.4Å; I628-L649 PolarHBondContact N-O 3.4Å; I628-L649 PolarHBondContact O-N 2.76Å
629L87.8Confident58.9Low0 Ų067.3 Ų67.30%035%0.345CS..EExtended strand (participates in β ladder)trans-84.2134.6167.5-78174.8000109.1T600 I601 C603 T646 I647 E648 F689 R754 L757T600-L629 CarbonylContact C-O 3.51Å; T600-L629 WeakPolarHBondContact CA-O 3.34Å; I601-L629 HydrophobicContact CG2-CB 3.85Å; I601-L629 HydrophobicContact CG2-CD1 4.33Å; I601-L629 PolarHBondContact N-O 3.2Å; I601-L629 PolarHBondContact O-N 3.09Å; C603-L629 WeakPolarHBondContact SG-CD1 3.19Å; C603-L629 WeakPolarHBondContact SG-CG 3.32Å; L629-T646 HydrophobicContact CD2-CG2 4.4Å; L629-I647 WeakPolarHBondContact CA-O 3.42Å; L629-E648 HydrophobicContact CD2-CB 3.73Å; L629-E648 HydrophobicContact CD2-CG 3.95Å; L629-F689 HydrophobicContact CB-CE1 4.38Å; L629-F689 HydrophobicContact CB-CE2 4.47Å; L629-F689 HydrophobicContact CB-CZ 3.95Å; L629-F689 HydrophobicContact CD1-CE1 4.33Å; L629-R754 VanDerWaalsContact CD1-NH2 3.33Å; L629-L757 HydrophobicContact CD1-CD1 4.5Å; L629-L757 HydrophobicContact CD2-CD1 3.55Å
630M88.1Confident60Low0 Ų061.1 Ų61.10%032%0.32CS..EExtended strand (participates in β ladder)trans-128.3124.2175.3180-179-74.200108.5L226 L583 L598 T600 Y632 T646 I647 L649L226-M630 HydrophobicContact CD1-CE 4Å; L583-M630 HydrophobicContact CD1-SD 4.19Å; L598-M630 HydrophobicContact CD1-CG 4.43Å; L598-M630 HydrophobicContact CD1-SD 4.13Å; L598-M630 HydrophobicContact CD2-CG 4.13Å; L598-M630 HydrophobicContact CG-CG 4.26Å; T600-M630 HydrophobicContact CG2-CB 3.85Å; T600-M630 HydrophobicContact CG2-CE 3.78Å; T600-M630 HydrophobicContact CG2-CG 3.78Å; M630-Y632 HydrophobicContact CG-CD1 4.17Å; M630-Y632 HydrophobicContact SD-CD1 4.37Å; M630-T646 CarbonylContact O-C 3.55Å; M630-T646 WeakPolarHBondContact O-CA 3.02Å; M630-I647 HydrophobicContact CB-CD1 4.49Å; M630-I647 HydrophobicContact CB-CG1 3.9Å; M630-I647 HydrophobicContact CG-CG1 4.49Å; M630-I647 PolarHBondContact N-O 3.33Å; M630-I647 PolarHBondContact O-N 2.93Å; M630-I647 HydrophobicContact SD-CD1 4.27Å; M630-L649 HydrophobicContact CE-CD1 4.24Å
631A87.8Confident61.4Low0 Ų054.4 Ų54.40%028%0.283CS..EExtended strand (participates in β ladder)trans-114130.7171.900000108.9L598 T599 L644 L645 T646 M687 F689 L695L598-A631 CarbonylContact C-O 3.56Å; L598-A631 WeakPolarHBondContact CA-O 3.47Å; T599-A631 HydrophobicContact CG2-CB 3.98Å; T599-A631 PolarHBondContact N-O 3.21Å; T599-A631 PolarHBondContact O-N 3.41Å; A631-L644 HydrophobicContact CB-CD1 4.19Å; A631-L645 CarbonylContact C-O 3.56Å; A631-L645 VanDerWaalsContact CA-O 3.26Å; A631-L645 WeakPolarHBondContact CA-O 3.34Å; A631-T646 HydrophobicContact CB-CG2 4.45Å; A631-M687 HydrophobicContact CB-CE 4.43Å; A631-M687 HydrophobicContact CB-SD 4.34Å; A631-M687 WeakPolarHBondContact O-CE 3.42Å; A631-F689 HydrophobicContact CB-CE2 4.09Å; A631-F689 HydrophobicContact CB-CZ 3.88Å; A631-L695 HydrophobicContact CB-CD2 4.18Å
632Y85.1Confident62.9Low4 Ų450.5 Ų50.52%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-144.9149.1-179.962.8-81.7000112.4L583 H597 M630 M634 L645 I647L583-Y632 HydrophobicContact CB-CE2 4.46Å; H597-Y632 CarbonylContact O-C 3.6Å; H597-Y632 WeakPolarHBondContact O-CA 3.44Å; M630-Y632 HydrophobicContact CG-CD1 4.17Å; M630-Y632 HydrophobicContact SD-CD1 4.37Å; Y632-M634 HydrophobicContact CD2-CG 4.42Å; Y632-M634 HydrophobicContact CD2-SD 4.34Å; Y632-M634 HydrophobicContact CE2-CG 4.16Å; Y632-M634 HydrophobicContact CE2-SD 3.87Å; Y632-L645 HydrophobicContact CD1-CB 4.29Å; Y632-L645 HydrophobicContact CD2-CB 4.42Å; Y632-L645 HydrophobicContact CE1-CB 3.84Å; Y632-L645 HydrophobicContact CE2-CB 3.99Å; Y632-L645 HydrophobicContact CE2-CD2 4.04Å; Y632-L645 HydrophobicContact CE2-CG 4.47Å; Y632-L645 PolarHBondContact N-O 3.41Å; Y632-L645 PolarHBondContact O-N 2.79Å; Y632-L645 WeakPolarHBondContact OH-CD2 3.34Å; Y632-I647 HydrophobicContact CE1-CD1 4Å; Y632-I647 HydrophobicContact CE1-CG1 4.21Å; Y632-I647 HydrophobicContact CE1-CG2 4.45Å
633T80.2Confident64.9Low2 Ų243.9 Ų43.91%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-87.5146.5174.956.50000111.9H597 N642 L644 L684H597-T633 HydrophobicContact CB-CG2 4.04Å; H597-T633 PolarHBondContact N-OG1 3.41Å; H597-T633 PolarHBondContact O-N 3Å; T633-N642 HydrophobicContact CG2-CB 4.26Å; T633-L644 HydrophobicContact CG2-CD1 4.47Å; T633-L684 HydrophobicContact CG2-CD2 3.36Å
634M67.5Low67.1Low17 Ų1739.8 Ų39.88%0.08421%0.205CC..EExtended strand (participates in β ladder)trans-111.4121166.8-67.3-78.1-57.600108.3L584 Y632 D636 N642 S643 L645 N779L584-M634 HydrophobicContact CB-CE 4.18Å; L584-M634 HydrophobicContact CB-SD 3.75Å; L584-M634 HydrophobicContact CD1-CB 4.23Å; L584-M634 HydrophobicContact CD1-CE 3.67Å; L584-M634 HydrophobicContact CD1-CG 4.26Å; L584-M634 HydrophobicContact CD1-SD 3.26Å; L584-M634 WeakPolarHBondContact CD1-SD 3.17Å; L584-M634 HydrophobicContact CG-CE 3.55Å; L584-M634 HydrophobicContact CG-SD 3.54Å; L584-M634 VanDerWaalsContact CG-SD 3.54Å; Y632-M634 HydrophobicContact CD2-CG 4.42Å; Y632-M634 HydrophobicContact CD2-SD 4.34Å; Y632-M634 HydrophobicContact CE2-CG 4.16Å; Y632-M634 HydrophobicContact CE2-SD 3.87Å; M634-D636 PolarHBondContact O-N 2.9Å; M634-N642 WeakPolarHBondContact O-CA 3.45Å; M634-N642 VanDerWaalsContact O-CB 3.28Å; M634-N642 WeakPolarHBondContact O-CB 3.45Å; M634-S643 PolarHBondContact N-O 2.94Å; M634-L645 HydrophobicContact CB-CD1 4.22Å; M634-L645 HydrophobicContact CG-CD1 3.45Å; M634-L645 VanDerWaalsContact CG-CD1 3.45Å; M634-L645 HydrophobicContact CG-CD2 4.41Å; M634-N779 WeakPolarHBondContact CE-OD1 3.44Å
635G60.2Low68.9Low23 Ų2333.6 Ų33.624%0.23718%0.178CC..  trans-72111.9173.500000110.3N642G635-N642 WeakPolarHBondContact CA-OD1 3.26Å
636D54.2Low70.5Confident46 Ų4632.9 Ų32.925%0.24617%0.174CC..  trans-117.5105.9167.7-168.3-21.3000106.3M634 K638 S639 R783M634-D636 PolarHBondContact O-N 2.9Å; D636-K638 PolarHBondContact O-N 2.94Å; D636-K638 PolarHBondContact OD1-N 3.27Å; D636-S639 PolarHBondContact O-N 2.85Å; D636-S639 VanDerWaalsContact O-N 3.13Å; D636-R783 IonicContact OD2-CZ 3.67Å; D636-R783 IonicContact OD2-NH1 3.35Å; D636-R783 PolarHBondContact OD2-NH1 3.34Å; D636-R783 IonicContact OD2-NH2 2.69Å; D636-R783 PolarHBondContact OD2-NH2 3.38Å
637E47.6Very low71.4Confident145 Ų14528.2 Ų28.268%0.67815%0.153SC*.THydrogen-bonded Turntrans-54.9-16.4-178.4-69.2-175.3175.700112.4S588S588-E637 PolarHBondContact OG-OE1 3.35Å
638K46.7Very low71.7Confident199 Ų19928 Ų2887%0.86515%0.151SC*.THydrogen-bonded Turntrans-93.6-18.8-176.6-63-178.9-178.81740114.8D636D636-K638 PolarHBondContact O-N 2.94Å; D636-K638 PolarHBondContact OD1-N 3.27Å
639S47.8Very low71.6Confident44 Ų4428.3 Ų28.331%0.30815%0.152SC..SBendtrans-120.999.2178.560.20000108.6D636 F641D636-S639 PolarHBondContact O-N 2.85Å; D636-S639 VanDerWaalsContact O-N 3.13Å; S639-F641 CarbonylContact O-C 3.58Å; S639-F641 PolarHBondContact O-N 3.17Å
640G50.3Low71.1Confident33 Ų3330 Ų3034%0.3416%0.161SC..SBendtrans-63.6-4.1-167.400000116.6Y682G640-Y682 CarbonylContact C-O 3.56Å
641F57Low70.3Confident13 Ų1330.3 Ų30.36%0.05716%0.163CC..SBendtrans-95.5113.9153.3-168.9-95.3000109S639 S643 L644 L668 Y682 L684 V699S639-F641 CarbonylContact O-C 3.58Å; S639-F641 PolarHBondContact O-N 3.17Å; F641-S643 PolarHBondContact O-N 3.02Å; F641-S643 VanDerWaalsContact O-N 3.09Å; F641-L644 HydrophobicContact CE1-CB 4.32Å; F641-L668 HydrophobicContact CD1-CB 4.22Å; F641-L668 HydrophobicContact CD2-CB 4.12Å; F641-L668 HydrophobicContact CD2-CD2 4.37Å; F641-L668 HydrophobicContact CE1-CB 4.27Å; F641-L668 HydrophobicContact CE2-CB 4.17Å; F641-L668 HydrophobicContact CE2-CD2 4.16Å; F641-L668 HydrophobicContact CG-CB 4.15Å; F641-L668 HydrophobicContact CZ-CB 4.25Å; F641-Y682 WeakPolarHBondContact CA-O 3.5Å; F641-Y682 WeakPolarHBondContact CB-O 3.11Å; F641-Y682 WeakPolarHBondContact CD2-O 3.09Å; F641-Y682 PolarHBondContact N-O 3.34Å; F641-Y682 VanDerWaalsContact N-O 3.1Å; F641-L684 HydrophobicContact CE2-CB 3.91Å; F641-L684 HydrophobicContact CE2-CD1 4.41Å; F641-L684 HydrophobicContact CZ-CB 4.25Å; F641-L684 HydrophobicContact CZ-CD1 4.43Å; F641-V699 HydrophobicContact CE2-CG1 4.41Å; F641-V699 HydrophobicContact CE2-CG2 4.29Å
642N62Low69.2Low34 Ų3434 Ų3418%0.18218%0.183CC..  trans-56.3117170.9-70.4-20000108.6T633 M634 G635 L644T633-N642 HydrophobicContact CG2-CB 4.26Å; M634-N642 WeakPolarHBondContact O-CA 3.45Å; M634-N642 VanDerWaalsContact O-CB 3.28Å; M634-N642 WeakPolarHBondContact O-CB 3.45Å; G635-N642 WeakPolarHBondContact CA-OD1 3.26Å; N642-L644 PolarHBondContact O-N 3.02Å
643S73.7Confident67.9Low3 Ų334.6 Ų34.62%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-48.1128.4174.3-73.20000110M634 F641 E665M634-S643 PolarHBondContact N-O 2.94Å; F641-S643 PolarHBondContact O-N 3.02Å; F641-S643 VanDerWaalsContact O-N 3.09Å; S643-E665 WeakPolarHBondContact CB-OE1 3.28Å; S643-E665 PolarHBondContact OG-OE1 3.4Å
644L83.5Confident67Low1 Ų140.9 Ų40.91%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-96.7108.3179.3173.566.8000108.8A631 T633 F641 N642 L666 M687 L695 L697A631-L644 HydrophobicContact CB-CD1 4.19Å; T633-L644 HydrophobicContact CG2-CD1 4.47Å; F641-L644 HydrophobicContact CE1-CB 4.32Å; N642-L644 PolarHBondContact O-N 3.02Å; L644-L666 HydrophobicContact CB-CB 4.2Å; L644-L666 HydrophobicContact CD2-CD1 4.12Å; L644-L666 PolarHBondContact N-O 2.75Å; L644-L666 PolarHBondContact O-N 2.75Å; L644-M687 HydrophobicContact CD1-CE 4.01Å; L644-M687 HydrophobicContact CD1-SD 3.47Å; L644-M687 WeakPolarHBondContact CD1-SD 3.27Å; L644-L695 HydrophobicContact CD2-CD2 3.91Å; L644-L697 HydrophobicContact CD2-CD1 4.27Å; L644-L697 HydrophobicContact CD2-CD2 4.07Å
645L84.8Confident66.5Low3 Ų344.4 Ų44.42%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-89.3129.9174.9-77.574.1000108.9A631 Y632 M634 E665 I782 L786A631-L645 CarbonylContact C-O 3.56Å; A631-L645 VanDerWaalsContact CA-O 3.26Å; A631-L645 WeakPolarHBondContact CA-O 3.34Å; Y632-L645 HydrophobicContact CD1-CB 4.29Å; Y632-L645 HydrophobicContact CD2-CB 4.42Å; Y632-L645 HydrophobicContact CE1-CB 3.84Å; Y632-L645 HydrophobicContact CE2-CB 3.99Å; Y632-L645 HydrophobicContact CE2-CD2 4.04Å; Y632-L645 HydrophobicContact CE2-CG 4.47Å; Y632-L645 PolarHBondContact N-O 3.41Å; Y632-L645 PolarHBondContact O-N 2.79Å; Y632-L645 WeakPolarHBondContact OH-CD2 3.34Å; M634-L645 HydrophobicContact CB-CD1 4.22Å; M634-L645 HydrophobicContact CG-CD1 3.45Å; M634-L645 VanDerWaalsContact CG-CD1 3.45Å; M634-L645 HydrophobicContact CG-CD2 4.41Å; L645-E665 HydrophobicContact CD1-CG 4.06Å; L645-E665 HydrophobicContact CG-CB 4.47Å; L645-E665 HydrophobicContact CG-CG 4.37Å; L645-I782 HydrophobicContact CD2-CG2 4.06Å; L645-L786 HydrophobicContact CD2-CD1 3.86Å; L645-L786 HydrophobicContact CG-CD1 4.28Å
646T85.4Confident66.4Low0 Ų045.7 Ų45.70%024%0.242CC..EExtended strand (participates in β ladder)trans-117.1125.4169.2-55.80000109L629 M630 A631 G663 V664 I753 L757L629-T646 HydrophobicContact CD2-CG2 4.4Å; M630-T646 CarbonylContact O-C 3.55Å; M630-T646 WeakPolarHBondContact O-CA 3.02Å; A631-T646 HydrophobicContact CB-CG2 4.45Å; T646-G663 CarbonylContact O-C 3.56Å; T646-G663 WeakPolarHBondContact O-CA 3.28Å; T646-V664 PolarHBondContact N-O 2.79Å; T646-V664 PolarHBondContact O-N 3.23Å; T646-I753 HydrophobicContact CG2-CD1 3.96Å; T646-I753 HydrophobicContact CG2-CG1 3.9Å; T646-L757 HydrophobicContact CG2-CD1 4.25Å
647I85.3Confident66.9Low0 Ų047.8 Ų47.80%025%0.25CS..EExtended strand (participates in β ladder)trans-126.1149.1179.263.1175.5000110.6L629 M630 Y632 L649 I660 N662 L786L629-I647 WeakPolarHBondContact CA-O 3.42Å; M630-I647 HydrophobicContact CB-CD1 4.49Å; M630-I647 HydrophobicContact CB-CG1 3.9Å; M630-I647 HydrophobicContact CG-CG1 4.49Å; M630-I647 PolarHBondContact N-O 3.33Å; M630-I647 PolarHBondContact O-N 2.93Å; M630-I647 HydrophobicContact SD-CD1 4.27Å; Y632-I647 HydrophobicContact CE1-CD1 4Å; Y632-I647 HydrophobicContact CE1-CG1 4.21Å; Y632-I647 HydrophobicContact CE1-CG2 4.45Å; I647-L649 HydrophobicContact CD1-CD2 4.08Å; I647-L649 HydrophobicContact CD1-CG 4.42Å; I647-I660 HydrophobicContact CB-CG2 4.16Å; I647-I660 HydrophobicContact CD1-CD1 4.22Å; I647-I660 HydrophobicContact CG2-CG2 4.4Å; I647-N662 CarbonylContact C-O 3.42Å; I647-N662 WeakPolarHBondContact CA-O 3.42Å; I647-L786 HydrophobicContact CG2-CD1 4.18Å
648E85.5Confident68Low17 Ų1741.9 Ų41.98%0.07922%0.222CC..EExtended strand (participates in β ladder)trans-111.9116.2175.6-170.9163.7-153.800109.8T627 L629 M661 N662 R754T627-E648 WeakPolarHBondContact CB-OE1 3.31Å; T627-E648 HydrophobicContact CG2-CG 3.93Å; T627-E648 PolarHBondContact OG1-OE1 3.06Å; L629-E648 HydrophobicContact CD2-CB 3.73Å; L629-E648 HydrophobicContact CD2-CG 3.95Å; E648-M661 PolarHBondContact O-N 3.35Å; E648-N662 HydrophobicContact CB-CB 4.26Å; E648-N662 PolarHBondContact N-O 2.85Å; E648-R754 VanDerWaalsContact CD-NH1 3.35Å; E648-R754 IonicContact OE1-CZ 3.84Å; E648-R754 IonicContact OE1-NH1 2.75Å; E648-R754 PolarHBondContact OE1-NH1 3.12Å; E648-R754 IonicContact OE1-NH2 3.84Å; E648-R754 IonicContact OE2-NH1 3.53Å; E648-R754 PolarHBondContact OE2-NH1 2.86Å
649L82.5Confident69.3Low10 Ų1037.1 Ų37.15%0.05220%0.202CC..EExtended strand (participates in β ladder)trans-99138.7-178.2-60174.1000110.5L226 T627 I628 M630 I647 S651 F658 I660L226-L649 HydrophobicContact CD1-CD1 3.84Å; T627-L649 CarbonylContact C-O 3.59Å; T627-L649 WeakPolarHBondContact CA-O 2.98Å; T627-L649 WeakPolarHBondContact CB-O 3.08Å; I628-L649 HydrophobicContact CB-CB 4.4Å; I628-L649 PolarHBondContact N-O 3.4Å; I628-L649 PolarHBondContact O-N 2.76Å; M630-L649 HydrophobicContact CE-CD1 4.24Å; I647-L649 HydrophobicContact CD1-CD2 4.08Å; I647-L649 HydrophobicContact CD1-CG 4.42Å; L649-S651 PolarHBondContact O-N 2.99Å; L649-F658 HydrophobicContact CD1-CE1 3.97Å; L649-F658 HydrophobicContact CD1-CE2 4.35Å; L649-F658 HydrophobicContact CD1-CZ 3.59Å; L649-F658 HydrophobicContact CD2-CD1 3.85Å; L649-F658 HydrophobicContact CD2-CE1 3.32Å; L649-F658 HydrophobicContact CD2-CZ 3.86Å; L649-F658 HydrophobicContact CG-CE1 4.3Å; L649-F658 HydrophobicContact CG-CZ 4.39Å; L649-I660 HydrophobicContact CD2-CG1 3.85Å
650N77.8Confident70.7Confident36 Ų3635.5 Ų35.519%0.19319%0.19CC..EExtended strand (participates in β ladder)trans-80.5117.4174.1-174.8-11.5000111.1K626 N652 S653 K659 M661K626-N650 PolarHBondContact O-OD1 3.47Å; N650-N652 VanDerWaalsContact C-N 3.29Å; N650-N652 PolarHBondContact O-N 3.2Å; N650-N652 PolarHBondContact OD1-N 3.12Å; N650-S653 PolarHBondContact O-OG 2.82Å; N650-S653 PolarHBondContact OD1-N 3.3Å; N650-K659 PolarHBondContact N-O 2.84Å; N650-M661 HydrophobicContact CB-CG 3.84Å; N650-M661 HydrophobicContact CB-SD 3.98Å
651S70.6Confident71.9Confident6 Ų637.5 Ų37.54%0.04219%0.191CC..THydrogen-bonded Turntrans-75.6-14179.764.60000114.1N223 I224 P625 K626 L649N223-S651 PolarHBondContact ND2-O 3.16Å; I224-S651 WeakPolarHBondContact CD1-O 3.48Å; P625-S651 PolarHBondContact O-OG 3.1Å; K626-S651 PolarHBondContact O-N 3.28Å; K626-S651 PolarHBondContact O-OG 3.37Å; L649-S651 PolarHBondContact O-N 2.99Å
652N65.9Low73.1Confident77 Ų7739.1 Ų39.141%0.41220%0.2SC..THydrogen-bonded Turntrans-112.94.8-175.2-66.1-5.1000112.9N650N650-N652 VanDerWaalsContact C-N 3.29Å; N650-N652 PolarHBondContact O-N 3.2Å; N650-N652 PolarHBondContact OD1-N 3.12Å
653S57.6Low74.1Confident18 Ų1837.5 Ų37.513%0.12619%0.192CC..SBendtrans-64.9144.4175.5530000111.3K244 N650 K655K244-S653 PolarHBondContact NZ-OG 3.24Å; N650-S653 PolarHBondContact O-OG 2.82Å; N650-S653 PolarHBondContact OD1-N 3.3Å; S653-K655 PolarHBondContact O-N 2.81Å
654D60.2Low74.7Confident133 Ų13337.4 Ų37.471%0.71119%0.191SC*.  trans-37.5138179-80.2-36.9000111.6S656 E657D654-S656 PolarHBondContact O-N 3.24Å; D654-E657 PolarHBondContact O-N 2.79Å
655K58.4Low74.9Confident91 Ų9137.3 Ų37.340%0.39619%0.191SC..THydrogen-bonded Turntrans-44.8-30.1-168.8-58.6-168.5-175.5-150.50113.8P246 D248 D574 C577 S653P246-K655 HydrophobicContact CG-CB 4.41Å; D248-K655 WeakPolarHBondContact OD2-CE 3.26Å; D248-K655 IonicContact OD2-NZ 3.07Å; D248-K655 PolarHBondContact OD2-NZ 2.89Å; D574-K655 IonicContact OD2-NZ 3.76Å; D574-K655 PolarHBondContact OD2-NZ 3.07Å; C577-K655 HydrophobicContact CB-CB 4.08Å; C577-K655 HydrophobicContact CB-CD 4.32Å; S653-K655 PolarHBondContact O-N 2.81Å
656S57.3Low75Confident51 Ų5137.2 Ų37.236%0.35719%0.19SC..THydrogen-bonded Turntrans-96.44.3-170.160.50000116T579 D654 N772T579-S656 WeakPolarHBondContact CG2-O 3.42Å; D654-S656 PolarHBondContact O-N 3.24Å; S656-N772 WeakPolarHBondContact CB-ND2 3.43Å; S656-N772 PolarHBondContact O-ND2 2.81Å; S656-N772 PolarHBondContact O-OD1 3.28Å
657E65.5Low75Confident89 Ų8940.4 Ų40.442%0.41620%0.204SC..  trans-130139.9-178.5-68.2-171.2174.400114.7K244 D654 K659K244-E657 PolarHBondContact NZ-O 3.1Å; D654-E657 PolarHBondContact O-N 2.79Å; E657-K659 PolarHBondContact O-N 2.78Å
658F70.9Confident75.1Confident21 Ų2141 Ų419%0.09221%0.207CC..  trans-91.977173.4-156.6-87.5000109.7L226 C242 K244 Q581 L649 I660L226-F658 HydrophobicContact CD2-CE2 4.22Å; C242-F658 HydrophobicContact CB-CE2 4.44Å; C242-F658 HydrophobicContact CB-CZ 4.34Å; K244-F658 HydrophobicContact CB-CD2 3.95Å; K244-F658 HydrophobicContact CB-CE2 4.17Å; K244-F658 HydrophobicContact CD-CD2 4.23Å; Q581-F658 HydrophobicContact CB-CB 4.48Å; Q581-F658 HydrophobicContact CB-CD1 3.84Å; Q581-F658 HydrophobicContact CB-CD2 3.94Å; Q581-F658 HydrophobicContact CB-CE1 3.94Å; Q581-F658 HydrophobicContact CB-CE2 4.05Å; Q581-F658 HydrophobicContact CB-CG 3.84Å; Q581-F658 HydrophobicContact CB-CZ 4.05Å; Q581-F658 HydrophobicContact CG-CD1 3.71Å; Q581-F658 HydrophobicContact CG-CE1 3.83Å; Q581-F658 HydrophobicContact CG-CG 4.17Å; Q581-F658 HydrophobicContact CG-CZ 4.41Å; L649-F658 HydrophobicContact CD1-CE1 3.97Å; L649-F658 HydrophobicContact CD1-CE2 4.35Å; L649-F658 HydrophobicContact CD1-CZ 3.59Å; L649-F658 HydrophobicContact CD2-CD1 3.85Å; L649-F658 HydrophobicContact CD2-CE1 3.32Å; L649-F658 HydrophobicContact CD2-CZ 3.86Å; L649-F658 HydrophobicContact CG-CE1 4.3Å; L649-F658 HydrophobicContact CG-CZ 4.39Å; F658-I660 HydrophobicContact CD1-CG1 4.47Å; F658-I660 PolarHBondContact O-N 3.49Å
659K74Confident75Confident100 Ų10044.2 Ų44.244%0.43523%0.225SC..  trans-85.3112.1-174-171.3173.2-178.5173.50112.5N650 E657 M661N650-K659 PolarHBondContact N-O 2.84Å; E657-K659 PolarHBondContact O-N 2.78Å; K659-M661 HydrophobicContact CD-SD 4.36Å; K659-M661 HydrophobicContact CG-SD 4.41Å
660I76.5Confident75.2Confident10 Ų1045.9 Ų45.95%0.05124%0.24CC..EExtended strand (participates in β ladder)trans-83.7122.3170.4-54.3-176.2000108.8I647 L649 F658 N662 L768I647-I660 HydrophobicContact CB-CG2 4.16Å; I647-I660 HydrophobicContact CD1-CD1 4.22Å; I647-I660 HydrophobicContact CG2-CG2 4.4Å; L649-I660 HydrophobicContact CD2-CG1 3.85Å; F658-I660 HydrophobicContact CD1-CG1 4.47Å; F658-I660 PolarHBondContact O-N 3.49Å; I660-N662 WeakPolarHBondContact CG2-O 3.22Å; I660-L768 HydrophobicContact CD1-CD1 4.09Å
661M76.7Confident75.6Confident75 Ų7544.3 Ų44.337%0.36923%0.232SC..EExtended strand (participates in β ladder)trans-84.8-49.8-179.7-65.8-63.7-61.700111.4E648 N650 K659E648-M661 PolarHBondContact O-N 3.35Å; N650-M661 HydrophobicContact CB-CG 3.84Å; N650-M661 HydrophobicContact CB-SD 3.98Å; K659-M661 HydrophobicContact CD-SD 4.36Å; K659-M661 HydrophobicContact CG-SD 4.41Å
662N80.8Confident76.3Confident46 Ų4646 Ų4625%0.24624%0.242CC..EExtended strand (participates in β ladder)trans-143160.5179.9-81.5-20.1000109.3I647 E648 I660I647-N662 CarbonylContact C-O 3.42Å; I647-N662 WeakPolarHBondContact CA-O 3.42Å; E648-N662 HydrophobicContact CB-CB 4.26Å; E648-N662 PolarHBondContact N-O 2.85Å; I660-N662 WeakPolarHBondContact CG2-O 3.22Å
663G84Confident77Confident1 Ų145 Ų451%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-168.5167.5167.400000112.7T646 P787T646-G663 CarbonylContact O-C 3.56Å; T646-G663 WeakPolarHBondContact O-CA 3.28Å; G663-P787 WeakPolarHBondContact O-CD 3.49Å; G663-P787 WeakPolarHBondContact O-CG 3.47Å
664V86.4Confident78.3Confident0 Ų045.7 Ų45.70%025%0.253CS..EExtended strand (participates in β ladder)trans-151.3142.2179.765.10000109.6T646 L666 I756 L757 V760 P787 R789T646-V664 PolarHBondContact N-O 2.79Å; T646-V664 PolarHBondContact O-N 3.23Å; V664-L666 HydrophobicContact CG1-CD2 4.04Å; V664-L666 HydrophobicContact CG1-CG 4.13Å; V664-L666 HydrophobicContact CG2-CD2 3.86Å; V664-I756 HydrophobicContact CG1-CG2 4.28Å; V664-I756 HydrophobicContact CG2-CG2 4.24Å; V664-L757 HydrophobicContact CB-CD2 4.3Å; V664-L757 HydrophobicContact CG1-CD2 3.76Å; V664-L757 HydrophobicContact CG1-CG 4.46Å; V664-V760 HydrophobicContact CG2-CG2 4.49Å; V664-P787 WeakPolarHBondContact CG2-O 3.35Å; V664-R789 HydrophobicContact CG2-CB 3.9Å; V664-R789 HydrophobicContact CG2-CG 3.71Å
665E86.5Confident79.1Confident0 Ų045.3 Ų45.30%026%0.255CS..EExtended strand (participates in β ladder)trans-95.9122.5165.8-174.1-171.1167.300108.9S643 L645 R783 P787 R788 R789S643-E665 WeakPolarHBondContact CB-OE1 3.28Å; S643-E665 PolarHBondContact OG-OE1 3.4Å; L645-E665 HydrophobicContact CD1-CG 4.06Å; L645-E665 HydrophobicContact CG-CB 4.47Å; L645-E665 HydrophobicContact CG-CG 4.37Å; E665-R783 IonicContact OE1-NE 3.84Å; E665-P787 PolarHBondContact N-O 3.48Å; E665-R788 HydrophobicContact CB-CG 4.26Å; E665-R788 VanDerWaalsContact CD-NE 3.27Å; E665-R788 CarbonylContact O-C 3.53Å; E665-R788 WeakPolarHBondContact O-CA 3.46Å; E665-R788 IonicContact OE1-CZ 3Å; E665-R788 IonicContact OE1-NE 3.34Å; E665-R788 PolarHBondContact OE1-NE 3.5Å; E665-R788 IonicContact OE1-NH2 3.49Å; E665-R788 PolarHBondContact OE1-NH2 3.09Å; E665-R788 WeakPolarHBondContact OE2-CD 3.25Å; E665-R788 WeakPolarHBondContact OE2-CG 3.28Å; E665-R788 IonicContact OE2-CZ 2.79Å; E665-R788 IonicContact OE2-NE 2.8Å; E665-R788 PolarHBondContact OE2-NE 3.35Å; E665-R788 IonicContact OE2-NH2 2.65Å; E665-R789 PolarHBondContact O-N 3.32Å
666L87Confident80.2Confident1 Ų141.9 Ų41.91%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-104.6134.4177.9-56175000110.3L644 V664 I753 I756 R789L644-L666 HydrophobicContact CB-CB 4.2Å; L644-L666 HydrophobicContact CD2-CD1 4.12Å; L644-L666 PolarHBondContact N-O 2.75Å; L644-L666 PolarHBondContact O-N 2.75Å; V664-L666 HydrophobicContact CG1-CD2 4.04Å; V664-L666 HydrophobicContact CG1-CG 4.13Å; V664-L666 HydrophobicContact CG2-CD2 3.86Å; L666-I753 HydrophobicContact CD1-CD1 3.75Å; L666-I756 HydrophobicContact CD2-CD1 4.45Å; L666-I756 HydrophobicContact CD2-CG2 3.87Å; L666-R789 WeakPolarHBondContact CA-O 3.44Å; L666-R789 HydrophobicContact CD2-CB 3.95Å
667F86.4Confident80.9Confident67 Ų6745.3 Ų45.329%0.29426%0.263SS..EExtended strand (participates in β ladder)trans-128.4157.9169.864.7-87.6000109.8R788 R789 N790 L791F667-R788 HydrophobicContact CE1-CB 4.35Å; F667-R789 WeakPolarHBondContact CD1-O 3.4Å; F667-R789 PolarHBondContact N-O 3.21Å; F667-N790 HydrophobicContact CD2-CB 4.39Å; F667-N790 HydrophobicContact CE1-CB 4.12Å; F667-N790 HydrophobicContact CE2-CB 3.63Å; F667-N790 HydrophobicContact CZ-CB 3.48Å; F667-N790 VanDerWaalsContact CZ-CB 3.48Å; F667-N790 PolarHBondContact O-OD1 3.41Å; F667-L791 WeakPolarHBondContact O-CB 3.46Å; F667-L791 PolarHBondContact O-N 2.62Å
668L86.2Confident81.4Confident11 Ų1143.6 Ų43.66%0.05826%0.264CS..  trans-125.7118.6-178.7179.466.9000109.9F641 A670 I671 Y682 V699 L791 I795F641-L668 HydrophobicContact CD1-CB 4.22Å; F641-L668 HydrophobicContact CD2-CB 4.12Å; F641-L668 HydrophobicContact CD2-CD2 4.37Å; F641-L668 HydrophobicContact CE1-CB 4.27Å; F641-L668 HydrophobicContact CE2-CB 4.17Å; F641-L668 HydrophobicContact CE2-CD2 4.16Å; F641-L668 HydrophobicContact CG-CB 4.15Å; F641-L668 HydrophobicContact CZ-CB 4.25Å; L668-A670 WeakPolarHBondContact CD1-O 3.09Å; L668-I671 HydrophobicContact CD1-CG1 4.37Å; L668-I671 HydrophobicContact CD2-CD1 4.23Å; L668-I671 HydrophobicContact CD2-CG1 4.03Å; L668-Y682 HydrophobicContact CD2-CD2 4.33Å; L668-Y682 HydrophobicContact CD2-CG 4.11Å; L668-Y682 HydrophobicContact CG-CD2 4.22Å; L668-Y682 HydrophobicContact CG-CG 4.49Å; L668-V699 HydrophobicContact CD2-CB 4.48Å; L668-V699 HydrophobicContact CD2-CG1 3.74Å; L668-V699 HydrophobicContact CD2-CG2 4.15Å; L668-L791 HydrophobicContact CB-CB 4.45Å; L668-L791 HydrophobicContact CD1-CB 4.1Å; L668-L791 HydrophobicContact CD1-CD2 4.19Å; L668-L791 HydrophobicContact CD1-CG 4.32Å; L668-I795 HydrophobicContact CD1-CD1 3.98Å
669D84.2Confident81.8Confident86 Ų8649.3 Ų49.346%0.4630%0.295SS..SBendtrans-107.4-26.417966.2-15.5000113.8Y682 N790 S792D669-Y682 WeakPolarHBondContact O-CE2 3.44Å; D669-N790 PolarHBondContact OD1-ND2 3.16Å; D669-N790 PolarHBondContact OD1-OD1 3.38Å; D669-N790 PolarHBondContact OD2-ND2 2.89Å; D669-S792 WeakPolarHBondContact OD1-CB 3.48Å; D669-S792 PolarHBondContact OD1-OG 3.13Å
670A86.3Confident82.1Confident44 Ų4445.8 Ų45.836%0.36428%0.281SS..  trans-149.4141.8-17900000111.9L668 S792L668-A670 WeakPolarHBondContact CD1-O 3.09Å; A670-S792 VanDerWaalsContact O-CB 3.28Å; A670-S792 WeakPolarHBondContact O-CB 3.27Å
671I87.1Confident82.3Confident4 Ų448.3 Ų48.32%0.02130%0.298CS..  trans-104.6121.3169.4-65.4-177.9000107.9L668 G673 D674 Y682 V699 W747 I800L668-I671 HydrophobicContact CD1-CG1 4.37Å; L668-I671 HydrophobicContact CD2-CD1 4.23Å; L668-I671 HydrophobicContact CD2-CG1 4.03Å; I671-G673 PolarHBondContact O-N 3.24Å; I671-G673 VanDerWaalsContact O-N 3.1Å; I671-D674 HydrophobicContact CB-CB 4.18Å; I671-D674 PolarHBondContact O-N 3.12Å; I671-Y682 HydrophobicContact CB-CE1 4.23Å; I671-Y682 HydrophobicContact CD1-CD1 3.59Å; I671-Y682 HydrophobicContact CD1-CE1 3.44Å; I671-Y682 VanDerWaalsContact CD1-CE1 3.44Å; I671-Y682 HydrophobicContact CD1-CG 4.46Å; I671-Y682 HydrophobicContact CG1-CD1 4.08Å; I671-Y682 HydrophobicContact CG1-CE1 3.64Å; I671-Y682 PolarHBondContact N-OH 3.47Å; I671-V699 HydrophobicContact CD1-CB 4.41Å; I671-V699 HydrophobicContact CD1-CG1 4.07Å; I671-W747 HydrophobicContact CD1-CB 4.24Å; I671-W747 HydrophobicContact CD1-CD2 3.63Å; I671-W747 HydrophobicContact CD1-CE3 3.49Å; I671-W747 VanDerWaalsContact CD1-CE3 3.49Å; I671-W747 HydrophobicContact CD1-CG 3.98Å; I671-W747 HydrophobicContact CD1-CZ3 4.05Å; I671-W747 HydrophobicContact CG2-CD2 4.42Å; I671-W747 HydrophobicContact CG2-CG 4.21Å; I671-I800 HydrophobicContact CG2-CD1 3.95Å; I671-I800 HydrophobicContact CG2-CG2 4.03Å
672P84.7Confident82.7Confident41 Ų4145 Ų4527%0.26628%0.281SS..THydrogen-bonded Turntrans-48.9117174-28.229.5000113I795 R797 I800P672-I795 HydrophobicContact CG-CG1 4.04Å; P672-I795 WeakPolarHBondContact CG-O 3.4Å; P672-R797 HydrophobicContact CB-CG 3.99Å; P672-I800 HydrophobicContact CB-CD1 3.91Å; P672-I800 VanDerWaalsContact CD-CD1 3.46Å; P672-I800 HydrophobicContact CG-CD1 3.7Å
673G80.3Confident82.8Confident57 Ų5745.3 Ų45.359%0.58828%0.281SS*.THydrogen-bonded Turntrans97.1-11.7-179.900000115.5I671I671-G673 PolarHBondContact O-N 3.24Å; I671-G673 VanDerWaalsContact O-N 3.1Å
674D85Confident82.9Confident32 Ų3245.8 Ų45.817%0.17128%0.283CS..  trans-87.3118.6171-175.126.7000111I671 N676 Y682 R701 W747I671-D674 HydrophobicContact CB-CB 4.18Å; I671-D674 PolarHBondContact O-N 3.12Å; D674-N676 PolarHBondContact O-N 3.48Å; D674-Y682 PolarHBondContact OD2-OH 2.93Å; D674-R701 VanDerWaalsContact CG-NH2 3.28Å; D674-R701 IonicContact OD1-CZ 3.63Å; D674-R701 IonicContact OD1-NH2 3.24Å; D674-R701 PolarHBondContact OD1-NH2 3.37Å; D674-R701 IonicContact OD2-CZ 3.3Å; D674-R701 VanDerWaalsContact OD2-CZ 3.24Å; D674-R701 IonicContact OD2-NE 3.89Å; D674-R701 PolarHBondContact OD2-NE 3.12Å; D674-R701 IonicContact OD2-NH2 3.73Å; D674-R701 PolarHBondContact OD2-NH2 3.5Å; D674-W747 HydrophobicContact CB-CH2 4.41Å; D674-W747 HydrophobicContact CB-CZ2 3.79Å; D674-W747 VanDerWaalsContact CG-CZ2 3.45Å; D674-W747 WeakPolarHBondContact OD2-CH2 3.3Å
675T76.4Confident82.9Confident125 Ų12547.8 Ų47.877%0.76729%0.293SS*.  trans-81.392.8169.354.70000108P677T675-P677 WeakPolarHBondContact O-CD 3.43Å
676N81.8Confident83Confident18 Ų1849.2 Ų49.210%0.09630%0.301CS..  trans-101.666.1177.2-175.616.9000111.7D674 A678 N679 L680 R701D674-N676 PolarHBondContact O-N 3.48Å; N676-A678 PolarHBondContact O-N 3.5Å; N676-A678 VanDerWaalsContact O-N 3.09Å; N676-N679 PolarHBondContact O-N 3.33Å; N676-N679 VanDerWaalsContact O-N 3.09Å; N676-N679 PolarHBondContact O-OD1 2.94Å; N676-L680 PolarHBondContact ND2-N 2.75Å; N676-L680 PolarHBondContact ND2-O 2.81Å; N676-L680 PolarHBondContact OD1-N 3Å; N676-R701 VanDerWaalsContact CG-CD 3.49Å; N676-R701 WeakPolarHBondContact ND2-CD 3.3Å; N676-R701 PolarHBondContact OD1-NH1 3.31Å
677P72.5Confident83.2Confident124 Ų12449.6 Ų49.681%0.80530%0.302SS*.THydrogen-bonded Turntrans-66-17.9-171.729.3-38000113.8T675T675-P677 WeakPolarHBondContact O-CD 3.43Å
678A75.9Confident83.5Confident53 Ų5348.9 Ų48.944%0.43830%0.3SS..THydrogen-bonded Turntrans-91.83.1179.800000113.1N676 L680N676-A678 PolarHBondContact O-N 3.5Å; N676-A678 VanDerWaalsContact O-N 3.09Å; A678-L680 HydrophobicContact CB-CD1 4.27Å; A678-L680 HydrophobicContact CB-CD2 4.35Å; A678-L680 HydrophobicContact CB-CG 3.85Å; A678-L680 PolarHBondContact O-N 3.07Å; A678-L680 VanDerWaalsContact O-N 3.12Å
679N78.4Confident83.7Confident140 Ų14048.9 Ų48.975%0.74930%0.299SS*.  trans43.943.1-173.5-72.6-6.4000111.9N676N676-N679 PolarHBondContact O-N 3.33Å; N676-N679 VanDerWaalsContact O-N 3.09Å; N676-N679 PolarHBondContact O-OD1 2.94Å
680L81.6Confident84Confident26 Ų2645.8 Ų45.814%0.13628%0.281CS..PPolyproline II helixtrans-68.1139.3176.2-65.2173.7000108.3N676 A678 R701 R702 K704N676-L680 PolarHBondContact ND2-N 2.75Å; N676-L680 PolarHBondContact ND2-O 2.81Å; N676-L680 PolarHBondContact OD1-N 3Å; A678-L680 HydrophobicContact CB-CD1 4.27Å; A678-L680 HydrophobicContact CB-CD2 4.35Å; A678-L680 HydrophobicContact CB-CG 3.85Å; A678-L680 PolarHBondContact O-N 3.07Å; A678-L680 VanDerWaalsContact O-N 3.12Å; L680-R701 HydrophobicContact CB-CG 4.09Å; L680-R702 WeakPolarHBondContact CD1-O 3.35Å; L680-K704 HydrophobicContact CD1-CB 4.34Å; L680-K704 HydrophobicContact CD1-CD 4.45Å; L680-K704 HydrophobicContact CD1-CG 4.08Å; L680-K704 HydrophobicContact CD2-CD 4.16Å; L680-K704 HydrophobicContact CD2-CG 4.43Å
681P80.4Confident84.1Confident63 Ų6345.3 Ų45.341%0.40928%0.276SS..PPolyproline II helixtrans-65.2145.3-178.525.7-32.8000111.4
682Y85.5Confident84Confident6 Ų646 Ų462%0.02428%0.28CS..PPolyproline II helixtrans-85.2139.7167.3-63.2-81.1000109.3G640 F641 L668 D669 I671 D674 V699 S700 R701 W747G640-Y682 CarbonylContact C-O 3.56Å; F641-Y682 WeakPolarHBondContact CA-O 3.5Å; F641-Y682 WeakPolarHBondContact CB-O 3.11Å; F641-Y682 WeakPolarHBondContact CD2-O 3.09Å; F641-Y682 PolarHBondContact N-O 3.34Å; F641-Y682 VanDerWaalsContact N-O 3.1Å; L668-Y682 HydrophobicContact CD2-CD2 4.33Å; L668-Y682 HydrophobicContact CD2-CG 4.11Å; L668-Y682 HydrophobicContact CG-CD2 4.22Å; L668-Y682 HydrophobicContact CG-CG 4.49Å; D669-Y682 WeakPolarHBondContact O-CE2 3.44Å; I671-Y682 HydrophobicContact CB-CE1 4.23Å; I671-Y682 HydrophobicContact CD1-CD1 3.59Å; I671-Y682 HydrophobicContact CD1-CE1 3.44Å; I671-Y682 VanDerWaalsContact CD1-CE1 3.44Å; I671-Y682 HydrophobicContact CD1-CG 4.46Å; I671-Y682 HydrophobicContact CG1-CD1 4.08Å; I671-Y682 HydrophobicContact CG1-CE1 3.64Å; I671-Y682 PolarHBondContact N-OH 3.47Å; D674-Y682 PolarHBondContact OD2-OH 2.93Å; Y682-V699 HydrophobicContact CD1-CG1 4.04Å; Y682-V699 HydrophobicContact CG-CG1 4.18Å; Y682-S700 CarbonylContact C-O 3.53Å; Y682-S700 WeakPolarHBondContact CA-O 3.47Å; Y682-R701 HydrophobicContact CD1-CB 3.91Å; Y682-R701 HydrophobicContact CD1-CG 4.4Å; Y682-R701 HydrophobicContact CE1-CB 4.19Å; Y682-R701 HydrophobicContact CE1-CG 4.49Å; Y682-W747 HydrophobicContact CD1-CZ3 4.11Å; Y682-W747 HydrophobicContact CE1-CH2 4.21Å; Y682-W747 AromaticContact CE1-CZ3 3.99Å; Y682-W747 HydrophobicContact CE1-CZ3 3.99Å
683E82.5Confident84.1Confident53 Ų5346.9 Ų46.925%0.24828%0.281CS..EExtended strand (participates in β ladder)trans-110.8130.3177.7-65174.1-168.400109V699 S700 R702E683-V699 WeakPolarHBondContact O-CA 3.23Å; E683-S700 PolarHBondContact N-O 3.38Å; E683-S700 PolarHBondContact O-N 3.36Å; E683-R702 IonicContact OE1-CZ 2.82Å; E683-R702 IonicContact OE1-NE 3.72Å; E683-R702 PolarHBondContact OE1-NE 3.06Å; E683-R702 IonicContact OE1-NH2 3.92Å
684L86.1Confident84.5Confident10 Ų1044.2 Ų44.25%0.05225%0.253CS..EExtended strand (participates in β ladder)trans-75.5127.8169.9-173.873.9000109.1T633 F641 M687 L697 I698 V699T633-L684 HydrophobicContact CG2-CD2 3.36Å; F641-L684 HydrophobicContact CE2-CB 3.91Å; F641-L684 HydrophobicContact CE2-CD1 4.41Å; F641-L684 HydrophobicContact CZ-CB 4.25Å; F641-L684 HydrophobicContact CZ-CD1 4.43Å; L684-M687 HydrophobicContact CD2-CB 4.44Å; L684-M687 HydrophobicContact CD2-CG 4.31Å; L684-M687 HydrophobicContact CD2-SD 4Å; L684-L697 HydrophobicContact CD1-CB 3.84Å; L684-L697 HydrophobicContact CD1-CD1 4.38Å; L684-L697 HydrophobicContact CD1-CD2 3.96Å; L684-L697 HydrophobicContact CD1-CG 4.28Å; L684-I698 WeakPolarHBondContact CD1-O 2.94Å; L684-V699 HydrophobicContact CD1-CG2 4.27Å
685Q85.9Confident84.9Confident42 Ų4242.7 Ų42.720%0.19625%0.245CC..EExtended strand (participates in β ladder)trans-103.1-39.7-179.4-62.2-62.9-38.100112.7H597 I698 S700H597-Q685 PolarHBondContact CE1-O 2.93Å; Q685-I698 HydrophobicContact CB-CB 4.24Å; Q685-I698 HydrophobicContact CB-CG2 3.79Å; Q685-I698 HydrophobicContact CG-CG2 4.23Å; Q685-I698 PolarHBondContact N-O 3.46Å; Q685-S700 WeakPolarHBondContact CG-OG 3.29Å; Q685-S700 PolarHBondContact NE2-OG 2.82Å
686D89.2Confident85.7Confident31 Ų3136.8 Ų36.817%0.16621%0.209CC..EExtended strand (participates in β ladder)trans-158.3159.5177.6-163.515.8000110.5I698 K809 L810D686-I698 HydrophobicContact CB-CB 4.48Å; D686-I698 HydrophobicContact CB-CD1 4.27Å; D686-I698 PolarHBondContact O-N 3.47Å; D686-K809 VanDerWaalsContact OD2-CA 3.27Å; D686-K809 WeakPolarHBondContact OD2-CA 3.48Å; D686-L810 HydrophobicContact CB-CD2 4.48Å; D686-L810 PolarHBondContact OD2-N 2.88Å
687M91.4Very high86.2Confident8 Ų835.9 Ų35.94%0.03920%0.204CC..EExtended strand (participates in β ladder)trans-152.4144.7175.861.9174.6179.800112.7H597 T599 A631 L644 L684 L696 L697H597-M687 HydrophobicContact CB-CE 3.77Å; H597-M687 HydrophobicContact CB-CG 4.43Å; H597-M687 WeakPolarHBondContact O-CE 3.29Å; T599-M687 HydrophobicContact CG2-CE 4.09Å; T599-M687 HydrophobicContact CG2-CG 3.92Å; T599-M687 HydrophobicContact CG2-SD 4Å; A631-M687 HydrophobicContact CB-CE 4.43Å; A631-M687 HydrophobicContact CB-SD 4.34Å; A631-M687 WeakPolarHBondContact O-CE 3.42Å; L644-M687 HydrophobicContact CD1-CE 4.01Å; L644-M687 HydrophobicContact CD1-SD 3.47Å; L644-M687 WeakPolarHBondContact CD1-SD 3.27Å; L684-M687 HydrophobicContact CD2-CB 4.44Å; L684-M687 HydrophobicContact CD2-CG 4.31Å; L684-M687 HydrophobicContact CD2-SD 4Å; M687-L696 VanDerWaalsContact CA-O 3.28Å; M687-L696 WeakPolarHBondContact CA-O 3.46Å; M687-L697 HydrophobicContact CB-CD2 3.53Å; M687-L697 HydrophobicContact SD-CD2 4.47Å
688Q92.4Very high87.2Confident52 Ų5230 Ų3024%0.24317%0.166CC..EExtended strand (participates in β ladder)trans-150.9140.1173.1-160-174.22.100110.8Y690 L696 L810 T812Q688-Y690 PolarHBondContact O-N 2.74Å; Q688-L696 PolarHBondContact N-O 2.9Å; Q688-L696 PolarHBondContact O-N 2.93Å; Q688-L810 HydrophobicContact CB-CD1 3.53Å; Q688-L810 HydrophobicContact CB-CG 4.44Å; Q688-T812 VanDerWaalsContact OE1-N 3.11Å
689F91.1Very high87.9Confident11 Ų1127.5 Ų27.55%0.04815%0.145CC..EExtended strand (participates in β ladder)trans-64.6126.7167.8-72.9-76.7000110.6T599 I601 L629 A631 L695 I753T599-F689 HydrophobicContact CG2-CD2 3.69Å; T599-F689 HydrophobicContact CG2-CE2 3.69Å; I601-F689 HydrophobicContact CB-CB 3.86Å; I601-F689 HydrophobicContact CB-CD2 3.77Å; I601-F689 HydrophobicContact CB-CE2 4.43Å; I601-F689 HydrophobicContact CB-CG 3.81Å; I601-F689 HydrophobicContact CD1-CB 3.67Å; I601-F689 HydrophobicContact CD1-CG 4.42Å; I601-F689 HydrophobicContact CG1-CB 4.36Å; I601-F689 HydrophobicContact CG2-CB 3.92Å; I601-F689 HydrophobicContact CG2-CD1 3.68Å; I601-F689 HydrophobicContact CG2-CD2 3.57Å; I601-F689 HydrophobicContact CG2-CE1 4.02Å; I601-F689 HydrophobicContact CG2-CE2 3.91Å; I601-F689 HydrophobicContact CG2-CG 3.45Å; I601-F689 VanDerWaalsContact CG2-CG 3.45Å; I601-F689 HydrophobicContact CG2-CZ 4.13Å; L629-F689 HydrophobicContact CB-CE1 4.38Å; L629-F689 HydrophobicContact CB-CE2 4.47Å; L629-F689 HydrophobicContact CB-CZ 3.95Å; L629-F689 HydrophobicContact CD1-CE1 4.33Å; A631-F689 HydrophobicContact CB-CE2 4.09Å; A631-F689 HydrophobicContact CB-CZ 3.88Å; F689-L695 HydrophobicContact CD1-CB 4.15Å; F689-L695 HydrophobicContact CD1-CD1 3.88Å; F689-L695 HydrophobicContact CD2-CD1 4.31Å; F689-L695 HydrophobicContact CE1-CB 4.22Å; F689-L695 HydrophobicContact CE1-CD1 4.04Å; F689-L695 HydrophobicContact CE2-CD1 4.47Å; F689-L695 HydrophobicContact CG-CD1 4.02Å; F689-L695 HydrophobicContact CZ-CD1 4.33Å; F689-I753 HydrophobicContact CE1-CG2 4.12Å
690Y90.1Very high88.4Confident21 Ų2120.8 Ų20.88%0.08211%0.109CC..SBendtrans-80.2-39.6167.8172.7-86.7000110.6Q688 V694 L696 T812 G814 S817 M834Q688-Y690 PolarHBondContact O-N 2.74Å; Y690-V694 HydrophobicContact CD1-CB 4.1Å; Y690-V694 HydrophobicContact CD1-CG1 4.4Å; Y690-V694 HydrophobicContact CG-CG1 4.44Å; Y690-V694 PolarHBondContact N-O 3.24Å; Y690-L696 HydrophobicContact CD2-CD1 4.12Å; Y690-T812 HydrophobicContact CD2-CG2 4.39Å; Y690-T812 WeakPolarHBondContact CD2-OG1 3.13Å; Y690-G814 WeakPolarHBondContact O-CA 3.48Å; Y690-G814 PolarHBondContact OH-O 2.92Å; Y690-S817 VanDerWaalsContact OH-CA 3.28Å; Y690-S817 WeakPolarHBondContact OH-CA 3.24Å; Y690-S817 PolarHBondContact OH-OG 3.2Å; Y690-M834 HydrophobicContact CE2-CB 4.35Å; Y690-M834 HydrophobicContact CE2-CG 3.77Å
691S87.3Confident88.7Confident35 Ų3520.4 Ų20.425%0.24511%0.106CC..SBendtrans-155.5178.7173.169.40000109.4Q693 V694S691-Q693 PolarHBondContact O-N 2.95Å; S691-Q693 VanDerWaalsContact O-N 3.08Å; S691-Q693 PolarHBondContact OG-N 2.73Å; S691-V694 PolarHBondContact N-O 3.48Å; S691-V694 PolarHBondContact O-N 3.14Å; S691-V694 PolarHBondContact OG-N 3.17Å
692S85Confident88.8Confident17 Ų1723.6 Ų23.612%0.11911%0.11CC..SBendtrans-64.8-6.6171.859.70000113.7R754S692-R754 PolarHBondContact O-NE 3.23Å; S692-R754 PolarHBondContact O-NH2 2.92Å
693Q86.8Confident88.1Confident60 Ų6024.4 Ų24.428%0.2812%0.117SC..SBendtrans-104.6-27.7179.9-53.7-64.4-11.200112.9E606 S691 P752 I753 R754E606-Q693 PolarHBondContact OE2-NE2 3.01Å; S691-Q693 PolarHBondContact O-N 2.95Å; S691-Q693 VanDerWaalsContact O-N 3.08Å; S691-Q693 PolarHBondContact OG-N 2.73Å; Q693-P752 CarbonylContact O-C 3.56Å; Q693-I753 PolarHBondContact O-N 2.89Å; Q693-I753 VanDerWaalsContact O-N 3.11Å; Q693-R754 PolarHBondContact O-N 3.2Å
694V89.8Confident86.9Confident1 Ų129.4 Ų29.41%0.00614%0.137CC..  trans-133128.3-168.3177.90000111.4V3 Y690 S691 L696 M750 V751V3-V694 HydrophobicContact CG2-CG2 4.35Å; Y690-V694 HydrophobicContact CD1-CB 4.1Å; Y690-V694 HydrophobicContact CD1-CG1 4.4Å; Y690-V694 HydrophobicContact CG-CG1 4.44Å; Y690-V694 PolarHBondContact N-O 3.24Å; S691-V694 PolarHBondContact N-O 3.48Å; S691-V694 PolarHBondContact O-N 3.14Å; S691-V694 PolarHBondContact OG-N 3.17Å; V694-L696 HydrophobicContact CG1-CD2 4.24Å; V694-M750 HydrophobicContact CG1-CG 3.37Å; V694-M750 HydrophobicContact CG1-SD 3.99Å; V694-V751 WeakPolarHBondContact CA-O 3.32Å
695L92.2Very high85Confident0 Ų035.9 Ų35.90%017%0.167CC..EExtended strand (participates in β ladder)trans-108.7129.1171.517865.2000109.4T599 A631 L644 F689 L697 V751 I753T599-L695 HydrophobicContact CG2-CD1 3.94Å; A631-L695 HydrophobicContact CB-CD2 4.18Å; L644-L695 HydrophobicContact CD2-CD2 3.91Å; F689-L695 HydrophobicContact CD1-CB 4.15Å; F689-L695 HydrophobicContact CD1-CD1 3.88Å; F689-L695 HydrophobicContact CD2-CD1 4.31Å; F689-L695 HydrophobicContact CE1-CB 4.22Å; F689-L695 HydrophobicContact CE1-CD1 4.04Å; F689-L695 HydrophobicContact CE2-CD1 4.47Å; F689-L695 HydrophobicContact CG-CD1 4.02Å; F689-L695 HydrophobicContact CZ-CD1 4.33Å; L695-L697 HydrophobicContact CD2-CD2 3.89Å; L695-L697 HydrophobicContact CG-CD2 3.85Å; L695-V751 HydrophobicContact CB-CB 4.27Å; L695-V751 PolarHBondContact N-O 3.22Å; L695-V751 WeakPolarHBondContact O-CB 3.42Å; L695-V751 PolarHBondContact O-N 3.26Å; L695-I753 HydrophobicContact CB-CB 4.17Å; L695-I753 HydrophobicContact CB-CG2 4.3Å
696L93.9Very high82.4Confident1 Ų138.8 Ų38.81%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-99.1135.5175.1-61.7177.9000109.9Y7 M687 Q688 Y690 V694 V749 M750 L810 T812 V819Y7-L696 WeakPolarHBondContact OH-CD2 3.45Å; M687-L696 VanDerWaalsContact CA-O 3.28Å; M687-L696 WeakPolarHBondContact CA-O 3.46Å; Q688-L696 PolarHBondContact N-O 2.9Å; Q688-L696 PolarHBondContact O-N 2.93Å; Y690-L696 HydrophobicContact CD2-CD1 4.12Å; V694-L696 HydrophobicContact CG1-CD2 4.24Å; L696-V749 WeakPolarHBondContact CA-O 3.39Å; L696-M750 HydrophobicContact CD2-CB 4.2Å; L696-M750 HydrophobicContact CD2-CG 4.22Å; L696-L810 HydrophobicContact CB-CD1 4.16Å; L696-L810 HydrophobicContact CB-CD2 4.35Å; L696-L810 HydrophobicContact CD1-CD1 4.45Å; L696-T812 HydrophobicContact CD1-CG2 4.15Å; L696-V819 HydrophobicContact CD1-CG1 4.15Å; L696-V819 HydrophobicContact CD1-CG2 3.74Å
697L93.3Very high79.4Confident0 Ų047.3 Ų47.30%023%0.227CC..EExtended strand (participates in β ladder)trans-124139.2178.9-51.4179000110L644 L684 M687 L695 V699 V749 V751 L791L644-L697 HydrophobicContact CD2-CD1 4.27Å; L644-L697 HydrophobicContact CD2-CD2 4.07Å; L684-L697 HydrophobicContact CD1-CB 3.84Å; L684-L697 HydrophobicContact CD1-CD1 4.38Å; L684-L697 HydrophobicContact CD1-CD2 3.96Å; L684-L697 HydrophobicContact CD1-CG 4.28Å; M687-L697 HydrophobicContact CB-CD2 3.53Å; M687-L697 HydrophobicContact SD-CD2 4.47Å; L695-L697 HydrophobicContact CD2-CD2 3.89Å; L695-L697 HydrophobicContact CG-CD2 3.85Å; L697-V699 HydrophobicContact CB-CG2 4.1Å; L697-V749 HydrophobicContact CB-CB 4.33Å; L697-V749 PolarHBondContact N-O 3.41Å; L697-V749 PolarHBondContact O-N 3.45Å; L697-V751 HydrophobicContact CD1-CG2 3.58Å; L697-V751 HydrophobicContact CG-CG2 3.91Å; L697-L791 HydrophobicContact CD1-CD2 3.76Å
698I92.4Very high76.5Confident0 Ų053.6 Ų53.60%027%0.266CS..EExtended strand (participates in β ladder)trans-97.1120.9157.2-68.9165.4000107.7L684 Q685 D686 W747 L748 A807 K809 L810 V821L684-I698 WeakPolarHBondContact CD1-O 2.94Å; Q685-I698 HydrophobicContact CB-CB 4.24Å; Q685-I698 HydrophobicContact CB-CG2 3.79Å; Q685-I698 HydrophobicContact CG-CG2 4.23Å; Q685-I698 PolarHBondContact N-O 3.46Å; D686-I698 HydrophobicContact CB-CB 4.48Å; D686-I698 HydrophobicContact CB-CD1 4.27Å; D686-I698 PolarHBondContact O-N 3.47Å; I698-W747 WeakPolarHBondContact CA-O 3.33Å; I698-L748 HydrophobicContact CG1-CD1 4.3Å; I698-A807 HydrophobicContact CD1-CB 4.1Å; I698-A807 HydrophobicContact CG2-CB 3.9Å; I698-A807 WeakPolarHBondContact CG2-O 3.38Å; I698-K809 VanDerWaalsContact CD1-C 3.45Å; I698-L810 HydrophobicContact CB-CD2 4.48Å; I698-L810 HydrophobicContact CD1-CB 3.72Å; I698-L810 HydrophobicContact CD1-CD2 3.91Å; I698-L810 HydrophobicContact CD1-CG 4.3Å; I698-L810 HydrophobicContact CG1-CB 4.31Å; I698-L810 HydrophobicContact CG1-CD2 3.69Å; I698-V821 HydrophobicContact CD1-CG1 4.32Å
699V90.7Very high73.5Confident0 Ų055.8 Ų55.80%029%0.287CS..EExtended strand (participates in β ladder)trans-117139.7177.7-177.10000108.7F641 L668 I671 Y682 E683 L684 L697 S746 W747 V749F641-V699 HydrophobicContact CE2-CG1 4.41Å; F641-V699 HydrophobicContact CE2-CG2 4.29Å; L668-V699 HydrophobicContact CD2-CB 4.48Å; L668-V699 HydrophobicContact CD2-CG1 3.74Å; L668-V699 HydrophobicContact CD2-CG2 4.15Å; I671-V699 HydrophobicContact CD1-CB 4.41Å; I671-V699 HydrophobicContact CD1-CG1 4.07Å; Y682-V699 HydrophobicContact CD1-CG1 4.04Å; Y682-V699 HydrophobicContact CG-CG1 4.18Å; E683-V699 WeakPolarHBondContact O-CA 3.23Å; L684-V699 HydrophobicContact CD1-CG2 4.27Å; L697-V699 HydrophobicContact CB-CG2 4.1Å; V699-S746 CarbonylContact O-C 3.49Å; V699-S746 WeakPolarHBondContact O-CA 3.31Å; V699-W747 PolarHBondContact N-O 2.94Å; V699-W747 PolarHBondContact O-N 2.84Å; V699-V749 HydrophobicContact CB-CG2 4.48Å; V699-V749 HydrophobicContact CG2-CG2 4.11Å
700S89Confident70.5Confident0 Ų060.9 Ų60.90%032%0.324CS..EExtended strand (participates in β ladder)trans-128.9161.517668.90000112.7Y682 E683 Q685 M744 H745Y682-S700 CarbonylContact C-O 3.53Å; Y682-S700 WeakPolarHBondContact CA-O 3.47Å; E683-S700 PolarHBondContact N-O 3.38Å; E683-S700 PolarHBondContact O-N 3.36Å; Q685-S700 WeakPolarHBondContact CG-OG 3.29Å; Q685-S700 PolarHBondContact NE2-OG 2.82Å; S700-M744 VanDerWaalsContact OG-CE 3.3Å; S700-M744 WeakPolarHBondContact OG-CE 3.31Å; S700-H745 CarbonylContact C-O 3.59Å; S700-H745 WeakPolarHBondContact CA-O 3.34Å; S700-H745 WeakPolarHBondContact CB-O 3.19Å
701R88Confident67.7Low17 Ų1767.4 Ų67.46%0.06436%0.359CS..EExtended strand (participates in β ladder)trans-145134.4175-174.5174.766.275.5-6.1110.4D674 N676 L680 Y682 H745 W747D674-R701 VanDerWaalsContact CG-NH2 3.28Å; D674-R701 IonicContact OD1-CZ 3.63Å; D674-R701 IonicContact OD1-NH2 3.24Å; D674-R701 PolarHBondContact OD1-NH2 3.37Å; D674-R701 IonicContact OD2-CZ 3.3Å; D674-R701 VanDerWaalsContact OD2-CZ 3.24Å; D674-R701 IonicContact OD2-NE 3.89Å; D674-R701 PolarHBondContact OD2-NE 3.12Å; D674-R701 IonicContact OD2-NH2 3.73Å; D674-R701 PolarHBondContact OD2-NH2 3.5Å; N676-R701 VanDerWaalsContact CG-CD 3.49Å; N676-R701 WeakPolarHBondContact ND2-CD 3.3Å; N676-R701 PolarHBondContact OD1-NH1 3.31Å; L680-R701 HydrophobicContact CB-CG 4.09Å; Y682-R701 HydrophobicContact CD1-CB 3.91Å; Y682-R701 HydrophobicContact CD1-CG 4.4Å; Y682-R701 HydrophobicContact CE1-CB 4.19Å; Y682-R701 HydrophobicContact CE1-CG 4.49Å; R701-H745 PolarHBondContact N-O 3.49Å; R701-H745 PolarHBondContact O-N 2.93Å; R701-W747 HydrophobicContact CB-CH2 4Å; R701-W747 HydrophobicContact CB-CZ3 3.7Å
702R82.7Confident64.9Low131 Ų13177.3 Ų77.349%0.49439%0.391SS..EExtended strand (participates in β ladder)trans-70.7140.6172.7-66.6175.6-163.8-1400.8110.9L680 E683 M744L680-R702 WeakPolarHBondContact CD1-O 3.35Å; E683-R702 IonicContact OE1-CZ 2.82Å; E683-R702 IonicContact OE1-NE 3.72Å; E683-R702 PolarHBondContact OE1-NE 3.06Å; E683-R702 IonicContact OE1-NH2 3.92Å; R702-M744 VanDerWaalsContact CA-SD 3.6Å; R702-M744 HydrophobicContact CB-SD 4Å; R702-M744 HydrophobicContact CG-CE 4.21Å; R702-M744 HydrophobicContact CG-SD 3.22Å; R702-M744 WeakPolarHBondContact CG-SD 3.36Å
703S71Confident62.4Low23 Ų2382.3 Ų82.316%0.16143%0.426CS..  trans-90.8138.4170.2-174.20000111.5L743S703-L743 WeakPolarHBondContact CB-O 3.3Å; S703-L743 PolarHBondContact N-O 2.74Å
704K56.4Low59.6Low157 Ų15784.7 Ų84.768%0.68345%0.449SS*.  trans-93107.3164.4-87.6-178.7176.1171.40108.8L680L680-K704 HydrophobicContact CD1-CB 4.34Å; L680-K704 HydrophobicContact CD1-CD 4.45Å; L680-K704 HydrophobicContact CD1-CG 4.08Å; L680-K704 HydrophobicContact CD2-CD 4.16Å; L680-K704 HydrophobicContact CD2-CG 4.43Å
705H47.3Very low57Low147 Ų14790.4 Ų90.468%0.68149%0.486SS*.PPolyproline II helixtrans-79.2125.9164.3-94.8-68.8000111L743H705-L743 VanDerWaalsContact NE2-CD1 3.31Å; H705-L743 WeakPolarHBondContact NE2-CD1 3.44Å
706S30Very low53.9Low102 Ų10299.5 Ų99.571%0.71353%0.526SS*.PPolyproline II helixtrans-68.2140.5174.861.10000111.1V708S706-V708 PolarHBondContact O-N 3.34Å; S706-V708 VanDerWaalsContact O-N 3.16Å
707K26.7Very low51Low210 Ų210107.2 Ų107.291%0.91357%0.565SS**PPolyproline II helixtrans-51.2116.8172.1-77.4174.9173175.40110.4S709K707-S709 PolarHBondContact O-N 2.88Å
708V30.6Very low47.9Very low141 Ų141114.7 Ų114.786%0.85561%0.606SS**PPolyproline II helixtrans-67.9118.9167.9176.20000108.8S706 S710S706-V708 PolarHBondContact O-N 3.34Å; S706-V708 VanDerWaalsContact O-N 3.16Å; V708-S710 PolarHBondContact O-N 3.37Å
709S29.4Very low44.9Very low97 Ų97121.5 Ų121.568%0.67865%0.647SS**PPolyproline II helixtrans-62.9125169.250.20000110.7K707 I711K707-S709 PolarHBondContact O-N 2.88Å; S709-I711 PolarHBondContact O-N 2.93Å
710S27.2Very low42Very low118 Ų118126.5 Ų126.583%0.82568%0.682SS**PPolyproline II helixtrans-59.7119.2170.153.80000111.7V708V708-S710 PolarHBondContact O-N 3.37Å
711I33.1Very low39.1Very low159 Ų159131.4 Ų131.482%0.81572%0.716SS**  trans-129.3120.7156.4-62.2-179.2000108.3S709S709-I711 PolarHBondContact O-N 2.93Å
712R26.9Very low36.4Very low242 Ų242140 Ų14091%0.91376%0.759SS**  trans-59.2135.8176.5-77.6170.9167.3172.4-4.4112
713S33.3Very low33.8Very low123 Ų123142.9 Ų142.986%0.8678%0.775SS**  trans-165.6120.3130.249.90000110.7
714S28.2Very low31.9Very low109 Ų109149 Ų14976%0.76281%0.805SS**  trans-89.2154.9163.759.20000108.9
715P34.5Very low30.6Very low122 Ų122147.1 Ų147.179%0.79280%0.802SS**  -148.5149.28833-12.9000117.3
716K27.8Very low29.9Very low190 Ų190149 Ų14983%0.82681%0.811SS**  trans-2.1141150.8-58.1173.8178.3177.70118.4
717I31.8Very low30.2Very low163 Ų163148.9 Ų148.984%0.83681%0.81SS**  -170.9127.2115.5-87.7147.7000111.9
718N30Very low30.5Very low158 Ų158144.4 Ų144.485%0.84580%0.796SS**  trans25.7127.8156.3-70.7-14.6000124.5
719V28.4Very low30.5Very low142 Ų142143.8 Ų143.886%0.86179%0.787SS**  trans-100.9129.8160.11740000109.1
720S29.8Very low30.7Very low105 Ų105146.9 Ų146.973%0.73480%0.796SS**  trans-162.7117.1141.657.30000111.9
721S28.2Very low30.9Very low103 Ų103151.6 Ų151.672%0.7280%0.796SS**  trans57.6114.6145.464.50000120.1
722M30.9Very low30.8Very low199 Ų199150.9 Ų150.998%0.9879%0.789SS**  -169.6145.2121.8-106.2167163.600112
723K27.6Very low31Very low190 Ų190145.2 Ų145.283%0.82678%0.776SS**  trans-77168.8-179.9-65.8170.9164.11770111.4
724I31.6Very low30.9Very low152 Ų152144.7 Ų144.778%0.77977%0.773SS**  trans88.5125.6161.4-52.2149.6000111
725D29.9Very low30.9Very low118 Ų118143.5 Ų143.563%0.63176%0.764SS**  cis-164.2145.450-131.5-24.9000111.4S727D725-S727 PolarHBondContact O-N 2.96Å
726E32.4Very low30.6Very low186 Ų186144.4 Ų144.487%0.86976%0.761SS**THydrogen-bonded Turntrans-69.411.5-177-89.6-178.7156.900115.4
727S36Very low30.6Very low99 Ų99141.2 Ų141.269%0.69276%0.758SS**THydrogen-bonded Turntrans-101.61.5-176.2580000115D725D725-S727 PolarHBondContact O-N 2.96Å
728L32.6Very low30.6Very low117 Ų117138.8 Ų138.861%0.61375%0.753SS**SBendtrans-101.4-5.7178.3-80.3161.4000114.8N730 R731L728-N730 VanDerWaalsContact C-N 3.26Å; L728-N730 PolarHBondContact O-N 3.2Å; L728-R731 PolarHBondContact O-N 2.7Å
729L31.9Very low30.6Very low128 Ų128137.3 Ų137.367%0.6775%0.75SS**THydrogen-bonded Turntrans-70.3-13.9-174.7-118113.1000115.3L733L729-L733 WeakPolarHBondContact O-CD1 3.2Å
730N32.3Very low30.5Very low162 Ų162138.7 Ų138.787%0.86675%0.753SS**THydrogen-bonded Turntrans-98.12.3-179.9-76.3-18.8000114.4L728L728-N730 VanDerWaalsContact C-N 3.26Å; L728-N730 PolarHBondContact O-N 3.2Å
731R32.4Very low30.9Very low216 Ų216140.5 Ų140.582%0.81575%0.754SS**THydrogen-bonded Turntrans-121.9-2.5-177.2-147.9173.9157.9-169.5-7.8114.6L728L728-R731 PolarHBondContact O-N 2.7Å
732E31.1Very low32.1Very low145 Ų145141 Ų14168%0.67875%0.749SS**SBendtrans-109.50.6173.4-70.4-163.5154.500114.4S734 S735E732-S734 PolarHBondContact O-N 3.44Å; E732-S735 PolarHBondContact O-N 3.36Å; E732-S735 PolarHBondContact O-OG 2.82Å
733L31.3Very low33.9Very low122 Ų122136 Ų13664%0.63973%0.725SS**THydrogen-bonded Turntrans-72.6-1.8171-103.6106.5000114.2L729 S735 L736L729-L733 WeakPolarHBondContact O-CD1 3.2Å; L733-S735 VanDerWaalsContact C-N 3.34Å; L733-L736 HydrophobicContact CD2-CD1 4.46Å; L733-L736 HydrophobicContact CG-CD1 4.41Å
734S30Very low36.3Very low113 Ų113128.9 Ų128.979%0.7970%0.696SS**THydrogen-bonded Turntrans-88.36.5171.951.40000114.1E732E732-S734 PolarHBondContact O-N 3.44Å
735S28.4Very low38.9Very low84 Ų84125.3 Ų125.359%0.58768%0.675SS**  trans-137.552.4176.561.60000112.7E732 L733 T737E732-S735 PolarHBondContact O-N 3.36Å; E732-S735 PolarHBondContact O-OG 2.82Å; L733-S735 VanDerWaalsContact C-N 3.34Å; S735-T737 PolarHBondContact O-N 2.88Å
736L28.7Very low41.9Very low140 Ų140119.8 Ų119.873%0.73365%0.646SS**  trans-90.195.6161.7-78.2158.3000108.1L733L733-L736 HydrophobicContact CD2-CD1 4.46Å; L733-L736 HydrophobicContact CG-CD1 4.41Å
737T27.6Very low44.8Very low123 Ų123111.9 Ų111.976%0.75561%0.608SS**  trans-61.2127.9167.233.10000108.8S735 T739S735-T737 PolarHBondContact O-N 2.88Å; T737-T739 PolarHBondContact O-N 3.3Å; T737-T739 VanDerWaalsContact O-N 3.16Å
738P32.3Very low47.5Very low112 Ų112107.1 Ų107.173%0.72758%0.575SS**  trans-71116.618028-29.9000108.3N740P738-N740 PolarHBondContact O-N 3.05Å; P738-N740 VanDerWaalsContact O-N 3.08Å
739T28.9Very low50.4Low127 Ų127101.6 Ų101.678%0.77955%0.546SS*.  trans-61.6107.2168.548.10000109.3T737 N741T737-T739 PolarHBondContact O-N 3.3Å; T737-T739 VanDerWaalsContact O-N 3.16Å; T739-N741 PolarHBondContact O-N 2.97Å; T739-N741 VanDerWaalsContact O-N 3.14Å
740N27.2Very low53.3Low172 Ų17295.7 Ų95.792%0.9252%0.515SS*.SBendtrans49.639.7154.4-116.415.8000119P738P738-N740 PolarHBondContact O-N 3.05Å; P738-N740 VanDerWaalsContact O-N 3.08Å
741N38.4Very low56Low142 Ų14288 Ų8876%0.75947%0.474SS*.  trans-101.8134.4169.3-79.8-8.2000111T739 L743T739-N741 PolarHBondContact O-N 2.97Å; T739-N741 VanDerWaalsContact O-N 3.14Å; N741-L743 PolarHBondContact O-N 3.25Å
742D53.1Low58.7Low114 Ų11478.1 Ų78.161%0.6144%0.438SS*.  trans-50119.7176.3-78.6-27.8000111M744D742-M744 PolarHBondContact O-N 2.81Å; D742-M744 VanDerWaalsContact O-N 3.11Å
743L67.6Low61.4Low93 Ų9371.2 Ų71.249%0.48741%0.405SS..  trans-67.6109.4177.6-83.7151000110S703 H705 N741S703-L743 WeakPolarHBondContact CB-O 3.3Å; S703-L743 PolarHBondContact N-O 2.74Å; H705-L743 VanDerWaalsContact NE2-CD1 3.31Å; H705-L743 WeakPolarHBondContact NE2-CD1 3.44Å; N741-L743 PolarHBondContact O-N 3.25Å
744M79.5Confident64Low42 Ų4266.8 Ų66.821%0.20738%0.38CS..EExtended strand (participates in β ladder)trans-85.9123.8171.7-76.2-68.6-96.200110.2S700 R702 D742 H806S700-M744 VanDerWaalsContact OG-CE 3.3Å; S700-M744 WeakPolarHBondContact OG-CE 3.31Å; R702-M744 VanDerWaalsContact CA-SD 3.6Å; R702-M744 HydrophobicContact CB-SD 4Å; R702-M744 HydrophobicContact CG-CE 4.21Å; R702-M744 HydrophobicContact CG-SD 3.22Å; R702-M744 WeakPolarHBondContact CG-SD 3.36Å; D742-M744 PolarHBondContact O-N 2.81Å; D742-M744 VanDerWaalsContact O-N 3.11Å; M744-H806 HydrophobicContact CB-CB 4.02Å
745H86.1Confident66.6Low77 Ų7764.1 Ų64.136%0.35636%0.357SS..EExtended strand (participates in β ladder)trans-93.8138.5170.4-62.170.8000108.2S700 R701 W747S700-H745 CarbonylContact C-O 3.59Å; S700-H745 WeakPolarHBondContact CA-O 3.34Å; S700-H745 WeakPolarHBondContact CB-O 3.19Å; R701-H745 PolarHBondContact N-O 3.49Å; R701-H745 PolarHBondContact O-N 2.93Å; H745-W747 HydrophobicContact CB-CH2 3.41Å; H745-W747 VanDerWaalsContact CB-CH2 3.41Å; H745-W747 HydrophobicContact CB-CZ2 3.86Å; H745-W747 HydrophobicContact CB-CZ3 3.88Å; H745-W747 WeakPolarHBondContact O-CZ3 3.29Å
746S91.8Very high69.3Low2 Ų260.2 Ų60.21%0.01433%0.33CS..EExtended strand (participates in β ladder)trans-130.6146.5-178.5-79.30000111.2V699 L803 H806 A807V699-S746 CarbonylContact O-C 3.49Å; V699-S746 WeakPolarHBondContact O-CA 3.31Å; S746-L803 WeakPolarHBondContact O-CB 3.37Å; S746-L803 PolarHBondContact O-N 2.98Å; S746-H806 PolarHBondContact OG-ND1 3.02Å; S746-A807 PolarHBondContact OG-N 3.38Å
747W93.6Very high71.9Confident19 Ų1953.6 Ų53.67%0.07230%0.295CS..EExtended strand (participates in β ladder)trans-134.8141.4178.6-60.5-91.7000110.3I671 D674 Y682 I698 V699 R701 H745 V749 I800 E801I671-W747 HydrophobicContact CD1-CB 4.24Å; I671-W747 HydrophobicContact CD1-CD2 3.63Å; I671-W747 HydrophobicContact CD1-CE3 3.49Å; I671-W747 VanDerWaalsContact CD1-CE3 3.49Å; I671-W747 HydrophobicContact CD1-CG 3.98Å; I671-W747 HydrophobicContact CD1-CZ3 4.05Å; I671-W747 HydrophobicContact CG2-CD2 4.42Å; I671-W747 HydrophobicContact CG2-CG 4.21Å; D674-W747 HydrophobicContact CB-CH2 4.41Å; D674-W747 HydrophobicContact CB-CZ2 3.79Å; D674-W747 VanDerWaalsContact CG-CZ2 3.45Å; D674-W747 WeakPolarHBondContact OD2-CH2 3.3Å; Y682-W747 HydrophobicContact CD1-CZ3 4.11Å; Y682-W747 HydrophobicContact CE1-CH2 4.21Å; Y682-W747 AromaticContact CE1-CZ3 3.99Å; Y682-W747 HydrophobicContact CE1-CZ3 3.99Å; I698-W747 WeakPolarHBondContact CA-O 3.33Å; V699-W747 PolarHBondContact N-O 2.94Å; V699-W747 PolarHBondContact O-N 2.84Å; R701-W747 HydrophobicContact CB-CH2 4Å; R701-W747 HydrophobicContact CB-CZ3 3.7Å; H745-W747 HydrophobicContact CB-CH2 3.41Å; H745-W747 VanDerWaalsContact CB-CH2 3.41Å; H745-W747 HydrophobicContact CB-CZ2 3.86Å; H745-W747 HydrophobicContact CB-CZ3 3.88Å; H745-W747 WeakPolarHBondContact O-CZ3 3.29Å; W747-V749 HydrophobicContact CB-CG2 4.13Å; W747-I800 HydrophobicContact CB-CG2 4.16Å; W747-I800 HydrophobicContact CG-CG2 4.31Å; W747-E801 WeakPolarHBondContact CA-O 3.5Å
748L93.6Very high74.3Confident0 Ų052.9 Ų52.90%029%0.287CS..EExtended strand (participates in β ladder)trans-94.9117.9166.2-18064.2000108Y7 I698 I800 E801 L803 L810 V819 V821 Y832Y7-L748 HydrophobicContact CD1-CD2 3.78Å; Y7-L748 HydrophobicContact CE1-CD2 3.3Å; Y7-L748 HydrophobicContact CE1-CG 3.84Å; I698-L748 HydrophobicContact CG1-CD1 4.3Å; L748-I800 WeakPolarHBondContact O-CA 3.34Å; L748-E801 HydrophobicContact CB-CB 4.31Å; L748-E801 PolarHBondContact N-O 2.96Å; L748-E801 PolarHBondContact O-N 2.93Å; L748-L803 HydrophobicContact CB-CD1 4.2Å; L748-L803 HydrophobicContact CB-CD2 4.39Å; L748-L803 HydrophobicContact CB-CG 4.41Å; L748-L810 HydrophobicContact CD1-CD2 4.38Å; L748-V819 HydrophobicContact CD2-CG1 4.19Å; L748-V821 HydrophobicContact CD2-CG2 4.11Å; L748-Y832 HydrophobicContact CD2-CD2 4.44Å
749V92.7Very high76.1Confident0 Ų049.4 Ų49.40%027%0.271CS..EExtended strand (participates in β ladder)trans-117125.6-171.7-175.80000109.9L696 L697 V699 W747 V751 I795 I800L696-V749 WeakPolarHBondContact CA-O 3.39Å; L697-V749 HydrophobicContact CB-CB 4.33Å; L697-V749 PolarHBondContact N-O 3.41Å; L697-V749 PolarHBondContact O-N 3.45Å; V699-V749 HydrophobicContact CB-CG2 4.48Å; V699-V749 HydrophobicContact CG2-CG2 4.11Å; W747-V749 HydrophobicContact CB-CG2 4.13Å; V749-V751 HydrophobicContact CG1-CG2 4.23Å; V749-I795 HydrophobicContact CG1-CD1 4.18Å; V749-I795 HydrophobicContact CG1-CG2 3.86Å; V749-I800 HydrophobicContact CG1-CG1 4.39Å; V749-I800 HydrophobicContact CG2-CG1 4.5Å
750M91.8Very high78Confident4 Ų444.3 Ų44.32%0.0224%0.24CC..EExtended strand (participates in β ladder)trans-90.7126.6171.1-173.9-175.4-59.100110.7F5 Y7 V694 L696 N799 M834F5-M750 HydrophobicContact CB-CE 3.57Å; F5-M750 HydrophobicContact CB-SD 4.12Å; F5-M750 HydrophobicContact CD2-CE 4.32Å; F5-M750 HydrophobicContact CD2-SD 4.26Å; F5-M750 HydrophobicContact CG-CE 4.36Å; Y7-M750 WeakPolarHBondContact OH-CB 3.44Å; Y7-M750 PolarHBondContact OH-N 3.47Å; V694-M750 HydrophobicContact CG1-CG 3.37Å; V694-M750 HydrophobicContact CG1-SD 3.99Å; L696-M750 HydrophobicContact CD2-CB 4.2Å; L696-M750 HydrophobicContact CD2-CG 4.22Å; M750-N799 HydrophobicContact CB-CB 4.12Å; M750-N799 WeakPolarHBondContact CB-O 3.19Å; M750-N799 PolarHBondContact N-O 2.93Å; M750-M834 HydrophobicContact CE-CE 2.97Å
751V90.7Very high79.3Confident0 Ų044.7 Ų44.70%024%0.236CC..EExtended strand (participates in β ladder)trans-115.6118.2179.9-1770000110.1V694 L695 L697 V749 I753 I756 L791V694-V751 WeakPolarHBondContact CA-O 3.32Å; L695-V751 HydrophobicContact CB-CB 4.27Å; L695-V751 PolarHBondContact N-O 3.22Å; L695-V751 WeakPolarHBondContact O-CB 3.42Å; L695-V751 PolarHBondContact O-N 3.26Å; L697-V751 HydrophobicContact CD1-CG2 3.58Å; L697-V751 HydrophobicContact CG-CG2 3.91Å; V749-V751 HydrophobicContact CG1-CG2 4.23Å; V751-I753 PolarHBondContact O-N 2.78Å; V751-I756 HydrophobicContact CG1-CD1 3.56Å; V751-L791 HydrophobicContact CB-CD1 4.16Å; V751-L791 HydrophobicContact CG1-CD1 3.48Å; V751-L791 VanDerWaalsContact CG1-CD1 3.48Å; V751-L791 HydrophobicContact CG2-CD1 3.66Å; V751-L791 HydrophobicContact CG2-CD2 4.01Å; V751-L791 HydrophobicContact CG2-CG 4.41Å
752P89.4Confident79.8Confident9 Ų945.4 Ų45.46%0.05824%0.24CC..  trans-76.469.9176.233.2-35.5000110.5Q693 R754 D755 I756 F794Q693-P752 CarbonylContact O-C 3.56Å; P752-R754 VanDerWaalsContact C-N 3.28Å; P752-R754 PolarHBondContact O-N 2.99Å; P752-D755 HydrophobicContact CB-CB 4.3Å; P752-D755 PolarHBondContact O-N 3.34Å; P752-D755 VanDerWaalsContact O-N 3.15Å; P752-I756 WeakPolarHBondContact O-CG1 3.38Å; P752-I756 PolarHBondContact O-N 3.22Å; P752-F794 HydrophobicContact CG-CB 4.48Å
753I87.7Confident79.6Confident0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-60.4-33.9-166.3-168.458.8000113.6T646 L666 F689 Q693 L695 V751 I756 L757T646-I753 HydrophobicContact CG2-CD1 3.96Å; T646-I753 HydrophobicContact CG2-CG1 3.9Å; L666-I753 HydrophobicContact CD1-CD1 3.75Å; F689-I753 HydrophobicContact CE1-CG2 4.12Å; Q693-I753 PolarHBondContact O-N 2.89Å; Q693-I753 VanDerWaalsContact O-N 3.11Å; L695-I753 HydrophobicContact CB-CB 4.17Å; L695-I753 HydrophobicContact CB-CG2 4.3Å; V751-I753 PolarHBondContact O-N 2.78Å; I753-I756 PolarHBondContact O-N 3.08Å; I753-L757 HydrophobicContact CG1-CD1 4.24Å; I753-L757 WeakPolarHBondContact O-CG 3.47Å; I753-L757 PolarHBondContact O-N 3.28Å
754R85Confident78.6Confident30 Ų3041.1 Ų41.111%0.11322%0.221CC..Hα-helixtrans-71.3-39.2179.1-173.265.664173.76.1112.3C603 L629 E648 S692 Q693 P752 I756 L757 N758C603-R754 PolarHBondContact SG-NH2 3.33Å; L629-R754 VanDerWaalsContact CD1-NH2 3.33Å; E648-R754 VanDerWaalsContact CD-NH1 3.35Å; E648-R754 IonicContact OE1-CZ 3.84Å; E648-R754 IonicContact OE1-NH1 2.75Å; E648-R754 PolarHBondContact OE1-NH1 3.12Å; E648-R754 IonicContact OE1-NH2 3.84Å; E648-R754 IonicContact OE2-NH1 3.53Å; E648-R754 PolarHBondContact OE2-NH1 2.86Å; S692-R754 PolarHBondContact O-NE 3.23Å; S692-R754 PolarHBondContact O-NH2 2.92Å; Q693-R754 PolarHBondContact O-N 3.2Å; P752-R754 VanDerWaalsContact C-N 3.28Å; P752-R754 PolarHBondContact O-N 2.99Å; R754-I756 VanDerWaalsContact C-N 3.26Å; R754-I756 PolarHBondContact O-N 2.86Å; R754-L757 PolarHBondContact O-N 2.96Å; R754-N758 WeakPolarHBondContact O-CB 3.28Å; R754-N758 PolarHBondContact O-N 3.44Å; R754-N758 PolarHBondContact O-ND2 2.9Å
755D83.9Confident77.1Confident57 Ų5740.8 Ų40.831%0.30523%0.228SC..Hα-helixtrans-61.7-40.1174.7-79.9-15000110.2M1 P752 N758 G759M1-D755 VanDerWaalsContact N-CG 3.31Å; M1-D755 PolarHBondContact N-OD1 3.46Å; M1-D755 VanDerWaalsContact N-OD1 3.16Å; M1-D755 PolarHBondContact N-OD2 2.89Å; P752-D755 HydrophobicContact CB-CB 4.3Å; P752-D755 PolarHBondContact O-N 3.34Å; P752-D755 VanDerWaalsContact O-N 3.15Å; D755-N758 PolarHBondContact O-N 3.39Å; D755-G759 PolarHBondContact O-N 3.38Å
756I85Confident75Confident1 Ų143.5 Ų43.51%0.00524%0.241CC..Hα-helixtrans-63.8-47.4176-61.3171.5000111.1V664 L666 V751 P752 I753 R754 G759 L791 F794V664-I756 HydrophobicContact CG1-CG2 4.28Å; V664-I756 HydrophobicContact CG2-CG2 4.24Å; L666-I756 HydrophobicContact CD2-CD1 4.45Å; L666-I756 HydrophobicContact CD2-CG2 3.87Å; V751-I756 HydrophobicContact CG1-CD1 3.56Å; P752-I756 WeakPolarHBondContact O-CG1 3.38Å; P752-I756 PolarHBondContact O-N 3.22Å; I753-I756 PolarHBondContact O-N 3.08Å; R754-I756 VanDerWaalsContact C-N 3.26Å; R754-I756 PolarHBondContact O-N 2.86Å; I756-G759 PolarHBondContact O-N 3.46Å; I756-L791 HydrophobicContact CD1-CD1 4.34Å; I756-F794 HydrophobicContact CD1-CB 4.02Å; I756-F794 HydrophobicContact CD1-CD1 4.42Å; I756-F794 HydrophobicContact CD1-CD2 4.13Å; I756-F794 HydrophobicContact CD1-CG 3.93Å; I756-F794 HydrophobicContact CG1-CB 4.18Å; I756-F794 HydrophobicContact CG1-CD1 3.7Å; I756-F794 HydrophobicContact CG1-CD2 4.09Å; I756-F794 HydrophobicContact CG1-CE1 4.06Å; I756-F794 HydrophobicContact CG1-CE2 4.44Å; I756-F794 HydrophobicContact CG1-CG 3.71Å; I756-F794 HydrophobicContact CG1-CZ 4.42Å
757L83.4Confident72.5Confident2 Ų249.2 Ų49.21%0.0127%0.271CS..Hα-helixtrans-64.4-39178.5-74.3168.7000112.4L629 T646 V664 I753 R754 G759 V760L629-L757 HydrophobicContact CD1-CD1 4.5Å; L629-L757 HydrophobicContact CD2-CD1 3.55Å; T646-L757 HydrophobicContact CG2-CD1 4.25Å; V664-L757 HydrophobicContact CB-CD2 4.3Å; V664-L757 HydrophobicContact CG1-CD2 3.76Å; V664-L757 HydrophobicContact CG1-CG 4.46Å; I753-L757 HydrophobicContact CG1-CD1 4.24Å; I753-L757 WeakPolarHBondContact O-CG 3.47Å; I753-L757 PolarHBondContact O-N 3.28Å; R754-L757 PolarHBondContact O-N 2.96Å; L757-G759 VanDerWaalsContact C-N 3.33Å; L757-V760 WeakPolarHBondContact O-CB 3.23Å; L757-V760 PolarHBondContact O-N 2.84Å
758N79.6Confident70.3Confident108 Ų10849.8 Ų49.858%0.57828%0.275SS*.Hα-helixtrans-71.3-28.2177.6-71.2-12.5000112.5R754 D755 V760R754-N758 WeakPolarHBondContact O-CB 3.28Å; R754-N758 PolarHBondContact O-N 3.44Å; R754-N758 PolarHBondContact O-ND2 2.9Å; D755-N758 PolarHBondContact O-N 3.39Å; N758-V760 PolarHBondContact O-N 3.46Å
759G68.7Low67.8Low38 Ų3856.5 Ų56.539%0.39230%0.304SS..THydrogen-bonded Turntrans-75.93.3175.500000114.5D755 I756 L757 R789D755-G759 PolarHBondContact O-N 3.38Å; I756-G759 PolarHBondContact O-N 3.46Å; L757-G759 VanDerWaalsContact C-N 3.33Å; G759-R789 PolarHBondContact O-NH2 3.5Å
760V69.4Low65.3Low21 Ų2159.3 Ų59.313%0.12732%0.318CS..  trans-91.8101.2172174.20000108.5V664 L757 N758 N762 P787V664-V760 HydrophobicContact CG2-CG2 4.49Å; L757-V760 WeakPolarHBondContact O-CB 3.23Å; L757-V760 PolarHBondContact O-N 2.84Å; N758-V760 PolarHBondContact O-N 3.46Å; V760-N762 PolarHBondContact O-N 3.45Å; V760-P787 HydrophobicContact CB-CG 4.38Å; V760-P787 HydrophobicContact CG1-CB 4.32Å; V760-P787 HydrophobicContact CG1-CG 3.51Å; V760-P787 HydrophobicContact CG2-CG 3.88Å
761E53.9Low62.6Low179 Ų17964.8 Ų64.884%0.83635%0.351SS*.  trans-72125.7173-68.9-175.1169.200110.8
762N49.2Very low60Low158 Ų15869.3 Ų69.385%0.84538%0.376SS*.  trans57.767.1166.4-64-29.7000117.5V760 S764V760-N762 PolarHBondContact O-N 3.45Å; N762-S764 PolarHBondContact O-N 3.18Å
763F49.9Very low57.5Low42 Ų4274.7 Ų74.718%0.18441%0.408CS..  trans-76106.4155.3-151.7-94.8000109.6G765 N785 L786F763-G765 PolarHBondContact O-N 2.84Å; F763-G765 VanDerWaalsContact O-N 3.13Å; F763-N785 WeakPolarHBondContact CE2-O 3.26Å; F763-N785 HydrophobicContact CZ-CB 4.22Å; F763-L786 HydrophobicContact CE2-CD2 3.8Å; F763-L786 HydrophobicContact CZ-CD2 3.79Å
764S46.3Very low55.1Low75 Ų7579.8 Ų79.852%0.52444%0.44SS..  trans-78.296171.956.80000109.2N762 E766 L767N762-S764 PolarHBondContact O-N 3.18Å; S764-E766 PolarHBondContact O-N 3.08Å; S764-L767 PolarHBondContact O-N 2.87Å
765G47.3Very low52.8Low34 Ų3481.4 Ų81.435%0.35146%0.46SS..G310 helixtrans-60.95.7179.600000116F763 L767F763-G765 PolarHBondContact O-N 2.84Å; F763-G765 VanDerWaalsContact O-N 3.13Å; G765-L767 VanDerWaalsContact C-N 3.34Å
766E42Very low50.6Low135 Ų13582.4 Ų82.463%0.63147%0.471SS*.G310 helixtrans-75.7-17.9176-70.1-153.5113.900114S764 L768 K769S764-E766 PolarHBondContact O-N 3.08Å; E766-L768 VanDerWaalsContact C-N 3.32Å; E766-L768 PolarHBondContact O-N 2.74Å; E766-K769 IonicContact OE1-NZ 2.89Å; E766-K769 PolarHBondContact OE1-NZ 3.01Å
767L40.4Very low48.4Very low121 Ų12189 Ų8963%0.63451%0.505SS*.G310 helixtrans-79.6-6.4-176.4-92.4138.2000115.1S764 G765S764-L767 PolarHBondContact O-N 2.87Å; G765-L767 VanDerWaalsContact C-N 3.34Å
768L47.3Very low46.8Very low32 Ų3289.2 Ų89.217%0.16851%0.506CS..G310 helixtrans-114.836.9174.2-74.8163.6000112.1I660 E766 Q770 I782I660-L768 HydrophobicContact CD1-CD1 4.09Å; E766-L768 VanDerWaalsContact C-N 3.32Å; E766-L768 PolarHBondContact O-N 2.74Å; L768-Q770 PolarHBondContact O-N 3.04Å; L768-I782 HydrophobicContact CD2-CG1 4.35Å
769K39.9Very low45.2Very low140 Ų14085.3 Ų85.361%0.60949%0.485SS*.  trans-69.795.9167.6-76.9177.2-175.5167.10109.3E766E766-K769 IonicContact OE1-NZ 2.89Å; E766-K769 PolarHBondContact OE1-NZ 3.01Å
770Q40.4Very low44.1Very low60 Ų6091 Ų9128%0.2850%0.502SS..  trans-95.9118.6174.7-74.6-168.7-13.900111.6L768L768-Q770 PolarHBondContact O-N 3.04Å
771T34.3Very low43.3Very low118 Ų11891.8 Ų91.872%0.72451%0.508SS*.  trans-77.8124.9173.245.30000111T773T771-T773 VanDerWaalsContact C-N 3.25Å; T771-T773 PolarHBondContact O-N 3.02Å
772N36.1Very low43.5Very low96 Ų9683.4 Ų83.451%0.51347%0.468SS..THydrogen-bonded Turntrans-57.827.4-170-82.3-39.4000120.1S656S656-N772 WeakPolarHBondContact CB-ND2 3.43Å; S656-N772 PolarHBondContact O-ND2 2.81Å; S656-N772 PolarHBondContact O-OD1 3.28Å
773T37.6Very low43.7Very low122 Ų12279.9 Ų79.975%0.74844%0.443SS*.THydrogen-bonded Turntrans-131.5-8.9-168.938.50000117.7T771T771-T773 VanDerWaalsContact C-N 3.25Å; T771-T773 PolarHBondContact O-N 3.02Å
774T36.5Very low44Very low107 Ų10782.8 Ų82.866%0.65647%0.465SS*.  trans-151.6128.2175.141.40000110.3S776T774-S776 PolarHBondContact O-N 3.22Å
775A37.4Very low45Very low64 Ų6482.4 Ų82.453%0.52946%0.457SS..  trans-63.875.4170.400000110.4L205 I582 I777L205-A775 HydrophobicContact CD2-CB 3.95Å; I582-A775 HydrophobicContact CD1-CB 4.23Å; A775-I777 PolarHBondContact O-N 3.19Å
776S37.8Very low46.4Very low77 Ų7781.2 Ų81.254%0.53844%0.442SS..  trans-89.397.4175.462.30000109.4T774 V778T774-S776 PolarHBondContact O-N 3.22Å; S776-V778 WeakPolarHBondContact O-CG2 3.27Å; S776-V778 PolarHBondContact O-N 2.82Å
777I39.7Very low48.3Very low141 Ų14176.5 Ų76.572%0.72342%0.424SS*.  trans16.788.6154.5-49.5171.8000114.1A775A775-I777 PolarHBondContact O-N 3.19Å
778V48.5Very low50.3Low5 Ų577.3 Ų77.33%0.0342%0.418CS..  trans-101.8-11.1-167.8-1720000113.6S776 E780 S781 I782S776-V778 WeakPolarHBondContact O-CG2 3.27Å; S776-V778 PolarHBondContact O-N 2.82Å; V778-E780 VanDerWaalsContact C-N 3.3Å; V778-E780 PolarHBondContact O-N 3.3Å; V778-S781 WeakPolarHBondContact CG1-OG 3.33Å; V778-S781 PolarHBondContact O-N 2.8Å; V778-S781 PolarHBondContact O-OG 3.24Å; V778-I782 HydrophobicContact CG1-CD1 4.11Å; V778-I782 HydrophobicContact CG1-CG1 4.11Å; V778-I782 PolarHBondContact O-N 2.69Å
779N47Very low52.2Low26 Ų2680 Ų8014%0.13943%0.426CS..Hα-helixtrans-61.8-35.5-166-15319.5000113.6L583 T585 M634L583-N779 PolarHBondContact O-OD1 3.45Å; T585-N779 HydrophobicContact CG2-CB 4.31Å; T585-N779 PolarHBondContact N-ND2 3.47Å; T585-N779 PolarHBondContact O-ND2 3.25Å; T585-N779 WeakPolarHBondContact OG1-CB 3.32Å; T585-N779 PolarHBondContact OG1-ND2 3.18Å; M634-N779 WeakPolarHBondContact CE-OD1 3.44Å
780E46.3Very low54.4Low159 Ų15974 Ų7474%0.74340%0.401SS*.Hα-helixtrans-69.7-36.4174.8-74-172.2155.700112.3V778 I782 T784V778-E780 VanDerWaalsContact C-N 3.3Å; V778-E780 PolarHBondContact O-N 3.3Å; E780-I782 PolarHBondContact O-N 3.05Å; E780-T784 VanDerWaalsContact O-CB 3.24Å; E780-T784 WeakPolarHBondContact O-CB 3.49Å; E780-T784 WeakPolarHBondContact O-CG2 3.43Å; E780-T784 PolarHBondContact O-N 3.18Å; E780-T784 PolarHBondContact O-OG1 3.06Å
781S51.5Low56.6Low36 Ų3671.2 Ų71.225%0.25239%0.388SS..Hα-helixtrans-71.7-30.8-173.368.40000114.2V778 N785V778-S781 WeakPolarHBondContact CG1-OG 3.33Å; V778-S781 PolarHBondContact O-N 2.8Å; V778-S781 PolarHBondContact O-OG 3.24Å; S781-N785 VanDerWaalsContact O-CB 3.3Å; S781-N785 WeakPolarHBondContact O-CB 3.24Å; S781-N785 VanDerWaalsContact O-CG 3.27Å; S781-N785 PolarHBondContact O-ND2 3.24Å
782I57.6Low59Low3 Ų367 Ų672%0.01536%0.363CS..Hα-helixtrans-74.8-50175.8-62.2172.2000109.1L645 L768 V778 E780 T784 N785 L786L645-I782 HydrophobicContact CD2-CG2 4.06Å; L768-I782 HydrophobicContact CD2-CG1 4.35Å; V778-I782 HydrophobicContact CG1-CD1 4.11Å; V778-I782 HydrophobicContact CG1-CG1 4.11Å; V778-I782 PolarHBondContact O-N 2.69Å; E780-I782 PolarHBondContact O-N 3.05Å; I782-T784 PolarHBondContact O-N 3.45Å; I782-N785 PolarHBondContact O-N 2.65Å; I782-L786 HydrophobicContact CG2-CD1 3.67Å; I782-L786 HydrophobicContact CG2-CG 4.22Å; I782-L786 VanDerWaalsContact O-CG 3.27Å; I782-L786 WeakPolarHBondContact O-CG 3.32Å; I782-L786 PolarHBondContact O-N 2.93Å; I782-L786 VanDerWaalsContact O-N 3.13Å
783R54.1Low61.3Low85 Ų8568.5 Ų68.532%0.32137%0.367SS..Hα-helixtrans-64.7-41.4-177.7-166.5-177.4-174.1-175.86.1113D636 E665 N785D636-R783 IonicContact OD2-CZ 3.67Å; D636-R783 IonicContact OD2-NH1 3.35Å; D636-R783 PolarHBondContact OD2-NH1 3.34Å; D636-R783 IonicContact OD2-NH2 2.69Å; D636-R783 PolarHBondContact OD2-NH2 3.38Å; E665-R783 IonicContact OE1-NE 3.84Å; R783-N785 VanDerWaalsContact C-N 3.29Å; R783-N785 PolarHBondContact O-N 3.45Å
784T56.3Low63.5Low103 Ų10365.3 Ų65.363%0.63234%0.343SS*.Hα-helixtrans-72.3-23.3-177.4540000113.3E780 I782E780-T784 VanDerWaalsContact O-CB 3.24Å; E780-T784 WeakPolarHBondContact O-CB 3.49Å; E780-T784 WeakPolarHBondContact O-CG2 3.43Å; E780-T784 PolarHBondContact O-N 3.18Å; E780-T784 PolarHBondContact O-OG1 3.06Å; I782-T784 PolarHBondContact O-N 3.45Å
785N67.3Low65.8Low66 Ų6660.6 Ų60.635%0.35331%0.313SS..Hα-helixtrans-95.2-27.6-177.8-69.9-38.4000113F763 S781 I782 R783F763-N785 WeakPolarHBondContact CE2-O 3.26Å; F763-N785 HydrophobicContact CZ-CB 4.22Å; S781-N785 VanDerWaalsContact O-CB 3.3Å; S781-N785 WeakPolarHBondContact O-CB 3.24Å; S781-N785 VanDerWaalsContact O-CG 3.27Å; S781-N785 PolarHBondContact O-ND2 3.24Å; I782-N785 PolarHBondContact O-N 2.65Å; R783-N785 VanDerWaalsContact C-N 3.29Å; R783-N785 PolarHBondContact O-N 3.45Å
786L75.6Confident68Low9 Ų960.9 Ų60.95%0.04731%0.309CS..SBendtrans-70.9136.1-178.4-71.7178.5000112.5L645 I647 F763 I782 R788L645-L786 HydrophobicContact CD2-CD1 3.86Å; L645-L786 HydrophobicContact CG-CD1 4.28Å; I647-L786 HydrophobicContact CG2-CD1 4.18Å; F763-L786 HydrophobicContact CE2-CD2 3.8Å; F763-L786 HydrophobicContact CZ-CD2 3.79Å; I782-L786 HydrophobicContact CG2-CD1 3.67Å; I782-L786 HydrophobicContact CG2-CG 4.22Å; I782-L786 VanDerWaalsContact O-CG 3.27Å; I782-L786 WeakPolarHBondContact O-CG 3.32Å; I782-L786 PolarHBondContact O-N 2.93Å; I782-L786 VanDerWaalsContact O-N 3.13Å; L786-R788 PolarHBondContact O-N 2.88Å
787P82.7Confident70.1Confident37 Ų3766.4 Ų66.424%0.2432%0.318CS..PPolyproline II helixtrans-65.2135.4173.126.9-31.9000109.8G663 V664 E665 V760G663-P787 WeakPolarHBondContact O-CD 3.49Å; G663-P787 WeakPolarHBondContact O-CG 3.47Å; V664-P787 WeakPolarHBondContact CG2-O 3.35Å; E665-P787 PolarHBondContact N-O 3.48Å; V760-P787 HydrophobicContact CB-CG 4.38Å; V760-P787 HydrophobicContact CG1-CB 4.32Å; V760-P787 HydrophobicContact CG1-CG 3.51Å; V760-P787 HydrophobicContact CG2-CG 3.88Å
788R83.1Confident72.1Confident138 Ų13861.5 Ų61.552%0.52130%0.301SS..EExtended strand (participates in β ladder)trans-95129.5177.7-50.1-175.584.4-162.2-2109.3E665 F667 L786E665-R788 HydrophobicContact CB-CG 4.26Å; E665-R788 VanDerWaalsContact CD-NE 3.27Å; E665-R788 CarbonylContact O-C 3.53Å; E665-R788 WeakPolarHBondContact O-CA 3.46Å; E665-R788 IonicContact OE1-CZ 3Å; E665-R788 IonicContact OE1-NE 3.34Å; E665-R788 PolarHBondContact OE1-NE 3.5Å; E665-R788 IonicContact OE1-NH2 3.49Å; E665-R788 PolarHBondContact OE1-NH2 3.09Å; E665-R788 WeakPolarHBondContact OE2-CD 3.25Å; E665-R788 WeakPolarHBondContact OE2-CG 3.28Å; E665-R788 IonicContact OE2-CZ 2.79Å; E665-R788 IonicContact OE2-NE 2.8Å; E665-R788 PolarHBondContact OE2-NE 3.35Å; E665-R788 IonicContact OE2-NH2 2.65Å; F667-R788 HydrophobicContact CE1-CB 4.35Å; L786-R788 PolarHBondContact O-N 2.88Å
789R86.3Confident73.7Confident88 Ų8861.4 Ų61.433%0.33230%0.301SS..EExtended strand (participates in β ladder)trans-127.6140.7178-71.4-67.9-165.11740.9109.8V664 E665 L666 F667 G759 F794V664-R789 HydrophobicContact CG2-CB 3.9Å; V664-R789 HydrophobicContact CG2-CG 3.71Å; E665-R789 PolarHBondContact O-N 3.32Å; L666-R789 WeakPolarHBondContact CA-O 3.44Å; L666-R789 HydrophobicContact CD2-CB 3.95Å; F667-R789 WeakPolarHBondContact CD1-O 3.4Å; F667-R789 PolarHBondContact N-O 3.21Å; G759-R789 PolarHBondContact O-NH2 3.5Å; R789-F794 HydrophobicContact CB-CE2 4.1Å
790N85.9Confident75.7Confident14 Ų1461.1 Ų61.18%0.07530%0.299CS..EExtended strand (participates in β ladder)trans-85.8122.3176.3-166.8-13.1000109.6F667 D669 S792 E793 F794F667-N790 HydrophobicContact CD2-CB 4.39Å; F667-N790 HydrophobicContact CE1-CB 4.12Å; F667-N790 HydrophobicContact CE2-CB 3.63Å; F667-N790 HydrophobicContact CZ-CB 3.48Å; F667-N790 VanDerWaalsContact CZ-CB 3.48Å; F667-N790 PolarHBondContact O-OD1 3.41Å; D669-N790 PolarHBondContact OD1-ND2 3.16Å; D669-N790 PolarHBondContact OD1-OD1 3.38Å; D669-N790 PolarHBondContact OD2-ND2 2.89Å; N790-S792 PolarHBondContact ND2-OG 2.9Å; N790-S792 VanDerWaalsContact ND2-OG 3.17Å; N790-S792 PolarHBondContact O-N 2.9Å; N790-S792 PolarHBondContact OD1-N 2.96Å; N790-S792 PolarHBondContact OD1-OG 2.97Å; N790-E793 HydrophobicContact CB-CG 4.08Å; N790-E793 WeakPolarHBondContact O-CB 3.07Å; N790-E793 PolarHBondContact O-N 3.26Å; N790-F794 VanDerWaalsContact O-CD2 3.25Å; N790-F794 WeakPolarHBondContact O-CD2 3.41Å; N790-F794 WeakPolarHBondContact O-CE2 3.44Å
791L86.1Confident77.9Confident1 Ų155.9 Ų55.91%0.00528%0.275CS..G310 helixtrans-62.6-30.2-178.9-175.162.5000112F667 L668 L697 V751 I756 E793 F794 I795F667-L791 WeakPolarHBondContact O-CB 3.46Å; F667-L791 PolarHBondContact O-N 2.62Å; L668-L791 HydrophobicContact CB-CB 4.45Å; L668-L791 HydrophobicContact CD1-CB 4.1Å; L668-L791 HydrophobicContact CD1-CD2 4.19Å; L668-L791 HydrophobicContact CD1-CG 4.32Å; L697-L791 HydrophobicContact CD1-CD2 3.76Å; V751-L791 HydrophobicContact CB-CD1 4.16Å; V751-L791 HydrophobicContact CG1-CD1 3.48Å; V751-L791 VanDerWaalsContact CG1-CD1 3.48Å; V751-L791 HydrophobicContact CG2-CD1 3.66Å; V751-L791 HydrophobicContact CG2-CD2 4.01Å; V751-L791 HydrophobicContact CG2-CG 4.41Å; I756-L791 HydrophobicContact CD1-CD1 4.34Å; L791-E793 PolarHBondContact O-N 3.26Å; L791-F794 PolarHBondContact O-N 3.47Å; L791-I795 HydrophobicContact CD1-CG2 4.09Å; L791-I795 HydrophobicContact CG-CD1 4.42Å; L791-I795 HydrophobicContact CG-CG2 4.1Å; L791-I795 WeakPolarHBondContact O-CG1 3.44Å; L791-I795 PolarHBondContact O-N 3.24Å
792S84.7Confident79.8Confident29 Ų2957.2 Ų57.220%0.20329%0.288CS..G310 helixtrans-62.3-22179.765.20000113.7D669 A670 N790 F794D669-S792 WeakPolarHBondContact OD1-CB 3.48Å; D669-S792 PolarHBondContact OD1-OG 3.13Å; A670-S792 VanDerWaalsContact O-CB 3.28Å; A670-S792 WeakPolarHBondContact O-CB 3.27Å; N790-S792 PolarHBondContact ND2-OG 2.9Å; N790-S792 VanDerWaalsContact ND2-OG 3.17Å; N790-S792 PolarHBondContact O-N 2.9Å; N790-S792 PolarHBondContact OD1-N 2.96Å; N790-S792 PolarHBondContact OD1-OG 2.97Å; S792-F794 VanDerWaalsContact C-N 3.31Å
793E84.7Confident81.5Confident128 Ų12857.8 Ų57.860%0.59829%0.291SS*.G310 helixtrans-74.3-20.7176.5-65.1171.7-171.900113N790 L791N790-E793 HydrophobicContact CB-CG 4.08Å; N790-E793 WeakPolarHBondContact O-CB 3.07Å; N790-E793 PolarHBondContact O-N 3.26Å; L791-E793 PolarHBondContact O-N 3.26Å
794F84.6Confident83.2Confident56 Ų5656.5 Ų56.525%0.24629%0.293CS..THydrogen-bonded Turntrans-111.8-9-172-59.7-84.9000113.9P752 I756 R789 N790 L791 S792P752-F794 HydrophobicContact CG-CB 4.48Å; I756-F794 HydrophobicContact CD1-CB 4.02Å; I756-F794 HydrophobicContact CD1-CD1 4.42Å; I756-F794 HydrophobicContact CD1-CD2 4.13Å; I756-F794 HydrophobicContact CD1-CG 3.93Å; I756-F794 HydrophobicContact CG1-CB 4.18Å; I756-F794 HydrophobicContact CG1-CD1 3.7Å; I756-F794 HydrophobicContact CG1-CD2 4.09Å; I756-F794 HydrophobicContact CG1-CE1 4.06Å; I756-F794 HydrophobicContact CG1-CE2 4.44Å; I756-F794 HydrophobicContact CG1-CG 3.71Å; I756-F794 HydrophobicContact CG1-CZ 4.42Å; R789-F794 HydrophobicContact CB-CE2 4.1Å; N790-F794 VanDerWaalsContact O-CD2 3.25Å; N790-F794 WeakPolarHBondContact O-CD2 3.41Å; N790-F794 WeakPolarHBondContact O-CE2 3.44Å; L791-F794 PolarHBondContact O-N 3.47Å; S792-F794 VanDerWaalsContact C-N 3.31Å
795I84.8Confident84.8Confident7 Ų757.8 Ų57.84%0.03629%0.287CS..  trans-105.1131-179.962.4-177.9000110.1L668 P672 V749 L791 I800L668-I795 HydrophobicContact CD1-CD1 3.98Å; P672-I795 HydrophobicContact CG-CG1 4.04Å; P672-I795 WeakPolarHBondContact CG-O 3.4Å; V749-I795 HydrophobicContact CG1-CD1 4.18Å; V749-I795 HydrophobicContact CG1-CG2 3.86Å; L791-I795 HydrophobicContact CD1-CG2 4.09Å; L791-I795 HydrophobicContact CG-CD1 4.42Å; L791-I795 HydrophobicContact CG-CG2 4.1Å; L791-I795 WeakPolarHBondContact O-CG1 3.44Å; L791-I795 PolarHBondContact O-N 3.24Å; I795-I800 HydrophobicContact CB-CD1 4.33Å; I795-I800 HydrophobicContact CD1-CD1 4.05Å; I795-I800 HydrophobicContact CG1-CD1 4.2Å
796T83.6Confident85.9Confident70 Ų7055.8 Ų55.843%0.42928%0.275SS..  trans-105.3172.1172.176.60000110.6G798 N799 I800T796-G798 PolarHBondContact O-N 3.46Å; T796-G798 VanDerWaalsContact O-N 3.17Å; T796-G798 PolarHBondContact OG1-N 3.44Å; T796-N799 WeakPolarHBondContact CB-OD1 3.2Å; T796-N799 PolarHBondContact N-OD1 3.39Å; T796-N799 PolarHBondContact O-N 2.95Å; T796-N799 PolarHBondContact OG1-OD1 2.83Å; T796-I800 WeakPolarHBondContact O-CD1 3.44Å
797R81.4Confident86.7Confident194 Ų19455.4 Ų55.473%0.73227%0.273SS*.G310 helixtrans-56.9-28.3173.5-76.4-171.9179.9-174.90.8113.2P672 N799P672-R797 HydrophobicContact CB-CG 3.99Å; R797-N799 VanDerWaalsContact C-N 3.31Å
798G81.2Confident87.1Confident37 Ų3755.6 Ų55.638%0.38127%0.272SS..G310 helixtrans-72.1-25177.500000113.6T796 I800T796-G798 PolarHBondContact O-N 3.46Å; T796-G798 VanDerWaalsContact O-N 3.17Å; T796-G798 PolarHBondContact OG1-N 3.44Å; G798-I800 VanDerWaalsContact C-N 3.27Å; G798-I800 PolarHBondContact O-N 3.41Å
799N83.4Confident87.5Confident4 Ų452.5 Ų52.52%0.02126%0.262CS..G310 helixtrans-84.5-0.2-179.2-58.7101.5000113.2M750 T796 R797M750-N799 HydrophobicContact CB-CB 4.12Å; M750-N799 WeakPolarHBondContact CB-O 3.19Å; M750-N799 PolarHBondContact N-O 2.93Å; T796-N799 WeakPolarHBondContact CB-OD1 3.2Å; T796-N799 PolarHBondContact N-OD1 3.39Å; T796-N799 PolarHBondContact O-N 2.95Å; T796-N799 PolarHBondContact OG1-OD1 2.83Å; R797-N799 VanDerWaalsContact C-N 3.31Å
800I89.4Confident87.8Confident20 Ų2048.6 Ų48.610%0.10325%0.248CC..EExtended strand (participates in β ladder)trans-127.1129.5-169.7-60158.5000109.1I671 P672 W747 L748 V749 I795 T796 G798I671-I800 HydrophobicContact CG2-CD1 3.95Å; I671-I800 HydrophobicContact CG2-CG2 4.03Å; P672-I800 HydrophobicContact CB-CD1 3.91Å; P672-I800 VanDerWaalsContact CD-CD1 3.46Å; P672-I800 HydrophobicContact CG-CD1 3.7Å; W747-I800 HydrophobicContact CB-CG2 4.16Å; W747-I800 HydrophobicContact CG-CG2 4.31Å; L748-I800 WeakPolarHBondContact O-CA 3.34Å; V749-I800 HydrophobicContact CG1-CG1 4.39Å; V749-I800 HydrophobicContact CG2-CG1 4.5Å; I795-I800 HydrophobicContact CB-CD1 4.33Å; I795-I800 HydrophobicContact CD1-CD1 4.05Å; I795-I800 HydrophobicContact CG1-CD1 4.2Å; T796-I800 WeakPolarHBondContact O-CD1 3.44Å; G798-I800 VanDerWaalsContact C-N 3.27Å; G798-I800 PolarHBondContact O-N 3.41Å
801E92.1Very high88.2Confident49 Ų4948.1 Ų48.123%0.22925%0.245CC..EExtended strand (participates in β ladder)trans-114.5122.9170.5169.667.1174.900109.3Y7 W747 L748 L803 Y832Y7-E801 HydrophobicContact CD2-CB 3.53Å; Y7-E801 HydrophobicContact CE2-CB 4.06Å; Y7-E801 HydrophobicContact CG-CB 3.86Å; W747-E801 WeakPolarHBondContact CA-O 3.5Å; L748-E801 HydrophobicContact CB-CB 4.31Å; L748-E801 PolarHBondContact N-O 2.96Å; L748-E801 PolarHBondContact O-N 2.93Å; E801-L803 HydrophobicContact CG-CD2 4.3Å; E801-Y832 HydrophobicContact CG-CE1 3.72Å; E801-Y832 WeakPolarHBondContact OE1-CE1 3.47Å; E801-Y832 PolarHBondContact OE1-OH 3.09Å
802A91.6Very high88.6Confident64 Ų6448.7 Ų48.753%0.52925%0.249SC..EExtended strand (participates in β ladder)trans-77.4125.8176.200000109.9
803L92.9Very high88.9Confident15 Ų1547.9 Ų47.98%0.07924%0.242CC..EExtended strand (participates in β ladder)trans-95.2139.7-176.3-60.2173.6000110.6S746 L748 E801 W805 A807 V821 F823 Y832S746-L803 WeakPolarHBondContact O-CB 3.37Å; S746-L803 PolarHBondContact O-N 2.98Å; L748-L803 HydrophobicContact CB-CD1 4.2Å; L748-L803 HydrophobicContact CB-CD2 4.39Å; L748-L803 HydrophobicContact CB-CG 4.41Å; E801-L803 HydrophobicContact CG-CD2 4.3Å; L803-W805 VanDerWaalsContact C-N 3.28Å; L803-W805 PolarHBondContact O-N 3.29Å; L803-A807 HydrophobicContact CD1-CB 3.47Å; L803-A807 VanDerWaalsContact CD1-CB 3.47Å; L803-V821 HydrophobicContact CD1-CG1 4.1Å; L803-F823 HydrophobicContact CB-CE1 4.2Å; L803-Y832 HydrophobicContact CD2-CE2 4.26Å; L803-Y832 WeakPolarHBondContact CD2-OH 3.39Å
804P88.9Confident89Confident57 Ų5742.8 Ų42.837%0.3722%0.224SC..SBendtrans-71.5-22.4-174.131.5-42.4000113.6F823 R830P804-F823 HydrophobicContact CG-CE1 4.33Å; P804-F823 HydrophobicContact CG-CZ 4.16Å; P804-R830 VanDerWaalsContact CD-CZ 3.43Å; P804-R830 VanDerWaalsContact CG-CZ 3.4Å
805W90.2Very high89Confident131 Ų13147.2 Ų47.250%0.49625%0.25SS..SBendtrans-141166.6-175.2-54.3-65.9000109.4T12 L803 A807 F823 T828T12-W805 HydrophobicContact CG2-CH2 4.25Å; T12-W805 HydrophobicContact CG2-CZ3 4.03Å; L803-W805 VanDerWaalsContact C-N 3.28Å; L803-W805 PolarHBondContact O-N 3.29Å; W805-A807 PolarHBondContact O-N 2.88Å; W805-A807 VanDerWaalsContact O-N 3.09Å; W805-F823 HydrophobicContact CB-CD1 3.66Å; W805-F823 HydrophobicContact CB-CE1 4.12Å; W805-F823 HydrophobicContact CB-CG 4.21Å; W805-F823 HydrophobicContact CE3-CD1 4.25Å; W805-F823 AromaticContact CE3-CD2 4Å; W805-F823 HydrophobicContact CE3-CD2 4Å; W805-F823 HydrophobicContact CE3-CE1 4.19Å; W805-F823 AromaticContact CE3-CE2 3.96Å; W805-F823 HydrophobicContact CE3-CE2 3.96Å; W805-F823 HydrophobicContact CE3-CG 4.16Å; W805-F823 HydrophobicContact CE3-CZ 4.05Å; W805-F823 HydrophobicContact CZ3-CE2 4.33Å; W805-F823 WeakPolarHBondContact O-CD1 3.35Å; W805-F823 WeakPolarHBondContact O-CE1 3.46Å; W805-T828 HydrophobicContact CE3-CG2 4.07Å; W805-T828 HydrophobicContact CZ3-CG2 3.79Å
806H91.5Very high89.2Confident24 Ų2452.9 Ų52.911%0.11127%0.271CS..  trans-62.7113.1176.5-172.943000111M744 S746 F823 E824M744-H806 HydrophobicContact CB-CB 4.02Å; S746-H806 PolarHBondContact OG-ND1 3.02Å; H806-F823 WeakPolarHBondContact O-CA 3.46Å; H806-E824 HydrophobicContact CB-CB 4.3Å; H806-E824 IonicContact CD2-OE2 2.63Å; H806-E824 PolarHBondContact O-N 3.31Å
807A92.1Very high89.6Confident0 Ų051.4 Ų51.40%026%0.264CS..EExtended strand (participates in β ladder)trans-92.8139.3177.800000110.4I698 S746 L803 W805 V821 F823I698-A807 HydrophobicContact CD1-CB 4.1Å; I698-A807 HydrophobicContact CG2-CB 3.9Å; I698-A807 WeakPolarHBondContact CG2-O 3.38Å; S746-A807 PolarHBondContact OG-N 3.38Å; L803-A807 HydrophobicContact CD1-CB 3.47Å; L803-A807 VanDerWaalsContact CD1-CB 3.47Å; W805-A807 PolarHBondContact O-N 2.88Å; W805-A807 VanDerWaalsContact O-N 3.09Å; A807-V821 HydrophobicContact CB-CG1 3.66Å; A807-F823 HydrophobicContact CB-CD1 4.04Å; A807-F823 HydrophobicContact CB-CE1 4.07Å
808I90Very high90.1Very high41 Ų4142.4 Ų42.421%0.2123%0.23CC..EExtended strand (participates in β ladder)trans-121.2-20-170.957.5163.6000113.4L822 E824 H826I808-L822 HydrophobicContact CD1-CD2 4.31Å; I808-L822 HydrophobicContact CD1-CG 4.5Å; I808-L822 HydrophobicContact CG1-CG 4.49Å; I808-L822 WeakPolarHBondContact CG1-O 3.43Å; I808-L822 PolarHBondContact N-O 3.33Å; I808-E824 HydrophobicContact CG2-CB 3.97Å; I808-E824 HydrophobicContact CG2-CG 4.39Å; I808-H826 WeakPolarHBondContact CD1-CE1 3.47Å
809K91.6Very high90.8Very high74 Ų7440.7 Ų40.732%0.32221%0.212SC..EExtended strand (participates in β ladder)trans-155.8143.6-174.9-169167.3-176.5165.70111.7V21 D686 I698 L822V21-K809 PolarHBondContact O-NZ 3Å; D686-K809 VanDerWaalsContact OD2-CA 3.27Å; D686-K809 WeakPolarHBondContact OD2-CA 3.48Å; I698-K809 VanDerWaalsContact CD1-C 3.45Å; K809-L822 HydrophobicContact CB-CB 4.24Å; K809-L822 PolarHBondContact O-N 2.95Å
810L94Very high91.4Very high5 Ų540.5 Ų40.53%0.02621%0.211CC..EExtended strand (participates in β ladder)trans-125.4153172.172.998.9000111.9D686 Q688 L696 I698 L748 F820D686-L810 HydrophobicContact CB-CD2 4.48Å; D686-L810 PolarHBondContact OD2-N 2.88Å; Q688-L810 HydrophobicContact CB-CD1 3.53Å; Q688-L810 HydrophobicContact CB-CG 4.44Å; L696-L810 HydrophobicContact CB-CD1 4.16Å; L696-L810 HydrophobicContact CB-CD2 4.35Å; L696-L810 HydrophobicContact CD1-CD1 4.45Å; I698-L810 HydrophobicContact CB-CD2 4.48Å; I698-L810 HydrophobicContact CD1-CB 3.72Å; I698-L810 HydrophobicContact CD1-CD2 3.91Å; I698-L810 HydrophobicContact CD1-CG 4.3Å; I698-L810 HydrophobicContact CG1-CB 4.31Å; I698-L810 HydrophobicContact CG1-CD2 3.69Å; L748-L810 HydrophobicContact CD1-CD2 4.38Å; L810-F820 CarbonylContact C-O 3.55Å; L810-F820 VanDerWaalsContact CA-O 3.24Å; L810-F820 WeakPolarHBondContact CA-O 3.36Å
811T94.1Very high91.7Very high4 Ų439.5 Ų39.53%0.02521%0.206CC..EExtended strand (participates in β ladder)trans-142.2143.6163.5-174.20000111C23 W25 I32 F820C23-T811 HydrophobicContact CB-CG2 4.28Å; W25-T811 PolarHBondContact NE1-O 3.31Å; I32-T811 HydrophobicContact CD1-CG2 4.1Å; T811-F820 HydrophobicContact CG2-CB 3.74Å; T811-F820 HydrophobicContact CG2-CD1 3.85Å; T811-F820 HydrophobicContact CG2-CG 4.12Å; T811-F820 PolarHBondContact N-O 3.46Å; T811-F820 PolarHBondContact O-N 2.95Å
812T93.9Very high91.8Very high13 Ų1337.3 Ų37.38%0.0820%0.196CC..EExtended strand (participates in β ladder)trans-134.1154.8-177-176.30000113.5Q688 Y690 L696 I818Q688-T812 VanDerWaalsContact OE1-N 3.11Å; Y690-T812 HydrophobicContact CD2-CG2 4.39Å; Y690-T812 WeakPolarHBondContact CD2-OG1 3.13Å; L696-T812 HydrophobicContact CD1-CG2 4.15Å; T812-I818 WeakPolarHBondContact CA-O 3.35Å; T812-I818 PolarHBondContact OG1-O 3.3Å
813N91.3Very high91.9Very high13 Ų1334.4 Ų34.47%0.0717%0.171CC..EExtended strand (participates in β ladder)trans-123.6106.7160.4178-16.3000108.6W25 S26 P27 D815 R816 S817 I818W25-N813 HydrophobicContact CB-CB 3.87Å; W25-N813 HydrophobicContact CG-CB 4.21Å; S26-N813 PolarHBondContact O-ND2 2.93Å; P27-N813 PolarHBondContact O-ND2 3.34Å; N813-D815 PolarHBondContact O-N 3.03Å; N813-D815 WeakPolarHBondContact OD1-CB 3.12Å; N813-D815 PolarHBondContact OD1-N 3.49Å; N813-R816 HydrophobicContact CB-CB 4.37Å; N813-R816 PolarHBondContact O-N 3.36Å; N813-R816 PolarHBondContact OD1-N 3.41Å; N813-S817 PolarHBondContact O-N 3.42Å; N813-S817 VanDerWaalsContact O-N 3.1Å; N813-I818 HydrophobicContact CB-CD1 4.17Å; N813-I818 HydrophobicContact CB-CG1 3.83Å; N813-I818 PolarHBondContact N-O 3.11Å; N813-I818 PolarHBondContact O-N 3.48Å
814G85.5Confident91.6Very high20 Ų2039.2 Ų39.221%0.20619%0.193CC..G310 helixtrans-65.1-33.2-178.400000114.4Y690 R816 S817Y690-G814 WeakPolarHBondContact O-CA 3.48Å; Y690-G814 PolarHBondContact OH-O 2.92Å; G814-R816 PolarHBondContact O-N 3.49Å; G814-S817 PolarHBondContact O-N 3.49Å
815D85.7Confident91.5Very high149 Ų14939.9 Ų39.980%0.79719%0.194SC*.G310 helixtrans-70-22.8178.8-67.8-17000112.3N813N813-D815 PolarHBondContact O-N 3.03Å; N813-D815 WeakPolarHBondContact OD1-CB 3.12Å; N813-D815 PolarHBondContact OD1-N 3.49Å
816R88.6Confident91.4Very high127 Ų12737 Ų3748%0.47919%0.186SC..G310 helixtrans-1072.2179.1-66.4-59.9-169166.9-0.5113.3K28 N813 G814 I818K28-R816 PolarHBondContact O-NE 3.34Å; K28-R816 VanDerWaalsContact O-NE 3.14Å; K28-R816 PolarHBondContact O-NH2 3.29Å; N813-R816 HydrophobicContact CB-CB 4.37Å; N813-R816 PolarHBondContact O-N 3.36Å; N813-R816 PolarHBondContact OD1-N 3.41Å; G814-R816 PolarHBondContact O-N 3.49Å; R816-I818 HydrophobicContact CB-CD1 3.77Å; R816-I818 HydrophobicContact CB-CG1 3.86Å; R816-I818 PolarHBondContact O-N 3.32Å
817S91.7Very high91.3Very high39 Ų3936.9 Ų36.927%0.27319%0.187SC..THydrogen-bonded Turntrans52.838.3-178.3-58.60000114.2Y690 N813 G814 L833 M834Y690-S817 VanDerWaalsContact OH-CA 3.28Å; Y690-S817 WeakPolarHBondContact OH-CA 3.24Å; Y690-S817 PolarHBondContact OH-OG 3.2Å; N813-S817 PolarHBondContact O-N 3.42Å; N813-S817 VanDerWaalsContact O-N 3.1Å; G814-S817 PolarHBondContact O-N 3.49Å; S817-L833 CarbonylContact O-C 3.52Å; S817-L833 VanDerWaalsContact O-CA 3.28Å; S817-L833 WeakPolarHBondContact O-CA 3.23Å; S817-M834 WeakPolarHBondContact CB-O 3.31Å; S817-M834 PolarHBondContact O-N 3.15Å
818I93.1Very high91.3Very high5 Ų537.5 Ų37.53%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-119.2141.4-177.352.6-173.1000111.9W25 T812 N813 R816 Y832 L833W25-I818 HydrophobicContact CD2-CD1 3.71Å; W25-I818 HydrophobicContact CD2-CG1 4.1Å; W25-I818 HydrophobicContact CE3-CD1 3.38Å; W25-I818 HydrophobicContact CE3-CG1 4.26Å; W25-I818 HydrophobicContact CG-CD1 4.43Å; W25-I818 HydrophobicContact CH2-CD1 4.01Å; W25-I818 HydrophobicContact CZ2-CB 4.29Å; W25-I818 HydrophobicContact CZ2-CD1 4.25Å; W25-I818 HydrophobicContact CZ2-CG1 4.37Å; W25-I818 HydrophobicContact CZ3-CD1 3.57Å; T812-I818 WeakPolarHBondContact CA-O 3.35Å; T812-I818 PolarHBondContact OG1-O 3.3Å; N813-I818 HydrophobicContact CB-CD1 4.17Å; N813-I818 HydrophobicContact CB-CG1 3.83Å; N813-I818 PolarHBondContact N-O 3.11Å; N813-I818 PolarHBondContact O-N 3.48Å; R816-I818 HydrophobicContact CB-CD1 3.77Å; R816-I818 HydrophobicContact CB-CG1 3.86Å; R816-I818 PolarHBondContact O-N 3.32Å; I818-Y832 WeakPolarHBondContact CA-O 3.29Å; I818-L833 HydrophobicContact CG2-CD2 3.39Å; I818-L833 HydrophobicContact CG2-CG 4.36Å
819V94.8Very high91.5Very high0 Ų035.5 Ų35.50%018%0.181CC..EExtended strand (participates in β ladder)trans-131.9135.1177.3-176.20000109.3L696 L748 V821 V831 Y832 M834L696-V819 HydrophobicContact CD1-CG1 4.15Å; L696-V819 HydrophobicContact CD1-CG2 3.74Å; L748-V819 HydrophobicContact CD2-CG1 4.19Å; V819-V821 HydrophobicContact CG1-CG2 4.35Å; V819-V831 CarbonylContact O-C 3.54Å; V819-V831 WeakPolarHBondContact O-CA 3.34Å; V819-Y832 PolarHBondContact N-O 3.18Å; V819-Y832 PolarHBondContact O-N 3.49Å; V819-M834 HydrophobicContact CG2-CG 3.88Å; V819-M834 HydrophobicContact CG2-SD 3.82Å
820F95.6Very high91.7Very high0 Ų033.8 Ų33.80%017%0.172CC..EExtended strand (participates in β ladder)trans-114.2135.6174.4175.3-91.2000109.1C23 W25 I32 L34 M48 L810 T811 L822 C829 R830 V831C23-F820 HydrophobicContact CB-CD1 4.35Å; C23-F820 HydrophobicContact CB-CE1 3.95Å; W25-F820 HydrophobicContact CZ2-CB 3.77Å; I32-F820 HydrophobicContact CD1-CB 3.87Å; I32-F820 HydrophobicContact CD1-CD1 4.08Å; I32-F820 HydrophobicContact CD1-CD2 3.52Å; I32-F820 HydrophobicContact CD1-CE1 4.47Å; I32-F820 HydrophobicContact CD1-CE2 3.96Å; I32-F820 HydrophobicContact CD1-CG 3.56Å; I32-F820 HydrophobicContact CD1-CZ 4.42Å; L34-F820 HydrophobicContact CD2-CE2 4.47Å; L34-F820 HydrophobicContact CD2-CZ 4.12Å; M48-F820 HydrophobicContact CE-CD2 3.25Å; M48-F820 HydrophobicContact CE-CE2 3.24Å; M48-F820 HydrophobicContact SD-CE2 4.21Å; L810-F820 CarbonylContact C-O 3.55Å; L810-F820 VanDerWaalsContact CA-O 3.24Å; L810-F820 WeakPolarHBondContact CA-O 3.36Å; T811-F820 HydrophobicContact CG2-CB 3.74Å; T811-F820 HydrophobicContact CG2-CD1 3.85Å; T811-F820 HydrophobicContact CG2-CG 4.12Å; T811-F820 PolarHBondContact N-O 3.46Å; T811-F820 PolarHBondContact O-N 2.95Å; F820-L822 HydrophobicContact CE1-CB 3.94Å; F820-L822 HydrophobicContact CE1-CD1 4.4Å; F820-L822 HydrophobicContact CZ-CD1 4.34Å; F820-C829 HydrophobicContact CD2-CB 4.24Å; F820-C829 HydrophobicContact CE1-CB 4.27Å; F820-C829 HydrophobicContact CE2-CB 3.32Å; F820-C829 HydrophobicContact CZ-CB 3.34Å; F820-R830 CarbonylContact C-O 3.51Å; F820-R830 WeakPolarHBondContact CA-O 3.38Å; F820-V831 HydrophobicContact CD2-CG2 4.05Å
821V95.9Very high91.8Very high0 Ų033.5 Ų33.50%017%0.171CC..EExtended strand (participates in β ladder)trans-125.4129.1177.6-179.90000109.2I698 L748 L803 A807 V819 F823 C829 R830 Y832I698-V821 HydrophobicContact CD1-CG1 4.32Å; L748-V821 HydrophobicContact CD2-CG2 4.11Å; L803-V821 HydrophobicContact CD1-CG1 4.1Å; A807-V821 HydrophobicContact CB-CG1 3.66Å; V819-V821 HydrophobicContact CG1-CG2 4.35Å; V821-F823 HydrophobicContact CG1-CE1 4.41Å; V821-F823 HydrophobicContact CG1-CZ 4.27Å; V821-C829 CarbonylContact O-C 3.43Å; V821-C829 WeakPolarHBondContact O-CA 3.45Å; V821-C829 WeakPolarHBondContact O-CB 3.36Å; V821-R830 PolarHBondContact N-O 3.46Å; V821-R830 PolarHBondContact O-N 2.84Å; V821-Y832 HydrophobicContact CG2-CD2 4.2Å; V821-Y832 HydrophobicContact CG2-CE2 4.07Å
822L94Very high91.8Very high2 Ų233.3 Ų33.31%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-106.1138176.3-17268.4000110.7I20 I808 K809 F820 C829I20-L822 HydrophobicContact CB-CD1 4.24Å; I20-L822 HydrophobicContact CB-CD2 4.23Å; I20-L822 HydrophobicContact CD1-CD1 3.93Å; I20-L822 HydrophobicContact CG2-CD2 4.24Å; I808-L822 HydrophobicContact CD1-CD2 4.31Å; I808-L822 HydrophobicContact CD1-CG 4.5Å; I808-L822 HydrophobicContact CG1-CG 4.49Å; I808-L822 WeakPolarHBondContact CG1-O 3.43Å; I808-L822 PolarHBondContact N-O 3.33Å; K809-L822 HydrophobicContact CB-CB 4.24Å; K809-L822 PolarHBondContact O-N 2.95Å; F820-L822 HydrophobicContact CE1-CB 3.94Å; F820-L822 HydrophobicContact CE1-CD1 4.4Å; F820-L822 HydrophobicContact CZ-CD1 4.34Å; L822-C829 HydrophobicContact CD1-CB 4.39Å
823F93.7Very high91.7Very high3 Ų334.5 Ų34.51%0.01318%0.175CC..EExtended strand (participates in β ladder)trans-98.7162.3179.7-61.5-77.1000112.8L803 P804 W805 H806 A807 V821 N825 H826 T828 R830L803-F823 HydrophobicContact CB-CE1 4.2Å; P804-F823 HydrophobicContact CG-CE1 4.33Å; P804-F823 HydrophobicContact CG-CZ 4.16Å; W805-F823 HydrophobicContact CB-CD1 3.66Å; W805-F823 HydrophobicContact CB-CE1 4.12Å; W805-F823 HydrophobicContact CB-CG 4.21Å; W805-F823 HydrophobicContact CE3-CD1 4.25Å; W805-F823 AromaticContact CE3-CD2 4Å; W805-F823 HydrophobicContact CE3-CD2 4Å; W805-F823 HydrophobicContact CE3-CE1 4.19Å; W805-F823 AromaticContact CE3-CE2 3.96Å; W805-F823 HydrophobicContact CE3-CE2 3.96Å; W805-F823 HydrophobicContact CE3-CG 4.16Å; W805-F823 HydrophobicContact CE3-CZ 4.05Å; W805-F823 HydrophobicContact CZ3-CE2 4.33Å; W805-F823 WeakPolarHBondContact O-CD1 3.35Å; W805-F823 WeakPolarHBondContact O-CE1 3.46Å; H806-F823 WeakPolarHBondContact O-CA 3.46Å; A807-F823 HydrophobicContact CB-CD1 4.04Å; A807-F823 HydrophobicContact CB-CE1 4.07Å; V821-F823 HydrophobicContact CG1-CE1 4.41Å; V821-F823 HydrophobicContact CG1-CZ 4.27Å; F823-N825 PolarHBondContact O-N 2.95Å; F823-H826 WeakPolarHBondContact O-CA 3.38Å; F823-H826 PolarHBondContact O-N 3.49Å; F823-T828 HydrophobicContact CD2-CG2 3.8Å; F823-T828 WeakPolarHBondContact CD2-O 3.36Å; F823-T828 HydrophobicContact CE2-CG2 4.37Å; F823-T828 PolarHBondContact N-O 3.46Å; F823-R830 HydrophobicContact CE2-CB 4.06Å; F823-R830 HydrophobicContact CE2-CG 3.82Å; F823-R830 HydrophobicContact CZ-CB 4.35Å; F823-R830 HydrophobicContact CZ-CG 4.12Å
824E88.4Confident91.6Very high117 Ų11734.1 Ų34.155%0.54717%0.173SC..THydrogen-bonded Turntrans-53-27.9-173.6-172.9-178.1-167.100114.8H806 I808 H826H806-E824 HydrophobicContact CB-CB 4.3Å; H806-E824 IonicContact CD2-OE2 2.63Å; H806-E824 PolarHBondContact O-N 3.31Å; I808-E824 HydrophobicContact CG2-CB 3.97Å; I808-E824 HydrophobicContact CG2-CG 4.39Å; E824-H826 PolarHBondContact O-CD2 3.15Å; E824-H826 PolarHBondContact O-N 2.89Å; E824-H826 VanDerWaalsContact O-N 3.11Å
825N86.6Confident91.3Very high70 Ų7037.3 Ų37.337%0.37418%0.183SC..THydrogen-bonded Turntrans-72.20.9175.372.1-3.2000113.9F823 S827 T828F823-N825 PolarHBondContact O-N 2.95Å; N825-S827 VanDerWaalsContact CG-OG 3.28Å; N825-S827 PolarHBondContact ND2-OG 3.22Å; N825-S827 PolarHBondContact O-N 3.02Å; N825-S827 PolarHBondContact O-OG 3.39Å; N825-S827 PolarHBondContact OD1-N 3.43Å; N825-S827 VanDerWaalsContact OD1-N 3.08Å; N825-S827 PolarHBondContact OD1-OG 3.24Å; N825-T828 PolarHBondContact ND2-OG1 3.08Å; N825-T828 WeakPolarHBondContact OD1-CB 3.36Å; N825-T828 PolarHBondContact OD1-N 3.39Å
826H87.8Confident90.6Very high71 Ų7139 Ų3933%0.32918%0.178SC..SBendtrans55.214-179-64.7-90.8000115K19 I20 I808 F823 E824K19-H826 HydrophobicContact CB-CB 3.74Å; K19-H826 HydrophobicContact CG-CB 4.11Å; I20-H826 WeakPolarHBondContact CB-O 3.34Å; I20-H826 WeakPolarHBondContact CG1-O 3.4Å; I20-H826 PolarHBondContact N-O 2.95Å; I20-H826 PolarHBondContact O-ND1 3.25Å; I808-H826 WeakPolarHBondContact CD1-CE1 3.47Å; F823-H826 WeakPolarHBondContact O-CA 3.38Å; F823-H826 PolarHBondContact O-N 3.49Å; E824-H826 PolarHBondContact O-CD2 3.15Å; E824-H826 PolarHBondContact O-N 2.89Å; E824-H826 VanDerWaalsContact O-N 3.11Å
827S89.8Confident89.3Confident21 Ų2136.4 Ų36.415%0.14718%0.177CC..SBendtrans-134.6-27.3-173.146.40000112.2L15 N825L15-S827 WeakPolarHBondContact CB-O 3.45Å; L15-S827 PolarHBondContact N-O 3.06Å; L15-S827 WeakPolarHBondContact O-CB 3.16Å; N825-S827 VanDerWaalsContact CG-OG 3.28Å; N825-S827 PolarHBondContact ND2-OG 3.22Å; N825-S827 PolarHBondContact O-N 3.02Å; N825-S827 PolarHBondContact O-OG 3.39Å; N825-S827 PolarHBondContact OD1-N 3.43Å; N825-S827 VanDerWaalsContact OD1-N 3.08Å; N825-S827 PolarHBondContact OD1-OG 3.24Å
828T92Very high87.3Confident13 Ų1343 Ų438%0.0820%0.204CC..EExtended strand (participates in β ladder)trans-89136172.5-58.60000109.7R13 W805 F823 N825R13-T828 CarbonylContact O-C 3.58Å; R13-T828 WeakPolarHBondContact O-CA 3.29Å; W805-T828 HydrophobicContact CE3-CG2 4.07Å; W805-T828 HydrophobicContact CZ3-CG2 3.79Å; F823-T828 HydrophobicContact CD2-CG2 3.8Å; F823-T828 WeakPolarHBondContact CD2-O 3.36Å; F823-T828 HydrophobicContact CE2-CG2 4.37Å; F823-T828 PolarHBondContact N-O 3.46Å; N825-T828 PolarHBondContact ND2-OG1 3.08Å; N825-T828 WeakPolarHBondContact OD1-CB 3.36Å; N825-T828 PolarHBondContact OD1-N 3.39Å
829C93.7Very high85.2Confident0 Ų048.3 Ų48.30%024%0.239CC..EExtended strand (participates in β ladder)trans-137.8159.8175.564.10000112.2R13 F820 V821 L822R13-C829 PolarHBondContact N-O 3.16Å; R13-C829 PolarHBondContact O-N 3.27Å; F820-C829 HydrophobicContact CD2-CB 4.24Å; F820-C829 HydrophobicContact CE1-CB 4.27Å; F820-C829 HydrophobicContact CE2-CB 3.32Å; F820-C829 HydrophobicContact CZ-CB 3.34Å; V821-C829 CarbonylContact O-C 3.43Å; V821-C829 WeakPolarHBondContact O-CA 3.45Å; V821-C829 WeakPolarHBondContact O-CB 3.36Å; L822-C829 HydrophobicContact CD1-CB 4.39Å
830R95.3Very high82.6Confident37 Ų3755 Ų5514%0.1428%0.275CS..EExtended strand (participates in β ladder)trans-125.9147.4168.9-85.1-174.8176.5-171.2-0.4111.3L9 E11 T12 P804 F820 V821 F823 Y832L9-R830 HydrophobicContact CD1-CB 4.17Å; L9-R830 HydrophobicContact CD1-CG 3.95Å; E11-R830 WeakPolarHBondContact O-CA 3.49Å; T12-R830 HydrophobicContact CG2-CG 4.02Å; T12-R830 WeakPolarHBondContact OG1-CG 3.39Å; T12-R830 PolarHBondContact OG1-NE 2.71Å; T12-R830 VanDerWaalsContact OG1-NE 3.14Å; P804-R830 VanDerWaalsContact CD-CZ 3.43Å; P804-R830 VanDerWaalsContact CG-CZ 3.4Å; F820-R830 CarbonylContact C-O 3.51Å; F820-R830 WeakPolarHBondContact CA-O 3.38Å; V821-R830 PolarHBondContact N-O 3.46Å; V821-R830 PolarHBondContact O-N 2.84Å; F823-R830 HydrophobicContact CE2-CB 4.06Å; F823-R830 HydrophobicContact CE2-CG 3.82Å; F823-R830 HydrophobicContact CZ-CB 4.35Å; F823-R830 HydrophobicContact CZ-CG 4.12Å; R830-Y832 HydrophobicContact CB-CD2 4.32Å; R830-Y832 HydrophobicContact CB-CE2 3.62Å; R830-Y832 VanDerWaalsContact CD-OH 3.28Å; R830-Y832 WeakPolarHBondContact CD-OH 3.49Å; R830-Y832 PolarHBondContact NH1-OH 3.39Å; R830-Y832 VanDerWaalsContact NH1-OH 3.1Å
831V95.4Very high80Confident0 Ų064.2 Ų64.20%032%0.318CS..EExtended strand (participates in β ladder)trans-120.6131.4173.7-176.40000109.2V10 E11 W25 Y46 M48 V819 F820V10-V831 HydrophobicContact CB-CB 4.46Å; V10-V831 HydrophobicContact CB-CG1 4.44Å; V10-V831 PolarHBondContact N-O 3.3Å; E11-V831 HydrophobicContact CB-CB 4.49Å; E11-V831 PolarHBondContact N-O 3.28Å; E11-V831 PolarHBondContact O-N 3.35Å; W25-V831 HydrophobicContact CH2-CG1 4.14Å; W25-V831 HydrophobicContact CZ2-CG1 4.14Å; Y46-V831 WeakPolarHBondContact O-CG2 3.46Å; M48-V831 HydrophobicContact CE-CG2 3.16Å; M48-V831 HydrophobicContact CG-CG2 4.11Å; V819-V831 CarbonylContact O-C 3.54Å; V819-V831 WeakPolarHBondContact O-CA 3.34Å; F820-V831 HydrophobicContact CD2-CG2 4.05Å
832Y94.7Very high77.2Confident0 Ų069.7 Ų69.70%035%0.352CS..EExtended strand (participates in β ladder)trans-120.2144179.1-63.9-89.7000110.2S8 L9 L748 E801 L803 I818 V819 V821 R830S8-Y832 CarbonylContact O-C 3.49Å; S8-Y832 VanDerWaalsContact O-CA 3.27Å; S8-Y832 WeakPolarHBondContact O-CA 3.41Å; L9-Y832 HydrophobicContact CB-CD1 4.14Å; L9-Y832 HydrophobicContact CB-CE1 3.96Å; L9-Y832 HydrophobicContact CD1-CD1 4.16Å; L9-Y832 HydrophobicContact CD1-CE1 3.78Å; L9-Y832 HydrophobicContact CD1-CE2 4.42Å; L9-Y832 HydrophobicContact CG-CE1 4.45Å; L748-Y832 HydrophobicContact CD2-CD2 4.44Å; E801-Y832 HydrophobicContact CG-CE1 3.72Å; E801-Y832 WeakPolarHBondContact OE1-CE1 3.47Å; E801-Y832 PolarHBondContact OE1-OH 3.09Å; L803-Y832 HydrophobicContact CD2-CE2 4.26Å; L803-Y832 WeakPolarHBondContact CD2-OH 3.39Å; I818-Y832 WeakPolarHBondContact CA-O 3.29Å; V819-Y832 PolarHBondContact N-O 3.18Å; V819-Y832 PolarHBondContact O-N 3.49Å; V821-Y832 HydrophobicContact CG2-CD2 4.2Å; V821-Y832 HydrophobicContact CG2-CE2 4.07Å; R830-Y832 HydrophobicContact CB-CD2 4.32Å; R830-Y832 HydrophobicContact CB-CE2 3.62Å; R830-Y832 VanDerWaalsContact CD-OH 3.28Å; R830-Y832 WeakPolarHBondContact CD-OH 3.49Å; R830-Y832 PolarHBondContact NH1-OH 3.39Å; R830-Y832 VanDerWaalsContact NH1-OH 3.1Å
833L92.5Very high74.3Confident37 Ų3777.7 Ų77.719%0.19439%0.391CS..EExtended strand (participates in β ladder)trans-98.7142162.5-77.2164.8000109.3S8 V10 S817 I818 E835S8-L833 PolarHBondContact N-O 3.38Å; S8-L833 PolarHBondContact O-N 2.83Å; V10-L833 HydrophobicContact CG2-CB 4.13Å; V10-L833 HydrophobicContact CG2-CD1 3.5Å; V10-L833 HydrophobicContact CG2-CG 3.52Å; S817-L833 CarbonylContact O-C 3.52Å; S817-L833 VanDerWaalsContact O-CA 3.28Å; S817-L833 WeakPolarHBondContact O-CA 3.23Å; I818-L833 HydrophobicContact CG2-CD2 3.39Å; I818-L833 HydrophobicContact CG2-CG 4.36Å; L833-E835 HydrophobicContact CB-CG 4.5Å
834M88.1Confident71.3Confident6 Ų683.4 Ų83.43%0.0343%0.426CS..EExtended strand (participates in β ladder)trans-97.899.2175.3-55-52.3-59.600108.4F5 Y7 Y690 M750 S817 V819F5-M834 HydrophobicContact CB-CE 3.99Å; F5-M834 HydrophobicContact CD1-CB 4.21Å; Y7-M834 HydrophobicContact CD1-CE 3.56Å; Y7-M834 HydrophobicContact CD1-SD 3.19Å; Y7-M834 WeakPolarHBondContact CD1-SD 2.98Å; Y7-M834 HydrophobicContact CE1-CE 3.37Å; Y7-M834 HydrophobicContact CE1-SD 3.28Å; Y7-M834 WeakPolarHBondContact CE1-SD 3.16Å; Y7-M834 HydrophobicContact CE2-CE 4.46Å; Y7-M834 HydrophobicContact CG-CE 4.17Å; Y7-M834 HydrophobicContact CG-SD 4.17Å; Y690-M834 HydrophobicContact CE2-CB 4.35Å; Y690-M834 HydrophobicContact CE2-CG 3.77Å; M750-M834 HydrophobicContact CE-CE 2.97Å; S817-M834 WeakPolarHBondContact CB-O 3.31Å; S817-M834 PolarHBondContact O-N 3.15Å; V819-M834 HydrophobicContact CG2-CG 3.88Å; V819-M834 HydrophobicContact CG2-SD 3.82Å
835E79.1Confident68.8Low87 Ų8783 Ų8341%0.40743%0.431SS..EExtended strand (participates in β ladder)trans-97.8140.8-177.9-69.6172.9-160.300109.5F5 T6 S8 L833F5-E835 CarbonylContact C-O 3.46Å; F5-E835 VanDerWaalsContact CA-O 3.25Å; F5-E835 WeakPolarHBondContact CA-O 3.44Å; T6-E835 PolarHBondContact N-O 3.49Å; T6-E835 PolarHBondContact O-N 3.43Å; T6-E835 VanDerWaalsContact O-N 3.09Å; T6-E835 PolarHBondContact OG1-O 2.89Å; S8-E835 VanDerWaalsContact CB-CD 3.49Å; S8-E835 WeakPolarHBondContact CB-OE1 3.18Å; S8-E835 PolarHBondContact OG-OE1 2.83Å; L833-E835 HydrophobicContact CB-CG 4.5Å
836R70.8Confident66.2Low185 Ų18586 Ų8670%0.69845%0.447SS*.PPolyproline II helixtrans-82.6130.8164.2-68.8-174-178.9164.3-0.5107F5 E838F5-R836 HydrophobicContact CD1-CG 3.6Å; F5-R836 HydrophobicContact CE1-CG 3.38Å; F5-R836 HydrophobicContact CZ-CG 4.16Å; R836-E838 PolarHBondContact O-N 2.73Å
837P62.2Low63.6Low71 Ų7189.8 Ų89.846%0.46147%0.47SS..PPolyproline II helixtrans-57.5126.4173.112.4-11.6000108.8D4D4-P837 HydrophobicContact CB-CG 4.01Å; D4-P837 WeakPolarHBondContact O-CD 3.41Å
838E50.6Low60.8Low177 Ų17793.5 Ų93.583%0.82750%0.496SS*.PPolyproline II helixtrans-63.2137.2168.9-69.2-168.9159.200108R836 D840R836-E838 PolarHBondContact O-N 2.73Å; E838-D840 PolarHBondContact O-N 2.79Å
839P47.9Very low58Low118 Ų11896.8 Ų96.877%0.76652%0.524SS*.PPolyproline II helixtrans-62.412317524.5-30.5000108.6E841P839-E841 PolarHBondContact O-N 3.29Å
840D40.8Very low55.1Low140 Ų140104.9 Ų104.975%0.74957%0.567SS**  trans-52.5114.6174.9-87-36.9000110E838 T842E838-D840 PolarHBondContact O-N 2.79Å; D840-T842 PolarHBondContact O-N 3.49Å
841E40.5Very low52Low193 Ų193112.7 Ų112.790%0.90261%0.605SS**THydrogen-bonded Turntrans-66.417.9173.9-70.4-171154.600113.2P839P839-E841 PolarHBondContact O-N 3.29Å
842T37.6Very low49.1Very low116 Ų116117.3 Ų117.371%0.71264%0.638SS**THydrogen-bonded Turntrans-109.87-174.557.10000115.1D840D840-T842 PolarHBondContact O-N 3.49Å
843M32.1Very low46.2Very low170 Ų170125.6 Ų125.684%0.83768%0.676SS**  trans-107.874.6165.3-66.6-141.9-95.600111V845M843-V845 VanDerWaalsContact C-N 3.31Å; M843-V845 PolarHBondContact O-N 2.98Å
844V31.3Very low43.4Very low122 Ų122132.2 Ų132.274%0.73971%0.711SS**  trans-62.497.2157.1179.10000106.6D846V844-D846 PolarHBondContact O-N 2.87Å
845V36.8Very low40.7Very low109 Ų109141.1 Ų141.166%0.66175%0.752SS**  trans-74.9114.8161.4178.50000105.8M843 D847M843-V845 VanDerWaalsContact C-N 3.31Å; M843-V845 PolarHBondContact O-N 2.98Å; V845-D847 PolarHBondContact O-N 2.78Å
846D31.2Very low38.6Very low132 Ų132141 Ų14171%0.70677%0.766SS**  trans-59.580.1169.7-91.7-37.4000110.2V844 S848V844-D846 PolarHBondContact O-N 2.87Å; D846-S848 PolarHBondContact O-N 3.24Å
847D33.7Very low36.9Very low152 Ų152138 Ų13881%0.81377%0.769SS**  trans-86.260.1161.6-84.5-20.7000108.9V845V845-D847 PolarHBondContact O-N 2.78Å
848S29.7Very low35.5Very low99 Ų99141.1 Ų141.169%0.69278%0.781SS**  trans-102.256169.857.80000110.7D846D846-S848 PolarHBondContact O-N 3.24Å
849A33.6Very low34.8Very low81 Ų81139.6 Ų139.667%0.66978%0.779SS**SBendtrans-158.971.4168.800000111.2
850N32.8Very low34.1Very low171 Ų171137.1 Ų137.191%0.91478%0.775SS**  trans177.764147.1-88.1-25.5000110.8
851E30.3Very low33.9Very low200 Ų200138.1 Ų138.194%0.93578%0.78SS**  trans-106.7106.1156-81.6-165.7157.600108.7
852S34.7Very low33.5Very low98 Ų98136.5 Ų136.569%0.68578%0.778SS**  trans-143.7121.6152.367.20000109.9
853H33.3Very low33.3Very low174 Ų174137.4 Ų137.481%0.80678%0.783SS**  trans71.197.6161.6-61.2-67000118.8
854L35.4Very low33.4Very low176 Ų176132.9 Ų132.992%0.92178%0.779SS**  -177.1103.799.9-91151.7000111
855Q30.8Very low33.5Very low193 Ų193134.3 Ų134.390%0.90279%0.788SS**  trans-73.1144.1160.5-78.9176.1-24.500109.9
856A35.5Very low33.3Very low83 Ų83132.3 Ų132.369%0.68679%0.789SS**  177.3117.1113.900000114
857T34.2Very low33.4Very low124 Ų124133 Ų13376%0.76179%0.793SS**  78.1101.1128.861.30000122.4
858N33.3Very low33.2Very low135 Ų135132 Ų13272%0.72279%0.793SS**  72.9125.7105.1-85.82000123.8
859N35.7Very low33.3Very low146 Ų146130.4 Ų130.478%0.78179%0.792SS**  92.6113.2129.1-68.3-9.2000120.9
860G32.7Very low33Very low66 Ų66133.8 Ų133.868%0.6880%0.804SS**  122.1122.1100.500000119.1
861N36.2Very low32.8Very low161 Ų161132.2 Ų132.286%0.86180%0.8SS**  trans94.983.6142-61-8.4000121.5
862N32.6Very low32.8Very low159 Ų159126.7 Ų126.785%0.8579%0.789SS**  36.8133.1101.8-114.25.6000123
863V33.2Very low32.3Very low135 Ų135130.8 Ų130.882%0.81880%0.797SS**  trans94.6122.7147.2-162.20000120.2
864G35.2Very low32.1Very low74 Ų74128.8 Ų128.876%0.76380%0.797SS**  trans166.998.2154.800000115.7
865V32.4Very low31.8Very low152 Ų152125.3 Ų125.392%0.92179%0.788SS**  trans-73.8151.6-178.8172.30000113.1
866G33.3Very low31.6Very low67 Ų67127 Ų12769%0.69179%0.786SS**  trans158.993.1154.800000118.9
867D33.3Very low31.4Very low146 Ų146129.1 Ų129.178%0.78179%0.79SS**  trans68.2113.1136.1-77.8-10.1000125.8
868T29.6Very low31.1Very low132 Ų132131.2 Ų131.281%0.8180%0.795SS**  66.6119.7126.264.70000121.6
869G30.4Very low30.9Very low65 Ų65127.5 Ų127.567%0.6779%0.788SS**  trans171.276.2162.600000116
870V27.9Very low30.4Very low152 Ų152130.4 Ų130.492%0.92179%0.794SS**  trans45.9100.2146.9-167.60000117.9
871V29.1Very low30.4Very low138 Ų138136 Ų13684%0.83681%0.814SS**  trans-123127.6164.3177.80000110
872A30Very low30.1Very low85 Ų85134.7 Ų134.770%0.70281%0.812SS**  trans-60.9130.9176.500000112.1T874A872-T874 PolarHBondContact O-N 3.38Å
873E24.5Very low30Very low183 Ų183133.4 Ų133.486%0.85581%0.81SS**  trans-60.9110.9172.3-71.6176.9142.400110.9
874T28.8Very low29.8Very low132 Ų132133.3 Ų133.381%0.8181%0.809SS**  trans-123.595.115238.50000107.3A872 R876A872-T874 PolarHBondContact O-N 3.38Å; T874-R876 PolarHBondContact O-N 2.94Å
875S28.8Very low29.5Very low103 Ų103136.8 Ų136.872%0.7281%0.812SS**  trans-68.595.9-177.3-21.60000109.8V877S875-V877 PolarHBondContact O-N 3.13Å
876R26.9Very low29.3Very low230 Ų230135.9 Ų135.987%0.86881%0.805SS**  trans-66.1112.8149.4-82.5179.8171174.7-2.5107.3T874T874-R876 PolarHBondContact O-N 2.94Å
877V31.2Very low29.1Very low126 Ų126140.5 Ų140.576%0.76481%0.813SS**  trans-112.491.7161.3-176.80000107.1S875S875-V877 PolarHBondContact O-N 3.13Å
878I26.9Very low28.8Very low168 Ų168140.1 Ų140.186%0.86282%0.815SS**  trans-105.3122.1150.5-65.2172.7000103.7
879G30Very low28.7Very low57 Ų57140.7 Ų140.759%0.58882%0.816SS**  trans169.293.8176.500000113.3
880K25.9Very low28.6Very low208 Ų208147 Ų14790%0.90483%0.828SS**  trans55.294.6152.6-62.8-176.5173.5-173.40116.7
881V32.8Very low28.6Very low182 Ų182146.5 Ų146.5100%1.10382%0.819SS**  -172.40100.7169.70000107.4

Retrieved 881 of 881 residues in 664.8 ms (Link to these results)

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