X2JFR6_DROME Loading...

Eukaryotic translation initiation factor 2 subunit 1

AlphaFold DB (P41374), UniProt , Accession X2JFR6, Species DROME (Drosophila melanogaster, Fruit fly), Gene eIF2alpha, Length 341 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
1M43Very low67.2Low226 Ų22665.5 Ų65.5100%1.11333%0.329SS*.  0138.50-77.2170.2177.900107.1L3M1-L3 PolarHBondContact O-N 3.24Å
2A55.6Low68.4Low66 Ų6666.1 Ų66.155%0.54533%0.326SS..  trans-62.8122.5172.900000107.9T4A2-T4 HydrophobicContact CB-CG2 4.43Å; A2-T4 PolarHBondContact O-N 3.18Å
3L60.5Low69.6Low19 Ų1961.2 Ų61.210%0.09930%0.302CS..  trans-62.2109.6172.4-69.7155.4000107.4M1 F120 L126M1-L3 PolarHBondContact O-N 3.24Å; L3-F120 VanDerWaalsContact CD1-O 3.3Å; L3-F120 WeakPolarHBondContact CD1-O 3.31Å; L3-F120 WeakPolarHBondContact CD2-O 3.28Å; L3-L126 HydrophobicContact CB-CD2 3.86Å; L3-L126 HydrophobicContact CD2-CD2 4.48Å
4T65.1Low70.7Confident63 Ų6365.3 Ų65.339%0.38732%0.32SS..  trans-121120.1176.356.70000108A2 N39A2-T4 HydrophobicContact CB-CG2 4.43Å; A2-T4 PolarHBondContact O-N 3.18Å; T4-N39 PolarHBondContact O-OD1 3.45Å
5S65.4Low71.9Confident2 Ų268.4 Ų68.41%0.01434%0.337CS..  trans-120.9149.1171-65.20000109.9N39 L126 Y130S5-N39 WeakPolarHBondContact CA-OD1 3.47Å; S5-N39 PolarHBondContact N-OD1 3.04Å; S5-N39 PolarHBondContact O-OD1 3.41Å; S5-L126 WeakPolarHBondContact OG-CD2 3.3Å; S5-L126 VanDerWaalsContact OG-CG 3.24Å; S5-L126 WeakPolarHBondContact OG-CG 3.37Å; S5-Y130 VanDerWaalsContact CB-CE2 3.49Å
6R74.3Confident72.7Confident20 Ų2073.8 Ų73.88%0.07536%0.361CS..  trans-64145.2173.455.9-171.6167.8141.310.4108.9Y8 N9 N39 W135R6-Y8 WeakPolarHBondContact CD-O 3.32Å; R6-Y8 WeakPolarHBondContact CG-O 3.46Å; R6-N9 PolarHBondContact NH1-O 2.86Å; R6-N39 HydrophobicContact CB-CB 4.22Å; R6-N39 PolarHBondContact N-ND2 3.38Å; R6-N39 PolarHBondContact N-OD1 3.08Å; R6-W135 HydrophobicContact CG-CH2 4Å; R6-W135 HydrophobicContact CG-CZ2 3.64Å
7F72.3Confident73.6Confident19 Ų1970.8 Ų70.88%0.08335%0.347CS..SBendtrans-75.7-41.4-176.4-70.1-127.2000109.4L36 E37 A104 K105 N108 W135F7-L36 WeakPolarHBondContact CE2-O 3.12Å; F7-E37 WeakPolarHBondContact CB-O 3.48Å; F7-E37 VanDerWaalsContact CD2-O 3.26Å; F7-E37 WeakPolarHBondContact CD2-O 3.3Å; F7-E37 PolarHBondContact N-O 3.15Å; F7-A104 HydrophobicContact CD1-CB 3.64Å; F7-A104 WeakPolarHBondContact CD1-O 3.46Å; F7-A104 HydrophobicContact CE1-CB 4.25Å; F7-K105 HydrophobicContact CE1-CB 4.21Å; F7-N108 HydrophobicContact CD1-CB 4.04Å; F7-N108 HydrophobicContact CE1-CB 3.79Å; F7-N108 HydrophobicContact CE2-CB 4.44Å; F7-N108 WeakPolarHBondContact CE2-ND2 3.3Å; F7-N108 HydrophobicContact CZ-CB 4Å; F7-N108 WeakPolarHBondContact CZ-ND2 3.24Å; F7-W135 PolarHBondContact O-NE1 3.16Å
8Y75.5Confident74.5Confident3 Ų368.1 Ų68.11%0.01234%0.335CS..SBendtrans-102.5155.1-178-51.3-62000112.2R6 E10 E37 Y38 R100 E138 K144R6-Y8 WeakPolarHBondContact CD-O 3.32Å; R6-Y8 WeakPolarHBondContact CG-O 3.46Å; Y8-E10 PolarHBondContact O-N 3.35Å; Y8-E37 HydrophobicContact CD2-CB 4.25Å; Y8-E37 HydrophobicContact CE2-CB 3.76Å; Y8-E37 HydrophobicContact CE2-CG 4.14Å; Y8-E37 WeakPolarHBondContact CE2-OE1 3.49Å; Y8-E37 PolarHBondContact OH-OE1 2.99Å; Y8-Y38 AromaticContact CD2-CE1 3.96Å; Y8-Y38 HydrophobicContact CD2-CE1 3.96Å; Y8-Y38 HydrophobicContact CD2-CE2 4.12Å; Y8-Y38 AromaticContact CD2-CZ 3.67Å; Y8-Y38 HydrophobicContact CE2-CE2 4.35Å; Y8-R100 VanDerWaalsContact CZ-NH2 3.3Å; Y8-R100 PolarHBondContact OH-NE 3.08Å; Y8-R100 PolarHBondContact OH-NH2 3.1Å; Y8-E138 WeakPolarHBondContact CD1-OE1 3.46Å; Y8-K144 HydrophobicContact CD1-CB 4.38Å; Y8-K144 HydrophobicContact CD1-CG 3.92Å; Y8-K144 HydrophobicContact CE1-CB 3.84Å; Y8-K144 HydrophobicContact CE1-CG 3.83Å
9N74.5Confident75.3Confident54 Ų5464.5 Ų64.529%0.28932%0.317SS..SBendtrans-64.3-24.7174.8-176.634.7000112.8R6 W135 K139R6-N9 PolarHBondContact NH1-O 2.86Å; N9-W135 HydrophobicContact CB-CB 3.97Å; N9-W135 HydrophobicContact CB-CD2 3.64Å; N9-W135 HydrophobicContact CB-CE3 3.89Å; N9-W135 HydrophobicContact CB-CG 3.62Å; N9-W135 VanDerWaalsContact OD1-CE3 3.3Å; N9-K139 WeakPolarHBondContact ND2-CE 3.32Å
10E76.8Confident76Confident78 Ų7861.9 Ų61.936%0.36431%0.305SS..  trans-74.8133176.5-71.9164.1-167.700110.4Y8 Y12 Y38 K144Y8-E10 PolarHBondContact O-N 3.35Å; E10-Y12 VanDerWaalsContact C-N 3.35Å; E10-Y38 HydrophobicContact CB-CE1 4.48Å; E10-Y38 WeakPolarHBondContact O-CD1 3.4Å; E10-K144 IonicContact OE2-NZ 2.74Å
11R76.4Confident76.8Confident170 Ų17059 Ų5964%0.64229%0.29SS*.SBendtrans-72.9-31.4176.5-70.1-173.6177.1-177.5-1.3112.3I41R11-I41 WeakPolarHBondContact O-CD1 3.46Å
12Y81.9Confident79.1Confident73 Ų7350.2 Ų50.229%0.28625%0.248SC..SBendtrans-127.6144-176.9-61.7-79.9000109.2E10 I41 V75 K77 I82E10-Y12 VanDerWaalsContact C-N 3.35Å; Y12-I41 HydrophobicContact CD1-CD1 4.3Å; Y12-I41 HydrophobicContact CE1-CD1 4.24Å; Y12-V75 HydrophobicContact CD1-CG1 4.35Å; Y12-V75 HydrophobicContact CG-CG1 4.35Å; Y12-K77 HydrophobicContact CD2-CG 4.35Å; Y12-I82 HydrophobicContact CD1-CD1 4.4Å
13P84Confident80.8Confident3 Ų347.2 Ų47.22%0.01922%0.223CC..PPolyproline II helixtrans-65159.5173.329-35.5000111.6V19 L35 Y38 V72 V75 I82P13-V19 HydrophobicContact CB-CG1 4.29Å; P13-L35 HydrophobicContact CG-CD2 3.87Å; P13-Y38 WeakPolarHBondContact CA-OH 3.11Å; P13-Y38 HydrophobicContact CB-CD2 4.46Å; P13-Y38 HydrophobicContact CB-CE1 4.25Å; P13-Y38 HydrophobicContact CB-CE2 3.75Å; P13-Y38 HydrophobicContact CG-CE2 4.32Å; P13-V72 HydrophobicContact CB-CG2 3.89Å; P13-V72 HydrophobicContact CG-CG1 4.31Å; P13-V72 HydrophobicContact CG-CG2 3.76Å; P13-V75 HydrophobicContact CG-CG2 4.47Å; P13-I82 HydrophobicContact CG-CD1 4.13Å; P13-I82 HydrophobicContact CG-CG2 4.45Å
14E85Confident82.3Confident118 Ų11849.8 Ų49.855%0.55124%0.236SC*.PPolyproline II helixtrans-80.4161.2169.9-61.9-167.314000111.3D17E14-D17 PolarHBondContact O-N 3.19Å
15I88.1Confident83.5Confident112 Ų11249.3 Ų49.357%0.57424%0.236SC*.THydrogen-bonded Turntrans-66.2139.1174.8-59.7163.6000107.9D17 I73I15-D17 VanDerWaalsContact C-N 3.26Å; I15-D17 PolarHBondContact O-N 3.39Å; I15-I73 VanDerWaalsContact CG2-O 3.31Å; I15-I73 WeakPolarHBondContact CG2-O 3.47Å
16E85.6Confident84.6Confident154 Ų15451.8 Ų51.872%0.7225%0.248SC*.THydrogen-bonded Turntrans703.6-175.2-62.3177.5169.200116.3V72E16-V72 WeakPolarHBondContact CA-O 3.44Å; E16-V72 PolarHBondContact N-O 3.45Å
17D87.8Confident85.3Confident23 Ų2352.6 Ų52.612%0.12326%0.259CS..  trans-71143.3171.6-158.85.4000110.6E14 I15 V72 R100 K144E14-D17 PolarHBondContact O-N 3.19Å; I15-D17 VanDerWaalsContact C-N 3.26Å; I15-D17 PolarHBondContact O-N 3.39Å; D17-V72 PolarHBondContact O-N 3.05Å; D17-R100 IonicContact OD1-CZ 3.84Å; D17-R100 IonicContact OD1-NH1 3.71Å; D17-R100 PolarHBondContact OD1-NH1 2.86Å; D17-R100 IonicContact OD1-NH2 3.13Å; D17-R100 IonicContact OD2-CZ 2.55Å; D17-R100 IonicContact OD2-NH1 2.69Å; D17-R100 IonicContact OD2-NH2 2.65Å; D17-R100 PolarHBondContact OD2-NH2 2.88Å; D17-K144 IonicContact OD2-NZ 4Å; D17-K144 PolarHBondContact OD2-NZ 2.77Å
18V88.6Confident85.9Confident22 Ų2260.7 Ų60.713%0.13330%0.297CS..EExtended strand (participates in β ladder)trans-99.6117.2178.4-168.90000108.4V70 V71 V89 D93 C97V18-V70 WeakPolarHBondContact CA-O 3.49Å; V18-V71 HydrophobicContact CG2-CG2 4.01Å; V18-V89 HydrophobicContact CG1-CG1 4.46Å; V18-D93 HydrophobicContact CG2-CB 4.28Å; V18-C97 HydrophobicContact CB-CB 4.29Å; V18-C97 HydrophobicContact CG1-CB 3.76Å; V18-C97 PolarHBondContact O-SG 2.89Å
19V89.7Confident86.3Confident0 Ų068 Ų680%033%0.334CS..EExtended strand (participates in β ladder)trans-125.6148.8-171.4-61.60000111.1P13 V21 L35 Y38 V70 V72 L84P13-V19 HydrophobicContact CB-CG1 4.29Å; V19-V21 HydrophobicContact CG2-CG1 4.12Å; V19-L35 HydrophobicContact CG2-CD2 4.01Å; V19-L35 HydrophobicContact CG2-CG 4.36Å; V19-Y38 HydrophobicContact CG1-CE2 3.84Å; V19-V70 HydrophobicContact CG2-CG2 4.12Å; V19-V70 PolarHBondContact N-O 3.33Å; V19-V70 PolarHBondContact O-N 3.44Å; V19-V72 HydrophobicContact CG1-CG2 4.36Å; V19-V72 HydrophobicContact CG2-CG2 3.93Å; V19-L84 HydrophobicContact CG2-CD2 4.26Å
20M90Very high86.9Confident13 Ų1365.5 Ų65.56%0.06432%0.32CS..EExtended strand (participates in β ladder)trans-86.4125.5174.3-73.3-65.4-81.200110.7L36 P69 T98 F101M20-L36 PolarHBondContact O-N 3.35Å; M20-P69 HydrophobicContact SD-CB 3.74Å; M20-P69 HydrophobicContact SD-CG 4.45Å; M20-T98 HydrophobicContact CE-CG2 4.3Å; M20-T98 HydrophobicContact SD-CG2 4.32Å; M20-F101 HydrophobicContact CB-CB 4.32Å; M20-F101 HydrophobicContact CB-CD1 4.24Å; M20-F101 HydrophobicContact CB-CD2 3.75Å; M20-F101 HydrophobicContact CB-CE2 4.09Å; M20-F101 HydrophobicContact CB-CG 3.83Å; M20-F101 HydrophobicContact CB-CZ 4.47Å; M20-F101 HydrophobicContact CG-CB 3.66Å; M20-F101 HydrophobicContact CG-CD1 4Å; M20-F101 HydrophobicContact CG-CD2 4.05Å; M20-F101 HydrophobicContact CG-CG 3.62Å
21V91.8Very high87.5Confident0 Ų062 Ų620%030%0.304CS..EExtended strand (participates in β ladder)trans-120.9149.1-179.7-58.10000111.9V19 V33 H34 L35 T67 E68 V70 L84V19-V21 HydrophobicContact CG2-CG1 4.12Å; V21-V33 HydrophobicContact CB-CB 3.95Å; V21-V33 HydrophobicContact CB-CG2 3.81Å; V21-V33 HydrophobicContact CG1-CG2 4.04Å; V21-V33 HydrophobicContact CG2-CB 3.98Å; V21-V33 HydrophobicContact CG2-CG1 4.22Å; V21-V33 HydrophobicContact CG2-CG2 3.91Å; V21-H34 CarbonylContact C-O 3.6Å; V21-H34 VanDerWaalsContact CA-O 3.28Å; V21-H34 WeakPolarHBondContact CA-O 3.12Å; V21-L35 HydrophobicContact CG1-CD1 4.32Å; V21-L35 HydrophobicContact CG1-CG 3.89Å; V21-T67 CarbonylContact O-C 3.56Å; V21-T67 WeakPolarHBondContact O-CA 3.46Å; V21-E68 VanDerWaalsContact CG2-O 3.32Å; V21-E68 WeakPolarHBondContact CG2-O 3.32Å; V21-E68 PolarHBondContact N-O 3.32Å; V21-E68 PolarHBondContact O-N 3.13Å; V21-V70 HydrophobicContact CB-CG2 4.12Å; V21-V70 HydrophobicContact CG1-CG2 3.43Å; V21-V70 VanDerWaalsContact CG1-CG2 3.43Å; V21-V70 HydrophobicContact CG2-CB 4.42Å; V21-V70 HydrophobicContact CG2-CG1 3.96Å; V21-V70 HydrophobicContact CG2-CG2 3.54Å; V21-L84 HydrophobicContact CG1-CD1 4.02Å
22N92.8Very high88.3Confident43 Ų4358.5 Ų58.523%0.2329%0.292CS..EExtended strand (participates in β ladder)trans-105.3129.1170.4-173.25.7000109.8L24 V33 H34 L36 G65 K66 T67N22-L24 PolarHBondContact O-N 3.45Å; N22-V33 CarbonylContact O-C 3.55Å; N22-V33 VanDerWaalsContact O-CA 3.24Å; N22-V33 WeakPolarHBondContact O-CA 3.28Å; N22-V33 WeakPolarHBondContact O-CB 3.48Å; N22-H34 PolarHBondContact N-O 2.68Å; N22-H34 PolarHBondContact O-N 3.29Å; N22-L36 HydrophobicContact CB-CD1 4.31Å; N22-L36 HydrophobicContact CB-CD2 4.13Å; N22-L36 HydrophobicContact CB-CG 4.2Å; N22-G65 WeakPolarHBondContact OD1-CA 3.35Å; N22-G65 PolarHBondContact OD1-O 2.99Å; N22-K66 PolarHBondContact OD1-O 3.39Å; N22-T67 HydrophobicContact CB-CG2 4.39Å
23V91.8Very high88.8Confident3 Ų355 Ų552%0.01828%0.278CS..EExtended strand (participates in β ladder)trans-79.5121.1-178.1178.10000110.2I26 V33 I62 G65 K66V23-I26 HydrophobicContact CG1-CG1 4.46Å; V23-V33 HydrophobicContact CB-CG1 4.32Å; V23-V33 HydrophobicContact CG2-CG1 3.86Å; V23-I62 HydrophobicContact CB-CG2 3.97Å; V23-I62 HydrophobicContact CG1-CG2 3.41Å; V23-I62 VanDerWaalsContact CG1-CG2 3.41Å; V23-I62 HydrophobicContact CG2-CG2 3.61Å; V23-G65 PolarHBondContact O-N 3.1Å; V23-K66 PolarHBondContact N-O 3.49Å
24L91Very high89.2Confident72 Ų7256.8 Ų56.838%0.37729%0.286SS..EExtended strand (participates in β ladder)trans-89.5-54.5176.6-74.4179.4000112.9N22 Y32 H34 V64N22-L24 PolarHBondContact O-N 3.45Å; L24-Y32 PolarHBondContact N-O 3.18Å; L24-H34 WeakPolarHBondContact CD1-CD2 3.34Å; L24-H34 WeakPolarHBondContact CD1-CE1 3.18Å; L24-H34 WeakPolarHBondContact CD1-NE2 3.24Å; L24-V64 WeakPolarHBondContact O-CG1 3.42Å
25S90.1Very high89.4Confident54 Ų5451.2 Ų51.238%0.37826%0.26SS..EExtended strand (participates in β ladder)trans-150.4150.1-172.169.40000110.3Y32S25-Y32 PolarHBondContact N-O 3.37Å; S25-Y32 PolarHBondContact O-N 3.47Å
26I88.4Confident89.2Confident54 Ų5447.8 Ų47.828%0.27724%0.243SC..EExtended strand (participates in β ladder)trans-110.3120.3177.9-56.3169.9000106.2V23 I58 I62 V64V23-I26 HydrophobicContact CG1-CG1 4.46Å; I26-I58 HydrophobicContact CD1-CG2 4.39Å; I26-I58 HydrophobicContact CG2-CG2 3.83Å; I26-I62 HydrophobicContact CD1-CG2 4.07Å; I26-I62 HydrophobicContact CG1-CG2 4.3Å; I26-V64 HydrophobicContact CD1-CG2 4.12Å; I26-V64 HydrophobicContact CG1-CG2 4.15Å
27A88.4Confident89Confident36 Ų3640.5 Ų40.530%0.29821%0.209SC..  trans-108.6169.3176.300000110.8M29 G30 Y32A27-M29 PolarHBondContact O-N 2.67Å; A27-G30 CarbonylContact C-O 3.47Å; A27-G30 WeakPolarHBondContact CA-O 3.46Å; A27-G30 WeakPolarHBondContact CB-O 3.11Å; A27-G30 PolarHBondContact N-O 2.97Å; A27-G30 PolarHBondContact O-N 3.34Å; A27-Y32 HydrophobicContact CB-CD2 4.1Å; A27-Y32 HydrophobicContact CB-CE2 3.7Å
28E85Confident88.7Confident189 Ų18939.4 Ų39.488%0.88320%0.203SC*.SBendtrans-64.3-28-179.7-65.8-174.7169.200113.3L47E28-L47 WeakPolarHBondContact O-CD1 3.48Å
29M85.2Confident88.4Confident158 Ų15841 Ų4178%0.77821%0.211SC*.SBendtrans-90.8-20.3-179.7-62.4-172.3-179.700113.3A27 M44A27-M29 PolarHBondContact O-N 2.67Å; M29-M44 HydrophobicContact CB-CE 3.74Å
30G87Confident88.1Confident0 Ų044 Ų440%023%0.226CC..EExtended strand (participates in β ladder)trans171.4-179.5-170.700000113A27 I45A27-G30 CarbonylContact C-O 3.47Å; A27-G30 WeakPolarHBondContact CA-O 3.46Å; A27-G30 WeakPolarHBondContact CB-O 3.11Å; A27-G30 PolarHBondContact N-O 2.97Å; A27-G30 PolarHBondContact O-N 3.34Å; G30-I45 CarbonylContact C-O 3.53Å; G30-I45 WeakPolarHBondContact CA-O 3.32Å
31A89.6Confident87.9Confident5 Ų545.3 Ų45.34%0.04123%0.234CC..EExtended strand (participates in β ladder)trans-104.4128.7173.800000110.3M44 I45 I62A31-M44 WeakPolarHBondContact O-CA 3.3Å; A31-I45 HydrophobicContact CB-CB 4.42Å; A31-I45 PolarHBondContact N-O 3.21Å; A31-I45 PolarHBondContact O-N 3.46Å; A31-I62 HydrophobicContact CB-CD1 4.1Å
32Y91.9Very high87.9Confident96 Ų9651.2 Ų51.238%0.37626%0.261SS..EExtended strand (participates in β ladder)trans-84.8130.7171.4-67.6-78.9000109.4L24 S25 A27L24-Y32 PolarHBondContact N-O 3.18Å; S25-Y32 PolarHBondContact N-O 3.37Å; S25-Y32 PolarHBondContact O-N 3.47Å; A27-Y32 HydrophobicContact CB-CD2 4.1Å; A27-Y32 HydrophobicContact CB-CE2 3.7Å
33V92.6Very high87.8Confident0 Ų049.3 Ų49.30%025%0.252CS..EExtended strand (participates in β ladder)trans-134.6152.6-175.6-53.30000110.5V21 N22 V23 E42 G43 I45 L84V21-V33 HydrophobicContact CB-CB 3.95Å; V21-V33 HydrophobicContact CB-CG2 3.81Å; V21-V33 HydrophobicContact CG1-CG2 4.04Å; V21-V33 HydrophobicContact CG2-CB 3.98Å; V21-V33 HydrophobicContact CG2-CG1 4.22Å; V21-V33 HydrophobicContact CG2-CG2 3.91Å; N22-V33 CarbonylContact O-C 3.55Å; N22-V33 VanDerWaalsContact O-CA 3.24Å; N22-V33 WeakPolarHBondContact O-CA 3.28Å; N22-V33 WeakPolarHBondContact O-CB 3.48Å; V23-V33 HydrophobicContact CB-CG1 4.32Å; V23-V33 HydrophobicContact CG2-CG1 3.86Å; V33-E42 CarbonylContact O-C 3.58Å; V33-E42 WeakPolarHBondContact O-CA 3.5Å; V33-G43 PolarHBondContact N-O 3.3Å; V33-G43 PolarHBondContact O-N 2.91Å; V33-I45 HydrophobicContact CG1-CD1 3.58Å; V33-I45 HydrophobicContact CG1-CG1 4.17Å; V33-I45 HydrophobicContact CG2-CD1 4.33Å; V33-I45 HydrophobicContact CG2-CG1 4.33Å; V33-L84 HydrophobicContact CG2-CD1 3.22Å
34H91.9Very high87.8Confident41 Ų4151.2 Ų51.219%0.1926%0.261CS..EExtended strand (participates in β ladder)trans-101.7129.1171.3-79.7177.9000110.3V21 N22 L24 L36 N40 I41 E42V21-H34 CarbonylContact C-O 3.6Å; V21-H34 VanDerWaalsContact CA-O 3.28Å; V21-H34 WeakPolarHBondContact CA-O 3.12Å; N22-H34 PolarHBondContact N-O 2.68Å; N22-H34 PolarHBondContact O-N 3.29Å; L24-H34 WeakPolarHBondContact CD1-CD2 3.34Å; L24-H34 WeakPolarHBondContact CD1-CE1 3.18Å; L24-H34 WeakPolarHBondContact CD1-NE2 3.24Å; H34-L36 PolarHBondContact O-N 2.98Å; H34-N40 HydrophobicContact CB-CB 4.15Å; H34-N40 PolarHBondContact CD2-O 2.65Å; H34-I41 WeakPolarHBondContact CA-O 3.28Å; H34-E42 IonicContact NE2-OE1 2.66Å
35L89.3Confident87.8Confident0 Ų048 Ų480%024%0.244CC..EExtended strand (participates in β ladder)trans-77.3108.4170.6-7277.6000109.2P13 V19 V21 E37 Y38 N40 I41 I82 L84P13-L35 HydrophobicContact CG-CD2 3.87Å; V19-L35 HydrophobicContact CG2-CD2 4.01Å; V19-L35 HydrophobicContact CG2-CG 4.36Å; V21-L35 HydrophobicContact CG1-CD1 4.32Å; V21-L35 HydrophobicContact CG1-CG 3.89Å; L35-E37 PolarHBondContact O-N 2.92Å; L35-Y38 HydrophobicContact CB-CD2 4.3Å; L35-Y38 HydrophobicContact CD2-CD2 3.92Å; L35-Y38 PolarHBondContact O-N 3.16Å; L35-N40 VanDerWaalsContact O-CA 3.23Å; L35-N40 WeakPolarHBondContact O-CA 3.13Å; L35-N40 PolarHBondContact O-N 2.84Å; L35-I41 VanDerWaalsContact CD1-O 3.32Å; L35-I41 WeakPolarHBondContact CD1-O 3.14Å; L35-I41 PolarHBondContact N-O 3.1Å; L35-I82 HydrophobicContact CD1-CD1 4.15Å; L35-I82 HydrophobicContact CD2-CD1 3.94Å; L35-L84 HydrophobicContact CD1-CD1 4.07Å
36L84.4Confident87.7Confident40 Ų4048.8 Ų48.821%0.20924%0.244CC..G310 helixtrans-63.9-32.6-176.5-68.9173.2000112.1F7 M20 N22 H34 T67 F101F7-L36 WeakPolarHBondContact CE2-O 3.12Å; M20-L36 PolarHBondContact O-N 3.35Å; N22-L36 HydrophobicContact CB-CD1 4.31Å; N22-L36 HydrophobicContact CB-CD2 4.13Å; N22-L36 HydrophobicContact CB-CG 4.2Å; H34-L36 PolarHBondContact O-N 2.98Å; L36-T67 HydrophobicContact CD1-CG2 3.72Å; L36-F101 HydrophobicContact CB-CE2 3.8Å; L36-F101 HydrophobicContact CB-CZ 4Å; L36-F101 HydrophobicContact CD1-CE1 4.46Å; L36-F101 HydrophobicContact CD1-CE2 4.26Å; L36-F101 HydrophobicContact CD1-CZ 3.67Å
37E81.5Confident87.5Confident1 Ų148.7 Ų48.71%0.00524%0.243CC..G310 helixtrans-75.2-25.8-176.9-62.5-177.2116.500113.5F7 Y8 L35 F101F7-E37 WeakPolarHBondContact CB-O 3.48Å; F7-E37 VanDerWaalsContact CD2-O 3.26Å; F7-E37 WeakPolarHBondContact CD2-O 3.3Å; F7-E37 PolarHBondContact N-O 3.15Å; Y8-E37 HydrophobicContact CD2-CB 4.25Å; Y8-E37 HydrophobicContact CE2-CB 3.76Å; Y8-E37 HydrophobicContact CE2-CG 4.14Å; Y8-E37 WeakPolarHBondContact CE2-OE1 3.49Å; Y8-E37 PolarHBondContact OH-OE1 2.99Å; L35-E37 PolarHBondContact O-N 2.92Å; E37-F101 HydrophobicContact CG-CD2 3.64Å; E37-F101 HydrophobicContact CG-CE2 3.92Å
38Y82.2Confident87.4Confident1 Ų151.2 Ų51.20%0.00426%0.259CS..G310 helixtrans-114.550.6-172.6-62.6-91.9000111Y8 E10 P13 V19 L35 N40 I41Y8-Y38 AromaticContact CD2-CE1 3.96Å; Y8-Y38 HydrophobicContact CD2-CE1 3.96Å; Y8-Y38 HydrophobicContact CD2-CE2 4.12Å; Y8-Y38 AromaticContact CD2-CZ 3.67Å; Y8-Y38 HydrophobicContact CE2-CE2 4.35Å; E10-Y38 HydrophobicContact CB-CE1 4.48Å; E10-Y38 WeakPolarHBondContact O-CD1 3.4Å; P13-Y38 WeakPolarHBondContact CA-OH 3.11Å; P13-Y38 HydrophobicContact CB-CD2 4.46Å; P13-Y38 HydrophobicContact CB-CE1 4.25Å; P13-Y38 HydrophobicContact CB-CE2 3.75Å; P13-Y38 HydrophobicContact CG-CE2 4.32Å; V19-Y38 HydrophobicContact CG1-CE2 3.84Å; L35-Y38 HydrophobicContact CB-CD2 4.3Å; L35-Y38 HydrophobicContact CD2-CD2 3.92Å; L35-Y38 PolarHBondContact O-N 3.16Å; Y38-N40 VanDerWaalsContact C-N 3.29Å; Y38-N40 PolarHBondContact O-N 2.94Å; Y38-I41 VanDerWaalsContact O-CD1 3.28Å; Y38-I41 WeakPolarHBondContact O-CD1 3.32Å; Y38-I41 WeakPolarHBondContact O-CG1 3.47Å; Y38-I41 PolarHBondContact O-N 3.35Å
39N81.8Confident87.4Confident55 Ų5543.4 Ų43.429%0.29422%0.222SC..THydrogen-bonded Turntrans61.729175.2-100.6-9.1000115.4T4 S5 R6 I41T4-N39 PolarHBondContact O-OD1 3.45Å; S5-N39 WeakPolarHBondContact CA-OD1 3.47Å; S5-N39 PolarHBondContact N-OD1 3.04Å; S5-N39 PolarHBondContact O-OD1 3.41Å; R6-N39 HydrophobicContact CB-CB 4.22Å; R6-N39 PolarHBondContact N-ND2 3.38Å; R6-N39 PolarHBondContact N-OD1 3.08Å; N39-I41 VanDerWaalsContact C-N 3.29Å; N39-I41 PolarHBondContact O-N 2.83Å
40N82.8Confident87.3Confident62 Ų6236.2 Ų36.233%0.33219%0.187SC..THydrogen-bonded Turntrans6134.3-177.5-49.9-60.3000113.5H34 L35 Y38 E42H34-N40 HydrophobicContact CB-CB 4.15Å; H34-N40 PolarHBondContact CD2-O 2.65Å; L35-N40 VanDerWaalsContact O-CA 3.23Å; L35-N40 WeakPolarHBondContact O-CA 3.13Å; L35-N40 PolarHBondContact O-N 2.84Å; Y38-N40 VanDerWaalsContact C-N 3.29Å; Y38-N40 PolarHBondContact O-N 2.94Å; N40-E42 PolarHBondContact O-N 3.26Å
41I87.1Confident87Confident42 Ų4237.9 Ų37.922%0.21520%0.199CC..EExtended strand (participates in β ladder)trans-57.4139.1168.9-68.7164.1000109.1R11 Y12 H34 L35 Y38 N39 I82R11-I41 WeakPolarHBondContact O-CD1 3.46Å; Y12-I41 HydrophobicContact CD1-CD1 4.3Å; Y12-I41 HydrophobicContact CE1-CD1 4.24Å; H34-I41 WeakPolarHBondContact CA-O 3.28Å; L35-I41 VanDerWaalsContact CD1-O 3.32Å; L35-I41 WeakPolarHBondContact CD1-O 3.14Å; L35-I41 PolarHBondContact N-O 3.1Å; Y38-I41 VanDerWaalsContact O-CD1 3.28Å; Y38-I41 WeakPolarHBondContact O-CD1 3.32Å; Y38-I41 WeakPolarHBondContact O-CG1 3.47Å; Y38-I41 PolarHBondContact O-N 3.35Å; N39-I41 VanDerWaalsContact C-N 3.29Å; N39-I41 PolarHBondContact O-N 2.83Å; I41-I82 HydrophobicContact CG2-CD1 3.69Å
42E90.2Very high86.5Confident123 Ų12346.9 Ų46.958%0.57523%0.232SC*.EExtended strand (participates in β ladder)trans-73.1131.5177.2-67.7-179.5174.700110.8V33 H34 N40V33-E42 CarbonylContact O-C 3.58Å; V33-E42 WeakPolarHBondContact O-CA 3.5Å; H34-E42 IonicContact NE2-OE1 2.66Å; N40-E42 PolarHBondContact O-N 3.26Å
43G91.3Very high86Confident4 Ų452.5 Ų52.54%0.04125%0.253CS..EExtended strand (participates in β ladder)trans-125.5160169.900000110.7V33 I82V33-G43 PolarHBondContact N-O 3.3Å; V33-G43 PolarHBondContact O-N 2.91Å; G43-I82 WeakPolarHBondContact CA-O 3.48Å
44M91.3Very high85.3Confident43 Ų4364.2 Ų64.221%0.21230%0.297CS..EExtended strand (participates in β ladder)trans-121.4128.9178.2-173.2-179.917900110.2M29 A31 I82 L84M29-M44 HydrophobicContact CB-CE 3.74Å; A31-M44 WeakPolarHBondContact O-CA 3.3Å; M44-I82 PolarHBondContact N-O 2.97Å; M44-L84 PolarHBondContact O-N 3.39Å
45I91.2Very high84.5Confident4 Ų464.8 Ų64.82%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-99.2118169.7-57.3166.7000108G30 A31 V33 I62 V70 L84G30-I45 CarbonylContact C-O 3.53Å; G30-I45 WeakPolarHBondContact CA-O 3.32Å; A31-I45 HydrophobicContact CB-CB 4.42Å; A31-I45 PolarHBondContact N-O 3.21Å; A31-I45 PolarHBondContact O-N 3.46Å; V33-I45 HydrophobicContact CG1-CD1 3.58Å; V33-I45 HydrophobicContact CG1-CG1 4.17Å; V33-I45 HydrophobicContact CG2-CD1 4.33Å; V33-I45 HydrophobicContact CG2-CG1 4.33Å; I45-I62 HydrophobicContact CD1-CD1 4.35Å; I45-V70 HydrophobicContact CD1-CG1 3.87Å; I45-L84 HydrophobicContact CG1-CB 3.68Å; I45-L84 HydrophobicContact CG1-CD1 4.34Å
46L88.7Confident84.1Confident71 Ų7177 Ų7737%0.37235%0.346SS..EExtended strand (participates in β ladder)trans-68.5143173.7-84.668.4000110.4S48 E49 L50L46-S48 PolarHBondContact O-N 3.47Å; L46-E49 HydrophobicContact CB-CB 4.32Å; L46-E49 HydrophobicContact CB-CG 4.46Å; L46-E49 CarbonylContact O-C 3.44Å; L46-E49 WeakPolarHBondContact O-CA 3.29Å; L46-E49 PolarHBondContact O-N 3.49Å; L46-L50 PolarHBondContact O-N 3.1Å
47L84.5Confident83.8Confident51 Ų5177.7 Ų77.727%0.26736%0.355SS..G310 helixtrans-56.7-35.7177.3-72.8168.7000112.8E28 E49 L50 I58E28-L47 WeakPolarHBondContact O-CD1 3.48Å; L47-E49 PolarHBondContact O-N 2.99Å; L47-L50 WeakPolarHBondContact O-CB 3.19Å; L47-L50 PolarHBondContact O-N 2.85Å; L47-I58 HydrophobicContact CD2-CD1 3.69Å; L47-I58 HydrophobicContact CD2-CG1 4.14Å
48S85.2Confident83.7Confident89 Ų8980.2 Ų80.262%0.62237%0.368SS*.G310 helixtrans-67.8-20.1176.2-54.50000113.9L46L46-S48 PolarHBondContact O-N 3.47Å
49E85.7Confident83.5Confident25 Ų2585.4 Ų85.412%0.11740%0.396CS..G310 helixtrans-103.77.1179.5-72.7-68.8176.100112L46 L47 I73 S85 K86 R87 R88L46-E49 HydrophobicContact CB-CB 4.32Å; L46-E49 HydrophobicContact CB-CG 4.46Å; L46-E49 CarbonylContact O-C 3.44Å; L46-E49 WeakPolarHBondContact O-CA 3.29Å; L46-E49 PolarHBondContact O-N 3.49Å; L47-E49 PolarHBondContact O-N 2.99Å; E49-I73 HydrophobicContact CG-CD1 3.96Å; E49-S85 PolarHBondContact O-OG 3.34Å; E49-S85 WeakPolarHBondContact OE2-CB 3.29Å; E49-S85 PolarHBondContact OE2-OG 2.85Å; E49-K86 PolarHBondContact O-N 3.35Å; E49-R87 WeakPolarHBondContact O-CB 3.37Å; E49-R87 PolarHBondContact O-N 3.3Å; E49-R87 IonicContact OE1-CZ 3.98Å; E49-R87 IonicContact OE1-NH2 3.55Å; E49-R87 IonicContact OE2-CZ 3.32Å; E49-R87 IonicContact OE2-NE 2.89Å; E49-R87 PolarHBondContact OE2-NE 2.99Å; E49-R88 IonicContact OE1-NE 3.89Å; E49-R88 IonicContact OE1-NH2 2.82Å; E49-R88 PolarHBondContact OE1-NH2 2.86Å; E49-R88 IonicContact OE2-NE 3.94Å
50L83.7Confident83.5Confident7 Ų791.5 Ų91.54%0.03742%0.42CS..THydrogen-bonded Turntrans-81.7-38.9177.8-176.854.2000113.3L46 L47 I55 I58 L61 I62 K86L46-L50 PolarHBondContact O-N 3.1Å; L47-L50 WeakPolarHBondContact O-CB 3.19Å; L47-L50 PolarHBondContact O-N 2.85Å; L50-I55 HydrophobicContact CB-CD1 4.36Å; L50-I55 HydrophobicContact CD2-CD1 4.31Å; L50-I58 HydrophobicContact CD2-CG2 4.17Å; L50-L61 HydrophobicContact CD2-CB 4.29Å; L50-L61 HydrophobicContact CG-CB 4.48Å; L50-L61 HydrophobicContact CG-CD2 4.29Å; L50-I62 HydrophobicContact CD1-CD1 3.12Å; L50-I62 HydrophobicContact CD1-CG1 3.67Å; L50-I62 HydrophobicContact CD2-CD1 3.94Å; L50-I62 HydrophobicContact CD2-CG1 4.39Å; L50-I62 HydrophobicContact CG-CD1 4.16Å; L50-K86 HydrophobicContact CD1-CB 4.21Å; L50-K86 HydrophobicContact CD1-CD 3.87Å
51S80.9Confident83.2Confident36 Ų3691.1 Ų91.125%0.25242%0.417SS..  trans-150.3151.4-176.6-174.50000111.9R53S51-R53 PolarHBondContact OG-N 3.4Å; S51-R53 PolarHBondContact OG-O 3.37Å
52R78.6Confident83Confident193 Ų19389.2 Ų89.273%0.72841%0.407SS*.SBendtrans-75.7-25.3170.4-62.7-176.9-173.7-168.93.4112.1R87R52-R87 HydrophobicContact CB-CG 4.36Å; R52-R87 HydrophobicContact CG-CG 3.36Å; R52-R87 PolarHBondContact NE-O 2.88Å; R52-R87 PolarHBondContact NH2-O 3.32Å
53R80.5Confident82.7Confident215 Ų21591.7 Ų91.781%0.81141%0.412SS*.SBendtrans-101.1157.1-176.2-63.6-177.1-179176.61.4110.9S51 I55S51-R53 PolarHBondContact OG-N 3.4Å; S51-R53 PolarHBondContact OG-O 3.37Å; R53-I55 PolarHBondContact O-N 3.24Å
54R77.8Confident82.7Confident246 Ų24695.9 Ų95.993%0.92844%0.436SS*.PPolyproline II helixtrans-56.8122.8173.9-173.1175.1-176.1150.11.3110.1R56R54-R56 PolarHBondContact O-N 3.26Å
55I76.4Confident82.5Confident53 Ų5396.3 Ų96.327%0.27245%0.452SS..PPolyproline II helixtrans-75117.7-177.4-57.9165.1000108.6L50 R53 I58 L61L50-I55 HydrophobicContact CB-CD1 4.36Å; L50-I55 HydrophobicContact CD2-CD1 4.31Å; R53-I55 PolarHBondContact O-N 3.24Å; I55-I58 HydrophobicContact CG2-CG1 3.89Å; I55-L61 HydrophobicContact CG2-CD1 4.17Å
56R79.5Confident82.4Confident255 Ų255101.4 Ų101.496%0.96247%0.474SS*.SBendtrans-77.1-41.9170.5-71.2-172.7-174.6175.32.5111.6R54R54-R56 PolarHBondContact O-N 3.26Å
57S78.9Confident82.5Confident56 Ų56101 Ų10139%0.39247%0.474SS..  trans-151.1127177.6179.10000109.4N59 K60 L61S57-N59 VanDerWaalsContact C-N 3.29Å; S57-N59 PolarHBondContact O-N 3.25Å; S57-K60 PolarHBondContact O-N 2.79Å; S57-L61 WeakPolarHBondContact O-CD1 3.06Å
58I78.4Confident82.7Confident53 Ų5399.5 Ų99.527%0.27247%0.466SS..Hα-helixtrans-65.1-38.4-179-61.6161.6000110.1I26 L47 L50 I55 K60 L61 I62I26-I58 HydrophobicContact CD1-CG2 4.39Å; I26-I58 HydrophobicContact CG2-CG2 3.83Å; L47-I58 HydrophobicContact CD2-CD1 3.69Å; L47-I58 HydrophobicContact CD2-CG1 4.14Å; L50-I58 HydrophobicContact CD2-CG2 4.17Å; I55-I58 HydrophobicContact CG2-CG1 3.89Å; I58-K60 PolarHBondContact O-N 3.43Å; I58-L61 PolarHBondContact O-N 3.45Å; I58-I62 PolarHBondContact O-N 2.94Å
59N79.9Confident83Confident111 Ų11196 Ų9659%0.59444%0.441SS*.Hα-helixtrans-61.5-18.5-179.8-65.6-17.6000113.9S57 I62S57-N59 VanDerWaalsContact C-N 3.29Å; S57-N59 PolarHBondContact O-N 3.25Å; N59-I62 CarbonylContact C-O 3.5Å; N59-I62 WeakPolarHBondContact CA-O 3.28Å
60K80.1Confident83.3Confident183 Ų18394.8 Ų94.880%0.79644%0.435SS*.Hα-helixtrans-82.5-30.3175.5-167.7171.7-178175.90112.4S57 I58S57-K60 PolarHBondContact O-N 2.79Å; I58-K60 PolarHBondContact O-N 3.43Å
61L78.2Confident83.7Confident53 Ų5395.1 Ų95.128%0.27744%0.437SS..Hα-helixtrans-90.2-34.5-177.7-78.690.5000113.1L50 I55 S57 I58 K86L50-L61 HydrophobicContact CD2-CB 4.29Å; L50-L61 HydrophobicContact CG-CB 4.48Å; L50-L61 HydrophobicContact CG-CD2 4.29Å; I55-L61 HydrophobicContact CG2-CD1 4.17Å; S57-L61 WeakPolarHBondContact O-CD1 3.06Å; I58-L61 PolarHBondContact O-N 3.45Å; L61-K86 PolarHBondContact O-NZ 3.45Å
62I81.7Confident84.2Confident2 Ų293.4 Ų93.41%0.0143%0.425CS..  trans-128.9127.5177.2-77.2175.4000107.9V23 I26 A31 I45 L50 I58 N59V23-I62 HydrophobicContact CB-CG2 3.97Å; V23-I62 HydrophobicContact CG1-CG2 3.41Å; V23-I62 VanDerWaalsContact CG1-CG2 3.41Å; V23-I62 HydrophobicContact CG2-CG2 3.61Å; I26-I62 HydrophobicContact CD1-CG2 4.07Å; I26-I62 HydrophobicContact CG1-CG2 4.3Å; A31-I62 HydrophobicContact CB-CD1 4.1Å; I45-I62 HydrophobicContact CD1-CD1 4.35Å; L50-I62 HydrophobicContact CD1-CD1 3.12Å; L50-I62 HydrophobicContact CD1-CG1 3.67Å; L50-I62 HydrophobicContact CD2-CD1 3.94Å; L50-I62 HydrophobicContact CD2-CG1 4.39Å; L50-I62 HydrophobicContact CG-CD1 4.16Å; I58-I62 PolarHBondContact O-N 2.94Å; N59-I62 CarbonylContact C-O 3.5Å; N59-I62 WeakPolarHBondContact CA-O 3.28Å
63R84.8Confident84.8Confident176 Ų17686.7 Ų86.766%0.66440%0.403SS*.  trans-108.3135167.5-67.7-175.9179.2-179.30.5108.4G65 K66R63-G65 PolarHBondContact O-N 3.34Å; R63-K66 HydrophobicContact CB-CB 4.23Å; R63-K66 WeakPolarHBondContact O-CB 3.34Å; R63-K66 PolarHBondContact O-N 3.37Å; R63-K66 VanDerWaalsContact O-N 3.16Å
64V89.8Confident85.2Confident92 Ų9284.1 Ų84.156%0.55839%0.394SS*.THydrogen-bonded Turntrans-57.9134.1171.5175.30000109L24 I26 K66L24-V64 WeakPolarHBondContact O-CG1 3.42Å; I26-V64 HydrophobicContact CD1-CG2 4.12Å; I26-V64 HydrophobicContact CG1-CG2 4.15Å; V64-K66 VanDerWaalsContact C-N 3.32Å; V64-K66 PolarHBondContact O-N 2.87Å
65G87.9Confident85.8Confident52 Ų5273.6 Ų73.654%0.53636%0.357SS..THydrogen-bonded Turntrans83.6-4.7-177.600000115.5N22 V23 R63N22-G65 WeakPolarHBondContact OD1-CA 3.35Å; N22-G65 PolarHBondContact OD1-O 2.99Å; V23-G65 PolarHBondContact O-N 3.1Å; R63-G65 PolarHBondContact O-N 3.34Å
66K89.5Confident86.5Confident110 Ų11073.2 Ų73.248%0.47836%0.356SS..  trans-86141.2175.4-166.3178.8175.7-148.30110.5N22 V23 R63 V64 E68N22-K66 PolarHBondContact OD1-O 3.39Å; V23-K66 PolarHBondContact N-O 3.49Å; R63-K66 HydrophobicContact CB-CB 4.23Å; R63-K66 WeakPolarHBondContact O-CB 3.34Å; R63-K66 PolarHBondContact O-N 3.37Å; R63-K66 VanDerWaalsContact O-N 3.16Å; V64-K66 VanDerWaalsContact C-N 3.32Å; V64-K66 PolarHBondContact O-N 2.87Å; K66-E68 VanDerWaalsContact CD-OE1 3.25Å; K66-E68 WeakPolarHBondContact CD-OE1 3.39Å; K66-E68 WeakPolarHBondContact CE-OE1 3.44Å; K66-E68 IonicContact NZ-OE1 3.91Å; K66-E68 PolarHBondContact NZ-OE1 3.23Å
67T90.4Very high86.8Confident62 Ų6268.3 Ų68.338%0.3834%0.341SS..EExtended strand (participates in β ladder)trans-84.7130.4170.755.90000111V21 N22 L36V21-T67 CarbonylContact O-C 3.56Å; V21-T67 WeakPolarHBondContact O-CA 3.46Å; N22-T67 HydrophobicContact CB-CG2 4.39Å; L36-T67 HydrophobicContact CD1-CG2 3.72Å
68E89.6Confident87.2Confident20 Ų2074.4 Ų74.49%0.09336%0.364CS..EExtended strand (participates in β ladder)trans-133.7141.2-179.8-66.9-75.1165.200109.8V21 K66 K86V21-E68 VanDerWaalsContact CG2-O 3.32Å; V21-E68 WeakPolarHBondContact CG2-O 3.32Å; V21-E68 PolarHBondContact N-O 3.32Å; V21-E68 PolarHBondContact O-N 3.13Å; K66-E68 VanDerWaalsContact CD-OE1 3.25Å; K66-E68 WeakPolarHBondContact CD-OE1 3.39Å; K66-E68 WeakPolarHBondContact CE-OE1 3.44Å; K66-E68 IonicContact NZ-OE1 3.91Å; K66-E68 PolarHBondContact NZ-OE1 3.23Å; E68-K86 IonicContact OE1-NZ 3.45Å; E68-K86 VanDerWaalsContact OE2-CE 3.25Å; E68-K86 WeakPolarHBondContact OE2-CE 3.02Å; E68-K86 IonicContact OE2-NZ 2.83Å; E68-K86 PolarHBondContact OE2-NZ 2.86Å
69P91Very high87.5Confident16 Ų1678.8 Ų78.810%0.10438%0.381CS..EExtended strand (participates in β ladder)trans-76.5135.4171.531.5-34.5000110.2M20 V94M20-P69 HydrophobicContact SD-CB 3.74Å; M20-P69 HydrophobicContact SD-CG 4.45Å; P69-V94 HydrophobicContact CB-CG2 4.42Å; P69-V94 HydrophobicContact CG-CB 4.23Å; P69-V94 HydrophobicContact CG-CG1 3.83Å; P69-V94 HydrophobicContact CG-CG2 3.74Å
70V91.3Very high87.6Confident0 Ų074.4 Ų74.40%036%0.361CS..EExtended strand (participates in β ladder)trans-142.2152.6178.7-66.10000110.8V18 V19 V21 I45 L84 K86V18-V70 WeakPolarHBondContact CA-O 3.49Å; V19-V70 HydrophobicContact CG2-CG2 4.12Å; V19-V70 PolarHBondContact N-O 3.33Å; V19-V70 PolarHBondContact O-N 3.44Å; V21-V70 HydrophobicContact CB-CG2 4.12Å; V21-V70 HydrophobicContact CG1-CG2 3.43Å; V21-V70 VanDerWaalsContact CG1-CG2 3.43Å; V21-V70 HydrophobicContact CG2-CB 4.42Å; V21-V70 HydrophobicContact CG2-CG1 3.96Å; V21-V70 HydrophobicContact CG2-CG2 3.54Å; I45-V70 HydrophobicContact CD1-CG1 3.87Å; V70-L84 HydrophobicContact CB-CB 4.39Å; V70-L84 HydrophobicContact CG2-CB 4.14Å; V70-L84 HydrophobicContact CG2-CD1 4.1Å; V70-L84 HydrophobicContact CG2-CD2 3.96Å; V70-L84 HydrophobicContact CG2-CG 4.29Å; V70-K86 HydrophobicContact CG1-CB 4.23Å
71V91.8Very high87.9Confident13 Ų1373 Ų738%0.07935%0.352CS..EExtended strand (participates in β ladder)trans-94.4139.2174.8-172.40000110.1V18 L84 S85 R88 V89V18-V71 HydrophobicContact CG2-CG2 4.01Å; V71-L84 CarbonylContact O-C 3.44Å; V71-L84 WeakPolarHBondContact O-CA 3.44Å; V71-S85 PolarHBondContact N-O 3.03Å; V71-S85 PolarHBondContact O-N 3.37Å; V71-R88 HydrophobicContact CG2-CB 4.31Å; V71-V89 HydrophobicContact CG2-CB 4.32Å; V71-V89 HydrophobicContact CG2-CG2 3.59Å
72V91.9Very high88.6Confident0 Ų070.6 Ų70.60%034%0.339CS..EExtended strand (participates in β ladder)trans-78121.1172-179.20000110P13 E16 D17 V19 V75 I82 L84P13-V72 HydrophobicContact CB-CG2 3.89Å; P13-V72 HydrophobicContact CG-CG1 4.31Å; P13-V72 HydrophobicContact CG-CG2 3.76Å; E16-V72 WeakPolarHBondContact CA-O 3.44Å; E16-V72 PolarHBondContact N-O 3.45Å; D17-V72 PolarHBondContact O-N 3.05Å; V19-V72 HydrophobicContact CG1-CG2 4.36Å; V19-V72 HydrophobicContact CG2-CG2 3.93Å; V72-V75 HydrophobicContact CG1-CG2 3.37Å; V72-I82 HydrophobicContact CG1-CG2 3.99Å; V72-I82 HydrophobicContact CG2-CG2 4.41Å; V72-L84 HydrophobicContact CB-CD2 4.38Å; V72-L84 HydrophobicContact CG2-CD2 3.71Å
73I91.3Very high89Confident52 Ų5273 Ų7327%0.26735%0.352SS..EExtended strand (participates in β ladder)trans-92.6-48.3176.1-65.2-176.8000110.6I15 E49 D83I15-I73 VanDerWaalsContact CG2-O 3.31Å; I15-I73 WeakPolarHBondContact CG2-O 3.47Å; E49-I73 HydrophobicContact CG-CD1 3.96Å; I73-D83 PolarHBondContact N-O 3.05Å
74R90.1Very high89.4Confident161 Ų16164.6 Ų64.661%0.60832%0.321SS*.EExtended strand (participates in β ladder)trans-144.7139.6-172.6-169.9179.7-178.1-176.2-0.1110D83R74-D83 HydrophobicContact CB-CB 4.09Å; R74-D83 PolarHBondContact N-O 3.4Å; R74-D83 PolarHBondContact O-N 3.17Å
75V90.2Very high89.4Confident25 Ų2560.2 Ų60.215%0.15229%0.294CS..EExtended strand (participates in β ladder)trans-125.8118.2177.4-177.40000108.4Y12 P13 V72 K77 I82Y12-V75 HydrophobicContact CD1-CG1 4.35Å; Y12-V75 HydrophobicContact CG-CG1 4.35Å; P13-V75 HydrophobicContact CG-CG2 4.47Å; V72-V75 HydrophobicContact CG1-CG2 3.37Å; V75-K77 HydrophobicContact CG1-CG 4.07Å; V75-I82 HydrophobicContact CG1-CG1 4.49Å; V75-I82 HydrophobicContact CG2-CG2 4.41Å
76D90.8Very high89.4Confident46 Ų4660.1 Ų60.125%0.24628%0.279CS..EExtended strand (participates in β ladder)trans-96.2100167.7-171-27.1000108.4E78 K79 G80 Y81D76-E78 PolarHBondContact O-N 3Å; D76-E78 PolarHBondContact OD1-N 3.02Å; D76-E78 VanDerWaalsContact OD1-N 3.08Å; D76-K79 PolarHBondContact OD1-N 3.47Å; D76-K79 VanDerWaalsContact OD1-N 3.15Å; D76-G80 VanDerWaalsContact O-CA 3.3Å; D76-G80 WeakPolarHBondContact O-CA 3.42Å; D76-G80 PolarHBondContact O-N 2.55Å; D76-Y81 PolarHBondContact N-O 3.49Å; D76-Y81 PolarHBondContact O-N 3.38Å
77K85.6Confident89.2Confident152 Ų15259.4 Ų59.466%0.66127%0.273SS*.THydrogen-bonded Turntrans-70-21-177.2-64-179.2-178.5-179.50113Y12 V75Y12-K77 HydrophobicContact CD2-CG 4.35Å; V75-K77 HydrophobicContact CG1-CG 4.07Å
78E86.3Confident88.8Confident184 Ų18462.4 Ų62.486%0.8628%0.277SS*.THydrogen-bonded Turntrans-81.7-43.1-178.6-62.4-172.5165.900110.9D76D76-E78 PolarHBondContact O-N 3Å; D76-E78 PolarHBondContact OD1-N 3.02Å; D76-E78 VanDerWaalsContact OD1-N 3.08Å
79K84.5Confident88.7Confident145 Ų14562.5 Ų62.563%0.6328%0.279SS*.THydrogen-bonded Turntrans-92.2-16.3-178.9-59.4-173.6-174.8175.30113.6D76 Y81D76-K79 PolarHBondContact OD1-N 3.47Å; D76-K79 VanDerWaalsContact OD1-N 3.15Å; K79-Y81 VanDerWaalsContact C-N 3.31Å; K79-Y81 HydrophobicContact CB-CD2 3.39Å; K79-Y81 HydrophobicContact CB-CE2 3.6Å; K79-Y81 HydrophobicContact CB-CG 4.22Å; K79-Y81 HydrophobicContact CD-CD2 3.83Å; K79-Y81 HydrophobicContact CD-CE2 3.67Å; K79-Y81 HydrophobicContact CG-CD2 4.26Å; K79-Y81 HydrophobicContact CG-CE2 4.25Å
80G82.8Confident88.4Confident18 Ų1864 Ų6419%0.18629%0.291CS..THydrogen-bonded Turntrans76.515.9-174.800000113.8D76D76-G80 VanDerWaalsContact O-CA 3.3Å; D76-G80 WeakPolarHBondContact O-CA 3.42Å; D76-G80 PolarHBondContact O-N 2.55Å
81Y87.6Confident88.2Confident155 Ų15569 Ų6961%0.60832%0.323SS*.EExtended strand (participates in β ladder)trans-82.3130.3177.3-64-52.3000111D76 K79D76-Y81 PolarHBondContact N-O 3.49Å; D76-Y81 PolarHBondContact O-N 3.38Å; K79-Y81 VanDerWaalsContact C-N 3.31Å; K79-Y81 HydrophobicContact CB-CD2 3.39Å; K79-Y81 HydrophobicContact CB-CE2 3.6Å; K79-Y81 HydrophobicContact CB-CG 4.22Å; K79-Y81 HydrophobicContact CD-CD2 3.83Å; K79-Y81 HydrophobicContact CD-CE2 3.67Å; K79-Y81 HydrophobicContact CG-CD2 4.26Å; K79-Y81 HydrophobicContact CG-CE2 4.25Å
82I90.9Very high88Confident2 Ų274.5 Ų74.51%0.0135%0.348CS..EExtended strand (participates in β ladder)trans-121.9114.7176.6-54.7175.8000108Y12 P13 L35 I41 G43 M44 V72 V75 L84Y12-I82 HydrophobicContact CD1-CD1 4.4Å; P13-I82 HydrophobicContact CG-CD1 4.13Å; P13-I82 HydrophobicContact CG-CG2 4.45Å; L35-I82 HydrophobicContact CD1-CD1 4.15Å; L35-I82 HydrophobicContact CD2-CD1 3.94Å; I41-I82 HydrophobicContact CG2-CD1 3.69Å; G43-I82 WeakPolarHBondContact CA-O 3.48Å; M44-I82 PolarHBondContact N-O 2.97Å; V72-I82 HydrophobicContact CG1-CG2 3.99Å; V72-I82 HydrophobicContact CG2-CG2 4.41Å; V75-I82 HydrophobicContact CG1-CG1 4.49Å; V75-I82 HydrophobicContact CG2-CG2 4.41Å; I82-L84 HydrophobicContact CG2-CD2 3.71Å; I82-L84 HydrophobicContact CG2-CG 4.03Å
83D92Very high87.8Confident51 Ų5176.8 Ų76.827%0.27336%0.36SS..EExtended strand (participates in β ladder)trans-87.8124.4173.8-66.2-37000109.4I73 R74I73-D83 PolarHBondContact N-O 3.05Å; R74-D83 HydrophobicContact CB-CB 4.09Å; R74-D83 PolarHBondContact N-O 3.4Å; R74-D83 PolarHBondContact O-N 3.17Å
84L91.8Very high87.6Confident1 Ų176.6 Ų76.61%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-118152.4-173.5-62.2167.9000110.9V19 V21 V33 L35 M44 I45 V70 V71 V72 I82V19-L84 HydrophobicContact CG2-CD2 4.26Å; V21-L84 HydrophobicContact CG1-CD1 4.02Å; V33-L84 HydrophobicContact CG2-CD1 3.22Å; L35-L84 HydrophobicContact CD1-CD1 4.07Å; M44-L84 PolarHBondContact O-N 3.39Å; I45-L84 HydrophobicContact CG1-CB 3.68Å; I45-L84 HydrophobicContact CG1-CD1 4.34Å; V70-L84 HydrophobicContact CB-CB 4.39Å; V70-L84 HydrophobicContact CG2-CB 4.14Å; V70-L84 HydrophobicContact CG2-CD1 4.1Å; V70-L84 HydrophobicContact CG2-CD2 3.96Å; V70-L84 HydrophobicContact CG2-CG 4.29Å; V71-L84 CarbonylContact O-C 3.44Å; V71-L84 WeakPolarHBondContact O-CA 3.44Å; V72-L84 HydrophobicContact CB-CD2 4.38Å; V72-L84 HydrophobicContact CG2-CD2 3.71Å; I82-L84 HydrophobicContact CG2-CD2 3.71Å; I82-L84 HydrophobicContact CG2-CG 4.03Å
85S90.7Very high87.6Confident0 Ų075.4 Ų75.40%036%0.363CS..EExtended strand (participates in β ladder)trans-137.1130.3176.6173.60000112.6E49 V71 R87 R88E49-S85 PolarHBondContact O-OG 3.34Å; E49-S85 WeakPolarHBondContact OE2-CB 3.29Å; E49-S85 PolarHBondContact OE2-OG 2.85Å; V71-S85 PolarHBondContact N-O 3.03Å; V71-S85 PolarHBondContact O-N 3.37Å; S85-R87 PolarHBondContact OG-N 3.43Å; S85-R88 PolarHBondContact OG-N 3.41Å
86K87.3Confident87.4Confident50 Ų5080.2 Ų80.222%0.21738%0.381CS..SBendtrans-86.9-24.5169-168.7175.4-173.3169.50111.4E49 L50 L61 E68 V70 R88 V89E49-K86 PolarHBondContact O-N 3.35Å; L50-K86 HydrophobicContact CD1-CB 4.21Å; L50-K86 HydrophobicContact CD1-CD 3.87Å; L61-K86 PolarHBondContact O-NZ 3.45Å; E68-K86 IonicContact OE1-NZ 3.45Å; E68-K86 VanDerWaalsContact OE2-CE 3.25Å; E68-K86 WeakPolarHBondContact OE2-CE 3.02Å; E68-K86 IonicContact OE2-NZ 2.83Å; E68-K86 PolarHBondContact OE2-NZ 2.86Å; V70-K86 HydrophobicContact CG1-CB 4.23Å; K86-R88 VanDerWaalsContact C-N 3.3Å; K86-R88 PolarHBondContact O-N 2.92Å; K86-V89 PolarHBondContact O-N 2.86Å
87R85.2Confident87.1Confident95 Ų9578.3 Ų78.336%0.35837%0.371SS..THydrogen-bonded Turntrans-64.7-31.7-174.7-167.6-178.679.6174.46.5113.8E49 R52 S85E49-R87 WeakPolarHBondContact O-CB 3.37Å; E49-R87 PolarHBondContact O-N 3.3Å; E49-R87 IonicContact OE1-CZ 3.98Å; E49-R87 IonicContact OE1-NH2 3.55Å; E49-R87 IonicContact OE2-CZ 3.32Å; E49-R87 IonicContact OE2-NE 2.89Å; E49-R87 PolarHBondContact OE2-NE 2.99Å; R52-R87 HydrophobicContact CB-CG 4.36Å; R52-R87 HydrophobicContact CG-CG 3.36Å; R52-R87 PolarHBondContact NE-O 2.88Å; R52-R87 PolarHBondContact NH2-O 3.32Å; S85-R87 PolarHBondContact OG-N 3.43Å
88R83.1Confident87.2Confident124 Ų12473.9 Ų73.947%0.46836%0.357SS..THydrogen-bonded Turntrans-90-6.1-174.5-63.3-177.5-171.6-135.63.9113.9E49 V71 S85 K86 S90E49-R88 IonicContact OE1-NE 3.89Å; E49-R88 IonicContact OE1-NH2 2.82Å; E49-R88 PolarHBondContact OE1-NH2 2.86Å; E49-R88 IonicContact OE2-NE 3.94Å; V71-R88 HydrophobicContact CG2-CB 4.31Å; S85-R88 PolarHBondContact OG-N 3.41Å; K86-R88 VanDerWaalsContact C-N 3.3Å; K86-R88 PolarHBondContact O-N 2.92Å; R88-S90 PolarHBondContact O-N 2.92Å
89V85.6Confident87.3Confident22 Ų2270.2 Ų70.213%0.13334%0.34CS..  trans-75.3125.3-178.3-169.20000109.7V18 V71 K86 D93 V94V18-V89 HydrophobicContact CG1-CG1 4.46Å; V71-V89 HydrophobicContact CG2-CB 4.32Å; V71-V89 HydrophobicContact CG2-CG2 3.59Å; K86-V89 PolarHBondContact O-N 2.86Å; V89-D93 HydrophobicContact CG1-CB 4.38Å; V89-V94 HydrophobicContact CG1-CG2 3.45Å; V89-V94 VanDerWaalsContact CG1-CG2 3.45Å
90S86.3Confident87.3Confident49 Ų4965.1 Ų65.134%0.34332%0.317SS..  trans-85.8152.6170.6-42.50000110R88 E92 D93 V94R88-S90 PolarHBondContact O-N 2.92Å; S90-E92 VanDerWaalsContact C-N 3.27Å; S90-E92 PolarHBondContact O-N 3.01Å; S90-D93 WeakPolarHBondContact CB-OD2 3.35Å; S90-D93 PolarHBondContact N-OD2 3.4Å; S90-D93 WeakPolarHBondContact O-CB 3.29Å; S90-D93 PolarHBondContact O-N 3.46Å; S90-D93 PolarHBondContact OG-OD2 2.68Å; S90-V94 PolarHBondContact O-N 2.91Å
91P86.5Confident87.4Confident105 Ų10565.3 Ų65.368%0.68231%0.313SS*.Hα-helixtrans-58.4-38177.623.5-33.3000112.6D93 V94 E95P91-D93 VanDerWaalsContact C-N 3.26Å; P91-D93 PolarHBondContact O-N 2.87Å; P91-V94 WeakPolarHBondContact O-CB 3.02Å; P91-V94 PolarHBondContact O-N 3.11Å; P91-V94 VanDerWaalsContact O-N 3.14Å; P91-E95 PolarHBondContact O-N 3.4Å
92E88.5Confident87.4Confident127 Ų12760.6 Ų60.659%0.59331%0.306SS*.Hα-helixtrans-61.4-34.2174.4-61.5-179.5-164.200112.9S90 K96S90-E92 VanDerWaalsContact C-N 3.27Å; S90-E92 PolarHBondContact O-N 3.01Å; E92-K96 WeakPolarHBondContact O-CG 3.26Å; E92-K96 PolarHBondContact O-N 3.39Å; E92-K96 VanDerWaalsContact O-N 3.17Å
93D86.8Confident87Confident49 Ų4962.4 Ų62.426%0.26231%0.314SS..Hα-helixtrans-75.2-31.5178.1-59.7-40.3000111.1V18 V89 S90 P91 C97V18-D93 HydrophobicContact CG2-CB 4.28Å; V89-D93 HydrophobicContact CG1-CB 4.38Å; S90-D93 WeakPolarHBondContact CB-OD2 3.35Å; S90-D93 PolarHBondContact N-OD2 3.4Å; S90-D93 WeakPolarHBondContact O-CB 3.29Å; S90-D93 PolarHBondContact O-N 3.46Å; S90-D93 PolarHBondContact OG-OD2 2.68Å; P91-D93 VanDerWaalsContact C-N 3.26Å; P91-D93 PolarHBondContact O-N 2.87Å; D93-C97 WeakPolarHBondContact O-CB 3.48Å; D93-C97 PolarHBondContact O-N 3.33Å
94V87.7Confident86.6Confident48 Ų4860.5 Ų60.529%0.29131%0.305SS..Hα-helixtrans-59.3-50.4172.1173.30000109.8P69 V89 S90 P91 C97 T98P69-V94 HydrophobicContact CB-CG2 4.42Å; P69-V94 HydrophobicContact CG-CB 4.23Å; P69-V94 HydrophobicContact CG-CG1 3.83Å; P69-V94 HydrophobicContact CG-CG2 3.74Å; V89-V94 HydrophobicContact CG1-CG2 3.45Å; V89-V94 VanDerWaalsContact CG1-CG2 3.45Å; S90-V94 PolarHBondContact O-N 2.91Å; P91-V94 WeakPolarHBondContact O-CB 3.02Å; P91-V94 PolarHBondContact O-N 3.11Å; P91-V94 VanDerWaalsContact O-N 3.14Å; V94-C97 PolarHBondContact O-N 3.3Å; V94-T98 HydrophobicContact CG1-CG2 4.19Å; V94-T98 VanDerWaalsContact O-CG2 3.28Å; V94-T98 WeakPolarHBondContact O-CG2 3.09Å; V94-T98 PolarHBondContact O-N 3Å; V94-T98 PolarHBondContact O-OG1 2.87Å
95E89.1Confident86.3Confident136 Ų13666.4 Ų66.464%0.63633%0.331SS*.Hα-helixtrans-63.2-45.6-178.4-67.4178.5165.200112.2P91 C97 T98 E99P91-E95 PolarHBondContact O-N 3.4Å; E95-C97 VanDerWaalsContact C-N 3.31Å; E95-C97 PolarHBondContact O-N 2.89Å; E95-T98 WeakPolarHBondContact CA-OG1 3.23Å; E95-T98 PolarHBondContact O-N 2.89Å; E95-T98 PolarHBondContact O-OG1 2.84Å; E95-E99 WeakPolarHBondContact O-CB 3.38Å; E95-E99 PolarHBondContact O-N 2.91Å
96K86.5Confident85.9Confident126 Ų12668.1 Ų68.155%0.54835%0.345SS..Hα-helixtrans-62.1-40.4176.2-70.4170.5-171.6162.60111.8E92 R100E92-K96 WeakPolarHBondContact O-CG 3.26Å; E92-K96 PolarHBondContact O-N 3.39Å; E92-K96 VanDerWaalsContact O-N 3.17Å; K96-R100 VanDerWaalsContact O-CB 3.29Å; K96-R100 WeakPolarHBondContact O-CB 3.5Å; K96-R100 PolarHBondContact O-N 2.87Å
97C85.4Confident85.7Confident5 Ų566.3 Ų66.33%0.03434%0.338CS..Hα-helixtrans-68.7-43179.1-173.90000111.6V18 D93 V94 E95 R100 F101V18-C97 HydrophobicContact CB-CB 4.29Å; V18-C97 HydrophobicContact CG1-CB 3.76Å; V18-C97 PolarHBondContact O-SG 2.89Å; D93-C97 WeakPolarHBondContact O-CB 3.48Å; D93-C97 PolarHBondContact O-N 3.33Å; V94-C97 PolarHBondContact O-N 3.3Å; E95-C97 VanDerWaalsContact C-N 3.31Å; E95-C97 PolarHBondContact O-N 2.89Å; C97-R100 PolarHBondContact O-N 2.79Å; C97-F101 WeakPolarHBondContact O-CB 3.46Å; C97-F101 PolarHBondContact O-N 3.11Å
98T87.7Confident85.6Confident59 Ų5963 Ų6336%0.36233%0.327SS..Hα-helixtrans-65.4-40.1177.8560000111.3M20 V94 E95 A102M20-T98 HydrophobicContact CE-CG2 4.3Å; M20-T98 HydrophobicContact SD-CG2 4.32Å; V94-T98 HydrophobicContact CG1-CG2 4.19Å; V94-T98 VanDerWaalsContact O-CG2 3.28Å; V94-T98 WeakPolarHBondContact O-CG2 3.09Å; V94-T98 PolarHBondContact O-N 3Å; V94-T98 PolarHBondContact O-OG1 2.87Å; E95-T98 WeakPolarHBondContact CA-OG1 3.23Å; E95-T98 PolarHBondContact O-N 2.89Å; E95-T98 PolarHBondContact O-OG1 2.84Å; T98-A102 VanDerWaalsContact O-CB 3.29Å; T98-A102 WeakPolarHBondContact O-CB 3.41Å; T98-A102 PolarHBondContact O-N 3.11Å
99E87Confident85.6Confident108 Ų10859.5 Ų59.551%0.50532%0.322SS..Hα-helixtrans-64.2-48.2175.1-166.8-167.4160.700111.5E95 F101 A102 K103E95-E99 WeakPolarHBondContact O-CB 3.38Å; E95-E99 PolarHBondContact O-N 2.91Å; E99-F101 PolarHBondContact O-N 3.2Å; E99-A102 PolarHBondContact O-N 3.4Å; E99-K103 WeakPolarHBondContact O-CG 3.33Å; E99-K103 PolarHBondContact O-N 2.85Å; E99-K103 WeakPolarHBondContact OE1-CE 3.36Å; E99-K103 IonicContact OE1-NZ 3.8Å; E99-K103 PolarHBondContact OE1-NZ 2.91Å
100R84.9Confident85.4Confident37 Ų3758.6 Ų58.614%0.1432%0.316CS..Hα-helixtrans-59-46.9176.7177176.5160.7-157.8-14.9111.3Y8 D17 K96 C97 A102 K103 A104 K144Y8-R100 VanDerWaalsContact CZ-NH2 3.3Å; Y8-R100 PolarHBondContact OH-NE 3.08Å; Y8-R100 PolarHBondContact OH-NH2 3.1Å; D17-R100 IonicContact OD1-CZ 3.84Å; D17-R100 IonicContact OD1-NH1 3.71Å; D17-R100 PolarHBondContact OD1-NH1 2.86Å; D17-R100 IonicContact OD1-NH2 3.13Å; D17-R100 IonicContact OD2-CZ 2.55Å; D17-R100 IonicContact OD2-NH1 2.69Å; D17-R100 IonicContact OD2-NH2 2.65Å; D17-R100 PolarHBondContact OD2-NH2 2.88Å; K96-R100 VanDerWaalsContact O-CB 3.29Å; K96-R100 WeakPolarHBondContact O-CB 3.5Å; K96-R100 PolarHBondContact O-N 2.87Å; C97-R100 PolarHBondContact O-N 2.79Å; R100-A102 PolarHBondContact O-N 3.42Å; R100-K103 PolarHBondContact O-N 3.33Å; R100-A104 WeakPolarHBondContact O-CB 3.1Å; R100-A104 PolarHBondContact O-N 3.31Å; R100-K144 VanDerWaalsContact NH2-CE 3.28Å
101F85.9Confident85.1Confident22 Ų2256.2 Ų56.210%0.09630%0.3CS..Hα-helixtrans-63.4-41178.4-179.9-106.5000112M20 L36 E37 C97 E99 A104 K105M20-F101 HydrophobicContact CB-CB 4.32Å; M20-F101 HydrophobicContact CB-CD1 4.24Å; M20-F101 HydrophobicContact CB-CD2 3.75Å; M20-F101 HydrophobicContact CB-CE2 4.09Å; M20-F101 HydrophobicContact CB-CG 3.83Å; M20-F101 HydrophobicContact CB-CZ 4.47Å; M20-F101 HydrophobicContact CG-CB 3.66Å; M20-F101 HydrophobicContact CG-CD1 4Å; M20-F101 HydrophobicContact CG-CD2 4.05Å; M20-F101 HydrophobicContact CG-CG 3.62Å; L36-F101 HydrophobicContact CB-CE2 3.8Å; L36-F101 HydrophobicContact CB-CZ 4Å; L36-F101 HydrophobicContact CD1-CE1 4.46Å; L36-F101 HydrophobicContact CD1-CE2 4.26Å; L36-F101 HydrophobicContact CD1-CZ 3.67Å; E37-F101 HydrophobicContact CG-CD2 3.64Å; E37-F101 HydrophobicContact CG-CE2 3.92Å; C97-F101 WeakPolarHBondContact O-CB 3.46Å; C97-F101 PolarHBondContact O-N 3.11Å; E99-F101 PolarHBondContact O-N 3.2Å; F101-A104 PolarHBondContact O-N 2.84Å; F101-K105 HydrophobicContact CE1-CD 4.02Å; F101-K105 HydrophobicContact CZ-CD 4.32Å; F101-K105 WeakPolarHBondContact O-CB 3.46Å; F101-K105 PolarHBondContact O-N 2.78Å
102A85.8Confident84.9Confident57 Ų5756.3 Ų56.347%0.47129%0.286SS..Hα-helixtrans-61.8-44.7176.800000111.8T98 E99 R100 K105 A106T98-A102 VanDerWaalsContact O-CB 3.29Å; T98-A102 WeakPolarHBondContact O-CB 3.41Å; T98-A102 PolarHBondContact O-N 3.11Å; E99-A102 PolarHBondContact O-N 3.4Å; R100-A102 PolarHBondContact O-N 3.42Å; A102-K105 PolarHBondContact O-N 3.46Å; A102-A106 PolarHBondContact O-N 2.88Å
103K83.6Confident84.6Confident39 Ų3953.7 Ų53.717%0.1727%0.274CS..Hα-helixtrans-60.5-48.9175-73.8177.1-176.6174.30111.7E99 R100 K105 A106 I107 T145 Y148E99-K103 WeakPolarHBondContact O-CG 3.33Å; E99-K103 PolarHBondContact O-N 2.85Å; E99-K103 WeakPolarHBondContact OE1-CE 3.36Å; E99-K103 IonicContact OE1-NZ 3.8Å; E99-K103 PolarHBondContact OE1-NZ 2.91Å; R100-K103 PolarHBondContact O-N 3.33Å; K103-K105 PolarHBondContact O-N 3.02Å; K103-A106 WeakPolarHBondContact O-CB 3.4Å; K103-A106 PolarHBondContact O-N 3.41Å; K103-I107 WeakPolarHBondContact O-CG1 3.46Å; K103-I107 PolarHBondContact O-N 2.84Å; K103-T145 HydrophobicContact CD-CG2 3.7Å; K103-Y148 HydrophobicContact CB-CD2 4.14Å; K103-Y148 HydrophobicContact CB-CG 3.93Å; K103-Y148 HydrophobicContact CD-CD1 4.05Å; K103-Y148 HydrophobicContact CD-CG 4.17Å; K103-Y148 HydrophobicContact CG-CD1 3.91Å; K103-Y148 HydrophobicContact CG-CD2 4.2Å; K103-Y148 HydrophobicContact CG-CE1 4.43Å; K103-Y148 HydrophobicContact CG-CG 3.78Å
104A83.1Confident84.4Confident12 Ų1251.4 Ų51.410%0.09926%0.261CS..Hα-helixtrans-66.6-37.2-179.200000111.7F7 R100 F101 I107 N108F7-A104 HydrophobicContact CD1-CB 3.64Å; F7-A104 WeakPolarHBondContact CD1-O 3.46Å; F7-A104 HydrophobicContact CE1-CB 4.25Å; R100-A104 WeakPolarHBondContact O-CB 3.1Å; R100-A104 PolarHBondContact O-N 3.31Å; F101-A104 PolarHBondContact O-N 2.84Å; A104-I107 PolarHBondContact O-N 2.87Å; A104-N108 PolarHBondContact O-N 2.97Å
105K84.7Confident84.1Confident124 Ų12449.1 Ų49.154%0.53925%0.248SC..Hα-helixtrans-65-37.2174.5-175.3179.8178.9-177.20112.6F7 F101 A102 K103 S109F7-K105 HydrophobicContact CE1-CB 4.21Å; F101-K105 HydrophobicContact CE1-CD 4.02Å; F101-K105 HydrophobicContact CZ-CD 4.32Å; F101-K105 WeakPolarHBondContact O-CB 3.46Å; F101-K105 PolarHBondContact O-N 2.78Å; A102-K105 PolarHBondContact O-N 3.46Å; K103-K105 PolarHBondContact O-N 3.02Å; K105-S109 VanDerWaalsContact O-CB 3.31Å; K105-S109 WeakPolarHBondContact O-CB 3.08Å; K105-S109 PolarHBondContact O-N 2.82Å
106A83.2Confident83.8Confident36 Ų3646.7 Ų46.730%0.29824%0.239SC..Hα-helixtrans-62.6-45.3174.400000111.4A102 K103 S109 L110 Y148A102-A106 PolarHBondContact O-N 2.88Å; K103-A106 WeakPolarHBondContact O-CB 3.4Å; K103-A106 PolarHBondContact O-N 3.41Å; A106-S109 PolarHBondContact O-N 3.3Å; A106-L110 WeakPolarHBondContact O-CG 3.46Å; A106-L110 PolarHBondContact O-N 2.65Å; A106-Y148 HydrophobicContact CB-CE2 4.26Å
107I82.8Confident83.6Confident12 Ų1244.8 Ų44.86%0.06223%0.234CC..Hα-helixtrans-64.4-46.7177.1-61.9168.3000111K103 A104 S109 L110 L111 A134 A147 Y148 F151K103-I107 WeakPolarHBondContact O-CG1 3.46Å; K103-I107 PolarHBondContact O-N 2.84Å; A104-I107 PolarHBondContact O-N 2.87Å; I107-S109 VanDerWaalsContact C-N 3.32Å; I107-S109 PolarHBondContact O-N 2.8Å; I107-L110 WeakPolarHBondContact O-CB 3.28Å; I107-L110 PolarHBondContact O-N 3.34Å; I107-L110 VanDerWaalsContact O-N 3.11Å; I107-L111 HydrophobicContact CG2-CD1 3.82Å; I107-L111 HydrophobicContact CG2-CG 4.3Å; I107-L111 PolarHBondContact O-N 3.3Å; I107-A134 HydrophobicContact CG2-CB 4.49Å; I107-A147 HydrophobicContact CD1-CB 3.7Å; I107-Y148 HydrophobicContact CG1-CD2 4.39Å; I107-F151 HydrophobicContact CG2-CZ 4.38Å
108N83.4Confident83.2Confident27 Ų2746.7 Ų46.714%0.14424%0.244CC..Hα-helixtrans-61-43178-179.67.8000111.2F7 A104 L110 L111 R112 Y130F7-N108 HydrophobicContact CD1-CB 4.04Å; F7-N108 HydrophobicContact CE1-CB 3.79Å; F7-N108 HydrophobicContact CE2-CB 4.44Å; F7-N108 WeakPolarHBondContact CE2-ND2 3.3Å; F7-N108 HydrophobicContact CZ-CB 4Å; F7-N108 WeakPolarHBondContact CZ-ND2 3.24Å; A104-N108 PolarHBondContact O-N 2.97Å; N108-L110 VanDerWaalsContact C-N 3.27Å; N108-L110 PolarHBondContact O-N 3.13Å; N108-L111 PolarHBondContact O-N 3.35Å; N108-R112 WeakPolarHBondContact O-CB 3.09Å; N108-R112 PolarHBondContact O-N 2.89Å; N108-Y130 VanDerWaalsContact CA-OH 3.29Å; N108-Y130 WeakPolarHBondContact CA-OH 3.45Å; N108-Y130 VanDerWaalsContact CG-OH 3.28Å; N108-Y130 PolarHBondContact OD1-OH 3.34Å
109S82.8Confident82.5Confident50 Ų5046.5 Ų46.535%0.3525%0.253SS..Hα-helixtrans-60.9-36.1175.3179.30000112.8K105 A106 I107 H113 K181K105-S109 VanDerWaalsContact O-CB 3.31Å; K105-S109 WeakPolarHBondContact O-CB 3.08Å; K105-S109 PolarHBondContact O-N 2.82Å; A106-S109 PolarHBondContact O-N 3.3Å; I107-S109 VanDerWaalsContact C-N 3.32Å; I107-S109 PolarHBondContact O-N 2.8Å; S109-H113 WeakPolarHBondContact O-CB 3.36Å; S109-H113 PolarHBondContact O-N 3.46Å; S109-H113 VanDerWaalsContact O-N 3.11Å; S109-K181 PolarHBondContact OG-NZ 3.21Å
110L81.1Confident81.7Confident2 Ų243 Ų431%0.0124%0.236CC..Hα-helixtrans-68.1-53.1175.7-84.3160.2000112.2A106 I107 N108 R112 H113 V114 N177 K181 L182A106-L110 WeakPolarHBondContact O-CG 3.46Å; A106-L110 PolarHBondContact O-N 2.65Å; I107-L110 WeakPolarHBondContact O-CB 3.28Å; I107-L110 PolarHBondContact O-N 3.34Å; I107-L110 VanDerWaalsContact O-N 3.11Å; N108-L110 VanDerWaalsContact C-N 3.27Å; N108-L110 PolarHBondContact O-N 3.13Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.17Å; L110-H113 PolarHBondContact O-N 3.17Å; L110-H113 VanDerWaalsContact O-N 3.11Å; L110-V114 WeakPolarHBondContact O-CG2 3.31Å; L110-V114 PolarHBondContact O-N 3.11Å; L110-N177 HydrophobicContact CD2-CB 4.13Å; L110-K181 HydrophobicContact CD1-CB 4.46Å; L110-K181 HydrophobicContact CD2-CB 3.79Å; L110-K181 HydrophobicContact CD2-CD 3.8Å; L110-K181 HydrophobicContact CD2-CG 3.85Å; L110-K181 HydrophobicContact CG-CB 4.34Å; L110-K181 HydrophobicContact CG-CD 4.07Å; L110-L182 HydrophobicContact CD1-CD1 3.12Å; L110-L182 HydrophobicContact CG-CD1 4.49Å
111L80.5Confident80.7Confident0 Ų050.4 Ų50.40%027%0.273CS..Hα-helixtrans-63.4-38.7-178.9-71.3174.1000111.4I107 N108 V114 A115 L129 Y130 A134 L174I107-L111 HydrophobicContact CG2-CD1 3.82Å; I107-L111 HydrophobicContact CG2-CG 4.3Å; I107-L111 PolarHBondContact O-N 3.3Å; N108-L111 PolarHBondContact O-N 3.35Å; L111-V114 PolarHBondContact O-N 2.96Å; L111-A115 VanDerWaalsContact O-CB 3.32Å; L111-A115 WeakPolarHBondContact O-CB 3.44Å; L111-A115 PolarHBondContact O-N 2.82Å; L111-L129 HydrophobicContact CD2-CD2 4.07Å; L111-L129 HydrophobicContact CD2-CG 4.19Å; L111-Y130 HydrophobicContact CB-CE1 4.37Å; L111-Y130 HydrophobicContact CB-CE2 4.23Å; L111-Y130 HydrophobicContact CD1-CD1 3.65Å; L111-Y130 HydrophobicContact CD1-CE1 3.35Å; L111-Y130 HydrophobicContact CD1-CE2 4.35Å; L111-Y130 HydrophobicContact CD1-CG 4.25Å; L111-Y130 HydrophobicContact CG-CE1 4.49Å; L111-A134 HydrophobicContact CD1-CB 4.09Å; L111-L174 HydrophobicContact CD2-CD1 4.03Å
112R81.9Confident79.9Confident107 Ų10750.9 Ų50.940%0.40428%0.284SS..Hα-helixtrans-61-44.4172.1-176.2176172.7-162.5-1.6111.8N108 L110 A115 D116N108-R112 WeakPolarHBondContact O-CB 3.09Å; N108-R112 PolarHBondContact O-N 2.89Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.17Å; R112-A115 PolarHBondContact O-N 3.36Å; R112-D116 VanDerWaalsContact O-CG 3.26Å; R112-D116 PolarHBondContact O-N 2.82Å
113H83.1Confident79.2Confident72 Ų7251.5 Ų51.533%0.33328%0.279SS..Hα-helixtrans-66.4-38.9178.5-17050.5000112.4S109 L110 A115 D116 I117 N177S109-H113 WeakPolarHBondContact O-CB 3.36Å; S109-H113 PolarHBondContact O-N 3.46Å; S109-H113 VanDerWaalsContact O-N 3.11Å; L110-H113 PolarHBondContact O-N 3.17Å; L110-H113 VanDerWaalsContact O-N 3.11Å; H113-A115 VanDerWaalsContact C-N 3.31Å; H113-A115 PolarHBondContact O-N 3.36Å; H113-D116 PolarHBondContact O-N 2.63Å; H113-I117 VanDerWaalsContact O-CG1 3.29Å; H113-I117 WeakPolarHBondContact O-CG1 3.11Å; H113-I117 PolarHBondContact O-N 3.09Å; H113-N177 PolarHBondContact CD2-OD1 3.05Å
114V81.9Confident78.6Confident0 Ų057.1 Ų57.10%031%0.306CS..Hα-helixtrans-63-39.8173.41720000110.6L110 L111 I117 L118 L129 V173 L174 N177L110-V114 WeakPolarHBondContact O-CG2 3.31Å; L110-V114 PolarHBondContact O-N 3.11Å; L111-V114 PolarHBondContact O-N 2.96Å; V114-I117 PolarHBondContact O-N 3.18Å; V114-L118 HydrophobicContact CG1-CD1 3.76Å; V114-L118 VanDerWaalsContact O-CG 3.3Å; V114-L118 WeakPolarHBondContact O-CG 3.38Å; V114-L118 PolarHBondContact O-N 2.97Å; V114-L129 HydrophobicContact CG1-CD2 4.38Å; V114-V173 HydrophobicContact CG1-CG1 4.12Å; V114-V173 HydrophobicContact CG2-CG1 4.39Å; V114-L174 HydrophobicContact CG2-CD1 3.9Å; V114-N177 HydrophobicContact CG2-CB 4.01Å
115A82.3Confident78Confident0 Ų062.3 Ų62.30%033%0.326CS..Hα-helixtrans-68.4-37.4176.700000113.4L111 R112 H113 I117 L118 G119 F120 L126L111-A115 VanDerWaalsContact O-CB 3.32Å; L111-A115 WeakPolarHBondContact O-CB 3.44Å; L111-A115 PolarHBondContact O-N 2.82Å; R112-A115 PolarHBondContact O-N 3.36Å; H113-A115 VanDerWaalsContact C-N 3.31Å; H113-A115 PolarHBondContact O-N 3.36Å; A115-I117 VanDerWaalsContact C-N 3.33Å; A115-L118 PolarHBondContact O-N 3.27Å; A115-G119 PolarHBondContact O-N 3.32Å; A115-G119 VanDerWaalsContact O-N 3.13Å; A115-F120 HydrophobicContact CB-CD2 4.02Å; A115-F120 PolarHBondContact O-N 2.89Å; A115-F120 VanDerWaalsContact O-N 3.1Å; A115-L126 HydrophobicContact CB-CD1 3.61Å
116D82.7Confident77.5Confident86 Ų8656.5 Ų56.546%0.4630%0.301SS..Hα-helixtrans-62.9-40.8173.3-69.1-26.6000110.6R112 H113 G119R112-D116 VanDerWaalsContact O-CG 3.26Å; R112-D116 PolarHBondContact O-N 2.82Å; H113-D116 PolarHBondContact O-N 2.63Å; D116-G119 PolarHBondContact O-N 2.93Å
117I82.1Confident77.1Confident86 Ų8657.1 Ų57.144%0.44130%0.298SS..Hα-helixtrans-67.1-40.1177.4-68.1164.5000111.6H113 V114 A115 G119 V173 N177H113-I117 VanDerWaalsContact O-CG1 3.29Å; H113-I117 WeakPolarHBondContact O-CG1 3.11Å; H113-I117 PolarHBondContact O-N 3.09Å; V114-I117 PolarHBondContact O-N 3.18Å; A115-I117 VanDerWaalsContact C-N 3.33Å; I117-G119 PolarHBondContact O-N 2.65Å; I117-V173 HydrophobicContact CB-CG1 4.2Å; I117-V173 HydrophobicContact CD1-CG1 4.13Å; I117-V173 HydrophobicContact CG2-CG1 3.82Å; I117-V173 HydrophobicContact CG2-CG2 4.49Å; I117-N177 WeakPolarHBondContact CD1-ND2 3.14Å
118L76.4Confident76.9Confident45 Ų4560.4 Ų60.424%0.23632%0.315CS..THydrogen-bonded Turntrans-77.9-2.8179.1-66.6167.7000113.1V114 A115 F120 T170V114-L118 HydrophobicContact CG1-CD1 3.76Å; V114-L118 VanDerWaalsContact O-CG 3.3Å; V114-L118 WeakPolarHBondContact O-CG 3.38Å; V114-L118 PolarHBondContact O-N 2.97Å; A115-L118 PolarHBondContact O-N 3.27Å; L118-F120 VanDerWaalsContact C-N 3.34Å; L118-F120 HydrophobicContact CB-CD2 3.87Å; L118-F120 HydrophobicContact CB-CE1 4.34Å; L118-F120 HydrophobicContact CB-CE2 3.58Å; L118-F120 HydrophobicContact CB-CG 4.37Å; L118-F120 HydrophobicContact CB-CZ 3.84Å; L118-F120 HydrophobicContact CD1-CD2 4.36Å; L118-F120 HydrophobicContact CD1-CE2 3.47Å; L118-F120 VanDerWaalsContact CD1-CE2 3.47Å; L118-F120 HydrophobicContact CD1-CZ 3.91Å; L118-F120 HydrophobicContact CG-CE2 4.17Å; L118-F120 HydrophobicContact CG-CZ 4.45Å; L118-F120 PolarHBondContact O-N 3.29Å; L118-T170 HydrophobicContact CD1-CG2 3.81Å; L118-T170 WeakPolarHBondContact CD1-OG1 2.91Å
119G73.5Confident76.6Confident54 Ų5459.5 Ų59.556%0.55731%0.31SS*.THydrogen-bonded Turntrans67.531177.400000113.6A115 D116 I117 E121A115-G119 PolarHBondContact O-N 3.32Å; A115-G119 VanDerWaalsContact O-N 3.13Å; D116-G119 PolarHBondContact O-N 2.93Å; I117-G119 PolarHBondContact O-N 2.65Å; G119-E121 PolarHBondContact O-N 2.94Å
120F69.5Low76.4Confident35 Ų3557.2 Ų57.215%0.15429%0.294CS..  trans-74.797.3177.3-64.5-43.4000110.9L3 A115 L118 G122 K125L3-F120 VanDerWaalsContact CD1-O 3.3Å; L3-F120 WeakPolarHBondContact CD1-O 3.31Å; L3-F120 WeakPolarHBondContact CD2-O 3.28Å; A115-F120 HydrophobicContact CB-CD2 4.02Å; A115-F120 PolarHBondContact O-N 2.89Å; A115-F120 VanDerWaalsContact O-N 3.1Å; L118-F120 VanDerWaalsContact C-N 3.34Å; L118-F120 HydrophobicContact CB-CD2 3.87Å; L118-F120 HydrophobicContact CB-CE1 4.34Å; L118-F120 HydrophobicContact CB-CE2 3.58Å; L118-F120 HydrophobicContact CB-CG 4.37Å; L118-F120 HydrophobicContact CB-CZ 3.84Å; L118-F120 HydrophobicContact CD1-CD2 4.36Å; L118-F120 HydrophobicContact CD1-CE2 3.47Å; L118-F120 VanDerWaalsContact CD1-CE2 3.47Å; L118-F120 HydrophobicContact CD1-CZ 3.91Å; L118-F120 HydrophobicContact CG-CE2 4.17Å; L118-F120 HydrophobicContact CG-CZ 4.45Å; L118-F120 PolarHBondContact O-N 3.29Å; F120-G122 PolarHBondContact O-N 2.83Å; F120-K125 HydrophobicContact CB-CB 4.2Å; F120-K125 HydrophobicContact CD1-CB 3.88Å; F120-K125 HydrophobicContact CD1-CD 3.36Å; F120-K125 HydrophobicContact CD1-CG 4.27Å; F120-K125 HydrophobicContact CE1-CB 4.38Å; F120-K125 HydrophobicContact CE1-CD 3.79Å; F120-K125 HydrophobicContact CG-CB 3.96Å; F120-K125 HydrophobicContact CG-CD 4.2Å
121E65.4Low76.1Confident193 Ų19361.6 Ų61.690%0.90232%0.315SS*.  trans-74.7-13.9176-61.7-175.2158.200113.5G119G119-E121 PolarHBondContact O-N 2.94Å
122G67.6Low75.8Confident32 Ų3266.3 Ų66.333%0.3334%0.335SS..  trans-104.2130.1-175.700000113.5F120 E124 K125 L126F120-G122 PolarHBondContact O-N 2.83Å; G122-E124 PolarHBondContact O-N 2.91Å; G122-K125 PolarHBondContact O-N 3.25Å; G122-L126 PolarHBondContact O-N 3.43Å
123N71.1Confident75.3Confident69 Ų6961.2 Ų61.237%0.36932%0.316SS..Hα-helixtrans-55.8-30.5172.5-68.8-28.5000112.5L126 E127N123-L126 WeakPolarHBondContact O-CB 3.47Å; N123-L126 PolarHBondContact O-N 3.21Å; N123-E127 WeakPolarHBondContact O-CG 3.07Å; N123-E127 PolarHBondContact O-N 3.33Å
124E71.8Confident74.8Confident157 Ų15758 Ų5873%0.73430%0.301SS*.Hα-helixtrans-64.4-44.2179.9-63.6-179.8168.600112.3G122 L126 E127 D128G122-E124 PolarHBondContact O-N 2.91Å; E124-L126 VanDerWaalsContact C-N 3.27Å; E124-L126 PolarHBondContact O-N 3.47Å; E124-E127 PolarHBondContact O-N 2.82Å; E124-D128 PolarHBondContact O-N 3.27Å
125K70.9Confident74.5Confident122 Ų12258 Ų5853%0.5330%0.302SS..Hα-helixtrans-66.2-34.4177.4-66.4-172.4-179.3-178.30111.7F120 G122 D128 L129F120-K125 HydrophobicContact CB-CB 4.2Å; F120-K125 HydrophobicContact CD1-CB 3.88Å; F120-K125 HydrophobicContact CD1-CD 3.36Å; F120-K125 HydrophobicContact CD1-CG 4.27Å; F120-K125 HydrophobicContact CE1-CB 4.38Å; F120-K125 HydrophobicContact CE1-CD 3.79Å; F120-K125 HydrophobicContact CG-CB 3.96Å; F120-K125 HydrophobicContact CG-CD 4.2Å; G122-K125 PolarHBondContact O-N 3.25Å; K125-D128 PolarHBondContact O-N 3.47Å; K125-L129 PolarHBondContact O-N 3.39Å
126L73.8Confident74Confident1 Ų161.7 Ų61.71%0.00532%0.318CS..Hα-helixtrans-65-48.2173.1-175.858.1000110.1L3 S5 A115 G122 N123 E124 D128 L129 Y130L3-L126 HydrophobicContact CB-CD2 3.86Å; L3-L126 HydrophobicContact CD2-CD2 4.48Å; S5-L126 WeakPolarHBondContact OG-CD2 3.3Å; S5-L126 VanDerWaalsContact OG-CG 3.24Å; S5-L126 WeakPolarHBondContact OG-CG 3.37Å; A115-L126 HydrophobicContact CB-CD1 3.61Å; G122-L126 PolarHBondContact O-N 3.43Å; N123-L126 WeakPolarHBondContact O-CB 3.47Å; N123-L126 PolarHBondContact O-N 3.21Å; E124-L126 VanDerWaalsContact C-N 3.27Å; E124-L126 PolarHBondContact O-N 3.47Å; L126-D128 VanDerWaalsContact C-N 3.29Å; L126-D128 PolarHBondContact O-N 2.81Å; L126-L129 WeakPolarHBondContact O-CA 3.48Å; L126-L129 WeakPolarHBondContact O-CB 3.35Å; L126-L129 PolarHBondContact O-N 2.95Å; L126-L129 VanDerWaalsContact O-N 3.08Å; L126-Y130 HydrophobicContact CD1-CD2 3.95Å; L126-Y130 HydrophobicContact CD1-CE2 3.54Å; L126-Y130 HydrophobicContact CD2-CE2 4.17Å; L126-Y130 HydrophobicContact CG-CD2 3.85Å; L126-Y130 HydrophobicContact CG-CE2 3.6Å; L126-Y130 WeakPolarHBondContact O-CD2 3.33Å; L126-Y130 PolarHBondContact O-N 2.98Å
127E75.6Confident73.3Confident50 Ų5057.6 Ų57.623%0.23430%0.297CS..Hα-helixtrans-59-38.2175.1-73.8-166.3-176.600112.9N123 E124 L129 Y130 Q131N123-E127 WeakPolarHBondContact O-CG 3.07Å; N123-E127 PolarHBondContact O-N 3.33Å; E124-E127 PolarHBondContact O-N 2.82Å; E127-L129 VanDerWaalsContact C-N 3.34Å; E127-Y130 WeakPolarHBondContact O-CB 3.41Å; E127-Y130 PolarHBondContact O-N 2.88Å; E127-Q131 WeakPolarHBondContact O-CB 3.2Å; E127-Q131 VanDerWaalsContact O-CG 3.32Å; E127-Q131 WeakPolarHBondContact O-CG 3.39Å; E127-Q131 PolarHBondContact O-N 3.23Å
128D77.4Confident72.7Confident81 Ų8154.8 Ų54.843%0.43328%0.281SS..Hα-helixtrans-63.8-39.8173.9-76.5-9.1000111.8E124 K125 L126 Q131 K132E124-D128 PolarHBondContact O-N 3.27Å; K125-D128 PolarHBondContact O-N 3.47Å; L126-D128 VanDerWaalsContact C-N 3.29Å; L126-D128 PolarHBondContact O-N 2.81Å; D128-Q131 PolarHBondContact O-N 3.44Å; D128-K132 WeakPolarHBondContact O-CB 3.5Å; D128-K132 VanDerWaalsContact O-CG 3.3Å; D128-K132 WeakPolarHBondContact O-CG 3.48Å; D128-K132 PolarHBondContact O-N 2.95Å
129L77Confident72.4Confident7 Ų759.3 Ų59.34%0.03730%0.299CS..Hα-helixtrans-62.7-44.2173.6-175.965.5000110.9L111 V114 K125 L126 E127 K132 T133 L166 T170L111-L129 HydrophobicContact CD2-CD2 4.07Å; L111-L129 HydrophobicContact CD2-CG 4.19Å; V114-L129 HydrophobicContact CG1-CD2 4.38Å; K125-L129 PolarHBondContact O-N 3.39Å; L126-L129 WeakPolarHBondContact O-CA 3.48Å; L126-L129 WeakPolarHBondContact O-CB 3.35Å; L126-L129 PolarHBondContact O-N 2.95Å; L126-L129 VanDerWaalsContact O-N 3.08Å; E127-L129 VanDerWaalsContact C-N 3.34Å; L129-K132 PolarHBondContact O-N 3.22Å; L129-T133 HydrophobicContact CD1-CG2 4.18Å; L129-T133 WeakPolarHBondContact O-CB 3.43Å; L129-T133 PolarHBondContact O-N 2.99Å; L129-T133 PolarHBondContact O-OG1 3.34Å; L129-L166 HydrophobicContact CD1-CD2 3.71Å; L129-T170 HydrophobicContact CD1-CG2 3.62Å
130Y78.3Confident72.4Confident3 Ų361.6 Ų61.61%0.01229%0.294CS..Hα-helixtrans-60.5-43.3174.5-86.3-83.7000112.1S5 N108 L111 L126 E127 K132 T133 A134 W135S5-Y130 VanDerWaalsContact CB-CE2 3.49Å; N108-Y130 VanDerWaalsContact CA-OH 3.29Å; N108-Y130 WeakPolarHBondContact CA-OH 3.45Å; N108-Y130 VanDerWaalsContact CG-OH 3.28Å; N108-Y130 PolarHBondContact OD1-OH 3.34Å; L111-Y130 HydrophobicContact CB-CE1 4.37Å; L111-Y130 HydrophobicContact CB-CE2 4.23Å; L111-Y130 HydrophobicContact CD1-CD1 3.65Å; L111-Y130 HydrophobicContact CD1-CE1 3.35Å; L111-Y130 HydrophobicContact CD1-CE2 4.35Å; L111-Y130 HydrophobicContact CD1-CG 4.25Å; L111-Y130 HydrophobicContact CG-CE1 4.49Å; L126-Y130 HydrophobicContact CD1-CD2 3.95Å; L126-Y130 HydrophobicContact CD1-CE2 3.54Å; L126-Y130 HydrophobicContact CD2-CE2 4.17Å; L126-Y130 HydrophobicContact CG-CD2 3.85Å; L126-Y130 HydrophobicContact CG-CE2 3.6Å; L126-Y130 WeakPolarHBondContact O-CD2 3.33Å; L126-Y130 PolarHBondContact O-N 2.98Å; E127-Y130 WeakPolarHBondContact O-CB 3.41Å; E127-Y130 PolarHBondContact O-N 2.88Å; Y130-K132 VanDerWaalsContact C-N 3.35Å; Y130-K132 PolarHBondContact O-N 3.04Å; Y130-T133 PolarHBondContact O-N 2.88Å; Y130-A134 HydrophobicContact CD1-CB 4.06Å; Y130-A134 PolarHBondContact O-N 2.9Å; Y130-A134 VanDerWaalsContact O-N 3.1Å; Y130-W135 HydrophobicContact CG-CZ2 4.27Å; Y130-W135 PolarHBondContact O-N 3.24Å
131Q75.3Confident72.2Confident94 Ų9465.1 Ų65.144%0.43931%0.307SS..Hα-helixtrans-60.6-43.7176.9-77.5-179.640.400112.1E127 D128 W135 H136E127-Q131 WeakPolarHBondContact O-CB 3.2Å; E127-Q131 VanDerWaalsContact O-CG 3.32Å; E127-Q131 WeakPolarHBondContact O-CG 3.39Å; E127-Q131 PolarHBondContact O-N 3.23Å; D128-Q131 PolarHBondContact O-N 3.44Å; Q131-W135 HydrophobicContact CB-CE3 4.23Å; Q131-W135 HydrophobicContact CG-CD2 4.47Å; Q131-W135 HydrophobicContact CG-CE3 3.34Å; Q131-W135 HydrophobicContact CG-CZ3 3.4Å; Q131-W135 VanDerWaalsContact CG-CZ3 3.4Å; Q131-H136 PolarHBondContact O-N 3.2Å
132K73.9Confident72.1Confident99 Ų9962.8 Ų62.843%0.4330%0.301SS..Hα-helixtrans-74.5-31.7-178.3-71.2178-177.3-174.10113.2D128 L129 Y130 C164 L166D128-K132 WeakPolarHBondContact O-CB 3.5Å; D128-K132 VanDerWaalsContact O-CG 3.3Å; D128-K132 WeakPolarHBondContact O-CG 3.48Å; D128-K132 PolarHBondContact O-N 2.95Å; L129-K132 PolarHBondContact O-N 3.22Å; Y130-K132 VanDerWaalsContact C-N 3.35Å; Y130-K132 PolarHBondContact O-N 3.04Å; K132-C164 PolarHBondContact O-SG 3.18Å; K132-L166 HydrophobicContact CB-CD2 3.75Å; K132-L166 HydrophobicContact CB-CG 4.38Å; K132-L166 HydrophobicContact CD-CD2 3.88Å; K132-L166 HydrophobicContact CG-CD2 4.48Å
133T72.3Confident72Confident0 Ų066.1 Ų66.10%031%0.311CS..THydrogen-bonded Turntrans-103-87.2-176.856.90000111.3L129 Y130 W135 H136 F137 L166 L174L129-T133 HydrophobicContact CD1-CG2 4.18Å; L129-T133 WeakPolarHBondContact O-CB 3.43Å; L129-T133 PolarHBondContact O-N 2.99Å; L129-T133 PolarHBondContact O-OG1 3.34Å; Y130-T133 PolarHBondContact O-N 2.88Å; T133-W135 PolarHBondContact O-N 2.98Å; T133-H136 PolarHBondContact O-N 3.02Å; T133-F137 WeakPolarHBondContact O-CD2 3.4Å; T133-F137 PolarHBondContact O-N 3.31Å; T133-L166 HydrophobicContact CG2-CD1 3.49Å; T133-L166 VanDerWaalsContact CG2-CD1 3.49Å; T133-L166 HydrophobicContact CG2-CD2 4.09Å; T133-L166 HydrophobicContact CG2-CG 4.38Å; T133-L174 HydrophobicContact CG2-CD2 4.01Å
134A72.7Confident71.7Confident3 Ų365.4 Ų65.43%0.02530%0.304CS..Hα-helixtrans-59.8-50.2-16900000112.8I107 L111 Y130 H136 F137 E138I107-A134 HydrophobicContact CG2-CB 4.49Å; L111-A134 HydrophobicContact CD1-CB 4.09Å; Y130-A134 HydrophobicContact CD1-CB 4.06Å; Y130-A134 PolarHBondContact O-N 2.9Å; Y130-A134 VanDerWaalsContact O-N 3.1Å; A134-H136 VanDerWaalsContact C-N 3.33Å; A134-H136 PolarHBondContact O-N 3.44Å; A134-F137 PolarHBondContact O-N 3.16Å; A134-E138 WeakPolarHBondContact O-CG 3.44Å; A134-E138 PolarHBondContact O-N 3.49Å
135W75.3Confident71.3Confident2 Ų260.3 Ų60.31%0.00828%0.284CS..Hα-helixtrans-75.7-22.6-175.2-58.5-17.6000113.2R6 F7 N9 Y130 Q131 T133 K139R6-W135 HydrophobicContact CG-CH2 4Å; R6-W135 HydrophobicContact CG-CZ2 3.64Å; F7-W135 PolarHBondContact O-NE1 3.16Å; N9-W135 HydrophobicContact CB-CB 3.97Å; N9-W135 HydrophobicContact CB-CD2 3.64Å; N9-W135 HydrophobicContact CB-CE3 3.89Å; N9-W135 HydrophobicContact CB-CG 3.62Å; N9-W135 VanDerWaalsContact OD1-CE3 3.3Å; Y130-W135 HydrophobicContact CG-CZ2 4.27Å; Y130-W135 PolarHBondContact O-N 3.24Å; Q131-W135 HydrophobicContact CB-CE3 4.23Å; Q131-W135 HydrophobicContact CG-CD2 4.47Å; Q131-W135 HydrophobicContact CG-CE3 3.34Å; Q131-W135 HydrophobicContact CG-CZ3 3.4Å; Q131-W135 VanDerWaalsContact CG-CZ3 3.4Å; T133-W135 PolarHBondContact O-N 2.98Å; W135-K139 WeakPolarHBondContact O-CB 3.31Å; W135-K139 VanDerWaalsContact O-CG 3.32Å; W135-K139 WeakPolarHBondContact O-CG 3.18Å; W135-K139 PolarHBondContact O-N 3.25Å
136H71.3Confident71.2Confident76 Ų7655.9 Ų55.935%0.35227%0.267SS..Hα-helixtrans-64.2-46.1171.6-17274.9000110.3Q131 T133 A134 K139 K140Q131-H136 PolarHBondContact O-N 3.2Å; T133-H136 PolarHBondContact O-N 3.02Å; A134-H136 VanDerWaalsContact C-N 3.33Å; A134-H136 PolarHBondContact O-N 3.44Å; H136-K139 PolarHBondContact O-N 2.92Å; H136-K140 PolarHBondContact O-N 3.49Å
137F68.7Low71Confident1 Ų155.9 Ų55.90%0.00427%0.267CS..Hα-helixtrans-68-38.6176.9-67.5-55000112.8T133 A134 K139 K140 Y141 I150 F151 V160 F161T133-F137 WeakPolarHBondContact O-CD2 3.4Å; T133-F137 PolarHBondContact O-N 3.31Å; A134-F137 PolarHBondContact O-N 3.16Å; F137-K139 VanDerWaalsContact C-N 3.35Å; F137-K139 PolarHBondContact O-N 3.45Å; F137-K140 PolarHBondContact O-N 2.86Å; F137-Y141 PolarHBondContact O-N 2.9Å; F137-I150 HydrophobicContact CB-CD1 3.75Å; F137-I150 HydrophobicContact CD1-CD1 3.69Å; F137-I150 HydrophobicContact CD1-CG2 3.84Å; F137-I150 HydrophobicContact CD2-CG2 4.17Å; F137-I150 HydrophobicContact CE1-CG2 3.84Å; F137-I150 HydrophobicContact CE2-CG2 4.18Å; F137-I150 HydrophobicContact CG-CD1 3.89Å; F137-I150 HydrophobicContact CG-CG2 4.01Å; F137-I150 HydrophobicContact CZ-CG2 4.03Å; F137-F151 HydrophobicContact CD2-CE2 4.18Å; F137-F151 HydrophobicContact CE2-CE2 4.42Å; F137-V160 HydrophobicContact CE1-CG1 3.62Å; F137-V160 HydrophobicContact CZ-CG1 3.85Å; F137-F161 HydrophobicContact CE2-CD1 4.27Å; F137-F161 AromaticContact CE2-CE1 3.99Å; F137-F161 HydrophobicContact CE2-CE1 3.99Å; F137-F161 HydrophobicContact CZ-CD1 4.35Å; F137-F161 HydrophobicContact CZ-CE1 4.43Å
138E68.5Low70.9Confident26 Ų2656.4 Ų56.412%0.12127%0.268CS..Hα-helixtrans-60.8-43.3173.8-72.7-179.7168.700112Y8 A134 N142 A147Y8-E138 WeakPolarHBondContact CD1-OE1 3.46Å; A134-E138 WeakPolarHBondContact O-CG 3.44Å; A134-E138 PolarHBondContact O-N 3.49Å; E138-N142 VanDerWaalsContact O-CA 3.31Å; E138-N142 WeakPolarHBondContact O-CA 3.4Å; E138-N142 PolarHBondContact O-N 3.14Å; E138-A147 HydrophobicContact CG-CB 4.4Å
139K70.3Confident70.8Confident140 Ų14055.6 Ų55.661%0.60926%0.264SS*.Hα-helixtrans-66.1-39.9177.5-77.1179-178.11770112.6N9 W135 H136 F137N9-K139 WeakPolarHBondContact ND2-CE 3.32Å; W135-K139 WeakPolarHBondContact O-CB 3.31Å; W135-K139 VanDerWaalsContact O-CG 3.32Å; W135-K139 WeakPolarHBondContact O-CG 3.18Å; W135-K139 PolarHBondContact O-N 3.25Å; H136-K139 PolarHBondContact O-N 2.92Å; F137-K139 VanDerWaalsContact C-N 3.35Å; F137-K139 PolarHBondContact O-N 3.45Å
140K73.3Confident70.7Confident102 Ų10255.5 Ų55.544%0.44326%0.263SS..Hα-helixtrans-65.7-38.9-177.9-170.8174.6-176.3179.30111.9H136 F137 E163H136-K140 PolarHBondContact O-N 3.49Å; F137-K140 PolarHBondContact O-N 2.86Å; K140-E163 VanDerWaalsContact NZ-CD 3.31Å; K140-E163 IonicContact NZ-OE1 3.99Å; K140-E163 PolarHBondContact NZ-OE1 3.27Å; K140-E163 VanDerWaalsContact NZ-OE1 3.13Å; K140-E163 IonicContact NZ-OE2 2.67Å; K140-E163 PolarHBondContact NZ-OE2 2.77Å
141Y66.4Low70.5Confident110 Ų11055.3 Ų55.343%0.43126%0.262SS..Hα-helixtrans-104.4-1.3-175.2-70-86.8000114.5F137 N143 V146 I150F137-Y141 PolarHBondContact O-N 2.9Å; Y141-N143 PolarHBondContact O-N 3.26Å; Y141-V146 HydrophobicContact CD1-CG1 4.1Å; Y141-V146 HydrophobicContact CD2-CG1 3.99Å; Y141-V146 HydrophobicContact CG-CB 4.46Å; Y141-V146 HydrophobicContact CG-CG1 3.65Å; Y141-I150 HydrophobicContact CD2-CD1 3.46Å; Y141-I150 VanDerWaalsContact CD2-CD1 3.46Å; Y141-I150 HydrophobicContact CE2-CD1 3.4Å; Y141-I150 HydrophobicContact CE2-CG1 4.37Å; Y141-I150 HydrophobicContact CG-CD1 4.39Å
142N62.6Low70.5Confident144 Ų14455.7 Ų55.777%0.7726%0.262SS*.THydrogen-bonded Turntrans48.826.1-179.8-158.439.7000114.3E138E138-N142 VanDerWaalsContact O-CA 3.31Å; E138-N142 WeakPolarHBondContact O-CA 3.4Å; E138-N142 PolarHBondContact O-N 3.14Å
143N65.8Low70.5Confident102 Ų10256.4 Ų56.455%0.54527%0.267SS..  trans-137.5119.5-174.8-83.4-29.6000109.4Y141 T145 V146Y141-N143 PolarHBondContact O-N 3.26Å; N143-T145 PolarHBondContact O-N 3.43Å; N143-T145 VanDerWaalsContact O-N 3.11Å; N143-V146 HydrophobicContact CB-CB 4.3Å; N143-V146 HydrophobicContact CB-CG2 3.45Å; N143-V146 VanDerWaalsContact CB-CG2 3.45Å; N143-V146 PolarHBondContact O-N 3.42Å
144K64.6Low70.5Confident53 Ų5356.4 Ų56.423%0.2327%0.267CS..THydrogen-bonded Turntrans-56.2-26.2-180-76145.4148.3-179.90113.5Y8 E10 D17 R100Y8-K144 HydrophobicContact CD1-CB 4.38Å; Y8-K144 HydrophobicContact CD1-CG 3.92Å; Y8-K144 HydrophobicContact CE1-CB 3.84Å; Y8-K144 HydrophobicContact CE1-CG 3.83Å; E10-K144 IonicContact OE2-NZ 2.74Å; D17-K144 IonicContact OD2-NZ 4Å; D17-K144 PolarHBondContact OD2-NZ 2.77Å; R100-K144 VanDerWaalsContact NH2-CE 3.28Å
145T63.7Low70.5Confident51 Ų5158.2 Ų58.231%0.31328%0.278SS..THydrogen-bonded Turntrans-84.9-22.5-176.9-45.40000113.7K103 N143 A147 Y148K103-T145 HydrophobicContact CD-CG2 3.7Å; N143-T145 PolarHBondContact O-N 3.43Å; N143-T145 VanDerWaalsContact O-N 3.11Å; T145-A147 VanDerWaalsContact C-N 3.27Å; T145-A147 PolarHBondContact O-N 3.3Å; T145-Y148 PolarHBondContact O-N 3.27Å
146V68Low70.4Confident28 Ų2862.8 Ų62.817%0.1731%0.306CS..Hα-helixtrans-73.4-20.8-165.9178.20000112.5Y141 N143 Y148 D149 I150Y141-V146 HydrophobicContact CD1-CG1 4.1Å; Y141-V146 HydrophobicContact CD2-CG1 3.99Å; Y141-V146 HydrophobicContact CG-CB 4.46Å; Y141-V146 HydrophobicContact CG-CG1 3.65Å; N143-V146 HydrophobicContact CB-CB 4.3Å; N143-V146 HydrophobicContact CB-CG2 3.45Å; N143-V146 VanDerWaalsContact CB-CG2 3.45Å; N143-V146 PolarHBondContact O-N 3.42Å; V146-Y148 PolarHBondContact O-N 3.16Å; V146-D149 PolarHBondContact O-N 2.84Å; V146-D149 VanDerWaalsContact O-N 3.16Å; V146-I150 HydrophobicContact CG1-CD1 3.6Å; V146-I150 HydrophobicContact CG1-CG1 3.91Å; V146-I150 WeakPolarHBondContact O-CG1 3.48Å; V146-I150 PolarHBondContact O-N 3.3Å
147A69.9Low70.2Confident1 Ų163.6 Ų63.61%0.00831%0.313CS..Hα-helixtrans-56.4-39.417500000111.8I107 E138 T145 F151I107-A147 HydrophobicContact CD1-CB 3.7Å; E138-A147 HydrophobicContact CG-CB 4.4Å; T145-A147 VanDerWaalsContact C-N 3.27Å; T145-A147 PolarHBondContact O-N 3.3Å; A147-F151 WeakPolarHBondContact O-CB 3.49Å; A147-F151 WeakPolarHBondContact O-CD2 3.4Å; A147-F151 PolarHBondContact O-N 2.86Å
148Y74.6Confident70.2Confident62 Ų6266.6 Ų66.624%0.24333%0.333CS..Hα-helixtrans-69.2-41.3179-177.3-95000112K103 A106 I107 T145 V146 I150 F151 K152 L182K103-Y148 HydrophobicContact CB-CD2 4.14Å; K103-Y148 HydrophobicContact CB-CG 3.93Å; K103-Y148 HydrophobicContact CD-CD1 4.05Å; K103-Y148 HydrophobicContact CD-CG 4.17Å; K103-Y148 HydrophobicContact CG-CD1 3.91Å; K103-Y148 HydrophobicContact CG-CD2 4.2Å; K103-Y148 HydrophobicContact CG-CE1 4.43Å; K103-Y148 HydrophobicContact CG-CG 3.78Å; A106-Y148 HydrophobicContact CB-CE2 4.26Å; I107-Y148 HydrophobicContact CG1-CD2 4.39Å; T145-Y148 PolarHBondContact O-N 3.27Å; V146-Y148 PolarHBondContact O-N 3.16Å; Y148-I150 VanDerWaalsContact C-N 3.32Å; Y148-I150 PolarHBondContact O-N 3.48Å; Y148-F151 PolarHBondContact O-N 3.3Å; Y148-K152 WeakPolarHBondContact O-CB 3.38Å; Y148-K152 PolarHBondContact O-N 3.27Å; Y148-L182 HydrophobicContact CD2-CD2 4.34Å; Y148-L182 HydrophobicContact CE2-CD2 3.88Å; Y148-L182 HydrophobicContact CE2-CG 4.32Å
149D75.1Confident70.1Confident64 Ų6469.7 Ų69.734%0.34235%0.354SS..Hα-helixtrans-67.4-36.6-179.6-64.1-32.6000111.2V146 K152 Q153V146-D149 PolarHBondContact O-N 2.84Å; V146-D149 VanDerWaalsContact O-N 3.16Å; D149-K152 WeakPolarHBondContact O-CB 3.42Å; D149-K152 PolarHBondContact O-N 3.34Å; D149-Q153 WeakPolarHBondContact O-CB 3.49Å; D149-Q153 VanDerWaalsContact O-CG 3.31Å; D149-Q153 WeakPolarHBondContact O-CG 3.46Å; D149-Q153 PolarHBondContact O-N 3.45Å
150I74.9Confident69.9Low4 Ų464.9 Ų64.92%0.02134%0.336CS..Hα-helixtrans-67-44.7172.8-70.4166.7000111.1F137 Y141 V146 Y148 K152 Q153 S154 V160F137-I150 HydrophobicContact CB-CD1 3.75Å; F137-I150 HydrophobicContact CD1-CD1 3.69Å; F137-I150 HydrophobicContact CD1-CG2 3.84Å; F137-I150 HydrophobicContact CD2-CG2 4.17Å; F137-I150 HydrophobicContact CE1-CG2 3.84Å; F137-I150 HydrophobicContact CE2-CG2 4.18Å; F137-I150 HydrophobicContact CG-CD1 3.89Å; F137-I150 HydrophobicContact CG-CG2 4.01Å; F137-I150 HydrophobicContact CZ-CG2 4.03Å; Y141-I150 HydrophobicContact CD2-CD1 3.46Å; Y141-I150 VanDerWaalsContact CD2-CD1 3.46Å; Y141-I150 HydrophobicContact CE2-CD1 3.4Å; Y141-I150 HydrophobicContact CE2-CG1 4.37Å; Y141-I150 HydrophobicContact CG-CD1 4.39Å; V146-I150 HydrophobicContact CG1-CD1 3.6Å; V146-I150 HydrophobicContact CG1-CG1 3.91Å; V146-I150 WeakPolarHBondContact O-CG1 3.48Å; V146-I150 PolarHBondContact O-N 3.3Å; Y148-I150 VanDerWaalsContact C-N 3.32Å; Y148-I150 PolarHBondContact O-N 3.48Å; I150-K152 PolarHBondContact O-N 3.46Å; I150-Q153 CarbonylContact O-C 3.57Å; I150-Q153 PolarHBondContact O-N 2.57Å; I150-Q153 VanDerWaalsContact O-N 3.16Å; I150-S154 WeakPolarHBondContact O-CB 3.43Å; I150-S154 PolarHBondContact O-N 3.35Å; I150-V160 HydrophobicContact CG2-CG1 3.67Å
151F74.5Confident69.3Low0 Ų060.1 Ų60.10%032%0.315CS..Hα-helixtrans-61.1-34.6175.3-87.6-118.3000111.1I107 F137 A147 Y148 S154 F161 L174 I178 L182I107-F151 HydrophobicContact CG2-CZ 4.38Å; F137-F151 HydrophobicContact CD2-CE2 4.18Å; F137-F151 HydrophobicContact CE2-CE2 4.42Å; A147-F151 WeakPolarHBondContact O-CB 3.49Å; A147-F151 WeakPolarHBondContact O-CD2 3.4Å; A147-F151 PolarHBondContact O-N 2.86Å; Y148-F151 PolarHBondContact O-N 3.3Å; F151-S154 WeakPolarHBondContact CA-OG 3.29Å; F151-S154 PolarHBondContact O-N 3.03Å; F151-S154 PolarHBondContact O-OG 3.29Å; F151-F161 HydrophobicContact CE1-CZ 4.43Å; F151-F161 HydrophobicContact CZ-CE1 4.46Å; F151-L174 HydrophobicContact CE1-CD1 4.29Å; F151-I178 HydrophobicContact CD1-CD1 3.47Å; F151-I178 VanDerWaalsContact CD1-CD1 3.47Å; F151-I178 HydrophobicContact CD1-CG1 3.88Å; F151-I178 HydrophobicContact CE1-CD1 3.71Å; F151-I178 HydrophobicContact CE1-CG1 4.27Å; F151-I178 HydrophobicContact CG-CD1 4.4Å; F151-L182 HydrophobicContact CB-CD2 4.03Å
152K75.2Confident69Low102 Ų10259.8 Ų59.844%0.44332%0.321SS..Hα-helixtrans-68.9-43.1173.9-170.5177.6179.7-179.20112.1Y148 D149 I150 S154 V155 L182Y148-K152 WeakPolarHBondContact O-CB 3.38Å; Y148-K152 PolarHBondContact O-N 3.27Å; D149-K152 WeakPolarHBondContact O-CB 3.42Å; D149-K152 PolarHBondContact O-N 3.34Å; I150-K152 PolarHBondContact O-N 3.46Å; K152-S154 VanDerWaalsContact C-N 3.26Å; K152-S154 PolarHBondContact O-N 3.49Å; K152-V155 WeakPolarHBondContact O-CB 3.41Å; K152-V155 PolarHBondContact O-N 2.89Å; K152-L182 HydrophobicContact CB-CD2 4.04Å
153Q72.8Confident69Low113 Ų11358.2 Ų58.253%0.52831%0.309SS..Hα-helixtrans-64-33.4174.3-73.8174.24.200111.8D149 I150 V155 T156 D157D149-Q153 WeakPolarHBondContact O-CB 3.49Å; D149-Q153 VanDerWaalsContact O-CG 3.31Å; D149-Q153 WeakPolarHBondContact O-CG 3.46Å; D149-Q153 PolarHBondContact O-N 3.45Å; I150-Q153 CarbonylContact O-C 3.57Å; I150-Q153 PolarHBondContact O-N 2.57Å; I150-Q153 VanDerWaalsContact O-N 3.16Å; Q153-V155 PolarHBondContact O-N 3.47Å; Q153-V155 VanDerWaalsContact O-N 3.14Å; Q153-T156 WeakPolarHBondContact O-CA 3.47Å; Q153-T156 WeakPolarHBondContact O-CB 3.36Å; Q153-T156 PolarHBondContact O-N 2.83Å; Q153-D157 PolarHBondContact O-N 3.41Å
154S72Confident68.6Low1 Ų153.9 Ų53.91%0.00729%0.287CS..Hα-helixtrans-65.7-16.2178.779.60000114I150 F151 K152 T156 D157 F161I150-S154 WeakPolarHBondContact O-CB 3.43Å; I150-S154 PolarHBondContact O-N 3.35Å; F151-S154 WeakPolarHBondContact CA-OG 3.29Å; F151-S154 PolarHBondContact O-N 3.03Å; F151-S154 PolarHBondContact O-OG 3.29Å; K152-S154 VanDerWaalsContact C-N 3.26Å; K152-S154 PolarHBondContact O-N 3.49Å; S154-T156 VanDerWaalsContact C-N 3.34Å; S154-D157 WeakPolarHBondContact CA-O 3.48Å; S154-F161 VanDerWaalsContact OG-CE2 3.28Å; S154-F161 WeakPolarHBondContact OG-CE2 3.34Å
155V74.2Confident68.2Low40 Ų4058.4 Ų58.424%0.24231%0.313CS..Hα-helixtrans-69.2-37.1169.9-178.70000110.6K152 Q153 I178 L182 V183K152-V155 WeakPolarHBondContact O-CB 3.41Å; K152-V155 PolarHBondContact O-N 2.89Å; Q153-V155 PolarHBondContact O-N 3.47Å; Q153-V155 VanDerWaalsContact O-N 3.14Å; V155-I178 HydrophobicContact CG2-CG2 3.65Å; V155-L182 HydrophobicContact CG2-CB 4.16Å; V155-V183 HydrophobicContact CG1-CG2 4.33Å
156T71.3Confident68.2Low99 Ų9957.2 Ų57.261%0.60731%0.305SS*.Hα-helixtrans-84.3-47179.1-540000111.1Q153 S154Q153-T156 WeakPolarHBondContact O-CA 3.47Å; Q153-T156 WeakPolarHBondContact O-CB 3.36Å; Q153-T156 PolarHBondContact O-N 2.83Å; S154-T156 VanDerWaalsContact C-N 3.34Å
157D67.6Low68.3Low92 Ų9261.7 Ų61.749%0.49232%0.324SS..  trans-117.9101.3-176.4-65.1-41000110.7Q153 S154 T159Q153-D157 PolarHBondContact O-N 3.41Å; S154-D157 WeakPolarHBondContact CA-O 3.48Å; D157-T159 PolarHBondContact O-N 2.85Å; D157-T159 VanDerWaalsContact O-N 3.09Å
158P69.5Low68.5Low64 Ų6466.2 Ų66.242%0.41635%0.353SS..G310 helixtrans-66.9-8.8-179.9-20.332.3000114.7V160P158-V160 VanDerWaalsContact C-N 3.31Å; P158-V160 PolarHBondContact O-N 2.91Å
159T66.8Low68.5Low92 Ų9269.7 Ų69.756%0.56437%0.371SS*.G310 helixtrans-73.9-19.7-173.9530000113.3D157 F161 D162D157-T159 PolarHBondContact O-N 2.85Å; D157-T159 VanDerWaalsContact O-N 3.09Å; T159-F161 PolarHBondContact O-N 3.18Å; T159-F161 VanDerWaalsContact O-N 3.17Å; T159-D162 WeakPolarHBondContact CA-OD2 3.42Å; T159-D162 WeakPolarHBondContact O-CB 3.35Å; T159-D162 PolarHBondContact O-N 2.95Å
160V65.2Low68.5Low39 Ų3966.9 Ų66.924%0.23636%0.357CS..G310 helixtrans-64.8-24.8-177.5-170.90000112F137 I150 P158F137-V160 HydrophobicContact CE1-CG1 3.62Å; F137-V160 HydrophobicContact CZ-CG1 3.85Å; I150-V160 HydrophobicContact CG2-CG1 3.67Å; P158-V160 VanDerWaalsContact C-N 3.31Å; P158-V160 PolarHBondContact O-N 2.91Å
161F60.5Low68.5Low1 Ų168.8 Ų68.80%0.00437%0.365CS..G310 helixtrans-84.8-6.7175.1-69.7-64.7000114.2F137 F151 S154 T159 E163 C164 K171 L174 L175 I178F137-F161 HydrophobicContact CE2-CD1 4.27Å; F137-F161 AromaticContact CE2-CE1 3.99Å; F137-F161 HydrophobicContact CE2-CE1 3.99Å; F137-F161 HydrophobicContact CZ-CD1 4.35Å; F137-F161 HydrophobicContact CZ-CE1 4.43Å; F151-F161 HydrophobicContact CE1-CZ 4.43Å; F151-F161 HydrophobicContact CZ-CE1 4.46Å; S154-F161 VanDerWaalsContact OG-CE2 3.28Å; S154-F161 WeakPolarHBondContact OG-CE2 3.34Å; T159-F161 PolarHBondContact O-N 3.18Å; T159-F161 VanDerWaalsContact O-N 3.17Å; F161-E163 PolarHBondContact O-N 3.29Å; F161-C164 WeakPolarHBondContact O-CB 3.15Å; F161-C164 PolarHBondContact O-N 2.66Å; F161-K171 HydrophobicContact CB-CD 4.44Å; F161-K171 HydrophobicContact CB-CG 4.45Å; F161-L174 HydrophobicContact CD1-CD2 4.27Å; F161-L174 HydrophobicContact CE1-CD2 3.75Å; F161-L174 HydrophobicContact CZ-CD2 3.96Å; F161-L175 HydrophobicContact CD2-CD2 3.79Å; F161-L175 HydrophobicContact CD2-CG 4.48Å; F161-L175 HydrophobicContact CE2-CD2 3.84Å; F161-I178 HydrophobicContact CE2-CD1 3.79Å; F161-I178 HydrophobicContact CZ-CD1 3.53Å
162D60.8Low68.8Low104 Ų10475.6 Ų75.656%0.55640%0.397SS*.G310 helixtrans-70.7-21.2177.4-69.2-36.5000112.4T159 C164 K171T159-D162 WeakPolarHBondContact CA-OD2 3.42Å; T159-D162 WeakPolarHBondContact O-CB 3.35Å; T159-D162 PolarHBondContact O-N 2.95Å; D162-C164 PolarHBondContact O-N 3.36Å; D162-K171 IonicContact OD1-NZ 3.66Å; D162-K171 PolarHBondContact OD1-NZ 3.27Å
163E61.6Low69.1Low111 Ų11172.3 Ų72.352%0.51939%0.385SS..G310 helixtrans-73.3-19.8170.2-64.1-175.6177.400112.3K140 F161K140-E163 VanDerWaalsContact NZ-CD 3.31Å; K140-E163 IonicContact NZ-OE1 3.99Å; K140-E163 PolarHBondContact NZ-OE1 3.27Å; K140-E163 VanDerWaalsContact NZ-OE1 3.13Å; K140-E163 IonicContact NZ-OE2 2.67Å; K140-E163 PolarHBondContact NZ-OE2 2.77Å; F161-E163 PolarHBondContact O-N 3.29Å
164C58.8Low69.5Low11 Ų1166.9 Ų66.97%0.07436%0.36CS..SBendtrans-93107.3-179.7-63.50000109.4K132 F161 D162 L166K132-C164 PolarHBondContact O-SG 3.18Å; F161-C164 WeakPolarHBondContact O-CB 3.15Å; F161-C164 PolarHBondContact O-N 2.66Å; D162-C164 PolarHBondContact O-N 3.36Å; C164-L166 HydrophobicContact CB-CD1 3.68Å; C164-L166 HydrophobicContact CB-CG 4.03Å; C164-L166 PolarHBondContact O-N 2.74Å
165N56.5Low69.8Low148 Ų14868.3 Ų68.379%0.79137%0.367SS*.  trans-63.565171.6-73.6-34.1000112.4
166L63.7Low70.2Confident25 Ų2569.2 Ų69.213%0.13138%0.375CS..  trans-96.4145.5175-67.9160.8000108.6L129 K132 T133 C164 T170L129-L166 HydrophobicContact CD1-CD2 3.71Å; K132-L166 HydrophobicContact CB-CD2 3.75Å; K132-L166 HydrophobicContact CB-CG 4.38Å; K132-L166 HydrophobicContact CD-CD2 3.88Å; K132-L166 HydrophobicContact CG-CD2 4.48Å; T133-L166 HydrophobicContact CG2-CD1 3.49Å; T133-L166 VanDerWaalsContact CG2-CD1 3.49Å; T133-L166 HydrophobicContact CG2-CD2 4.09Å; T133-L166 HydrophobicContact CG2-CG 4.38Å; C164-L166 HydrophobicContact CB-CD1 3.68Å; C164-L166 HydrophobicContact CB-CG 4.03Å; C164-L166 PolarHBondContact O-N 2.74Å; L166-T170 HydrophobicContact CD2-CG2 4.28Å
167E69.1Low70.7Confident122 Ų12264.8 Ų64.857%0.5735%0.347SS*.  trans-58139.8172.2-69.4178.6165.200109.4E169 T170 K171E167-E169 PolarHBondContact O-N 3.07Å; E167-E169 VanDerWaalsContact O-N 3.16Å; E167-T170 WeakPolarHBondContact O-CA 3.22Å; E167-T170 WeakPolarHBondContact O-CB 3.29Å; E167-T170 PolarHBondContact O-N 2.99Å; E167-K171 PolarHBondContact O-N 3.07Å
168P74.1Confident71.3Confident96 Ų9660.4 Ų60.462%0.62332%0.324SS*.Hα-helixtrans-56.4-36.1-175.621.9-32.6000111.7T170 K171 E172P168-T170 PolarHBondContact O-N 2.98Å; P168-K171 PolarHBondContact O-N 3.01Å; P168-E172 PolarHBondContact O-N 3.34Å
169E74.6Confident71.7Confident135 Ų13563 Ų6363%0.63133%0.329SS*.Hα-helixtrans-60.8-44.2174.8-61.1-172.417200112.1E167 K171 E172 V173E167-E169 PolarHBondContact O-N 3.07Å; E167-E169 VanDerWaalsContact O-N 3.16Å; E169-K171 VanDerWaalsContact C-N 3.32Å; E169-K171 PolarHBondContact O-N 2.98Å; E169-E172 PolarHBondContact O-N 3.49Å; E169-V173 VanDerWaalsContact O-CG2 3.28Å; E169-V173 WeakPolarHBondContact O-CG2 3.1Å; E169-V173 PolarHBondContact O-N 2.67Å; E169-V173 VanDerWaalsContact O-N 3.1Å
170T75.7Confident72.3Confident5 Ų567.9 Ų67.93%0.03134%0.337CS..Hα-helixtrans-65.4-39.2177-60.80000110.8L118 L129 L166 E167 P168 L174L118-T170 HydrophobicContact CD1-CG2 3.81Å; L118-T170 WeakPolarHBondContact CD1-OG1 2.91Å; L129-T170 HydrophobicContact CD1-CG2 3.62Å; L166-T170 HydrophobicContact CD2-CG2 4.28Å; E167-T170 WeakPolarHBondContact O-CA 3.22Å; E167-T170 WeakPolarHBondContact O-CB 3.29Å; E167-T170 PolarHBondContact O-N 2.99Å; P168-T170 PolarHBondContact O-N 2.98Å; T170-L174 WeakPolarHBondContact O-CB 3.36Å; T170-L174 PolarHBondContact O-N 3.32Å
171K74.6Confident72.6Confident45 Ų4571.4 Ų71.420%0.19635%0.349CS..Hα-helixtrans-64.7-44.2179.7-171-176.8179.1-169.50111.8F161 D162 E167 P168 E169 L174 L175F161-K171 HydrophobicContact CB-CD 4.44Å; F161-K171 HydrophobicContact CB-CG 4.45Å; D162-K171 IonicContact OD1-NZ 3.66Å; D162-K171 PolarHBondContact OD1-NZ 3.27Å; E167-K171 PolarHBondContact O-N 3.07Å; P168-K171 PolarHBondContact O-N 3.01Å; E169-K171 VanDerWaalsContact C-N 3.32Å; E169-K171 PolarHBondContact O-N 2.98Å; K171-L174 PolarHBondContact O-N 3.41Å; K171-L175 HydrophobicContact CG-CD1 4.13Å; K171-L175 WeakPolarHBondContact O-CB 3.39Å; K171-L175 VanDerWaalsContact O-CG 3.29Å; K171-L175 WeakPolarHBondContact O-CG 3.45Å; K171-L175 PolarHBondContact O-N 3.5Å
172E80.3Confident73.1Confident143 Ų14371.9 Ų71.967%0.66835%0.352SS*.Hα-helixtrans-67.3-44178.7-72.2-175.4177.400112.3P168 E169 L174 L175 S176P168-E172 PolarHBondContact O-N 3.34Å; E169-E172 PolarHBondContact O-N 3.49Å; E172-L174 VanDerWaalsContact C-N 3.31Å; E172-L174 PolarHBondContact O-N 3.43Å; E172-L175 PolarHBondContact O-N 3.25Å; E172-S176 WeakPolarHBondContact O-CB 3.25Å; E172-S176 PolarHBondContact O-N 2.85Å; E172-S176 PolarHBondContact O-OG 2.98Å
173V82Confident73.4Confident32 Ų3270.7 Ų70.719%0.19435%0.348CS..Hα-helixtrans-63.6-40175.3176.40000110.4V114 I117 E169 S176 N177V114-V173 HydrophobicContact CG1-CG1 4.12Å; V114-V173 HydrophobicContact CG2-CG1 4.39Å; I117-V173 HydrophobicContact CB-CG1 4.2Å; I117-V173 HydrophobicContact CD1-CG1 4.13Å; I117-V173 HydrophobicContact CG2-CG1 3.82Å; I117-V173 HydrophobicContact CG2-CG2 4.49Å; E169-V173 VanDerWaalsContact O-CG2 3.28Å; E169-V173 WeakPolarHBondContact O-CG2 3.1Å; E169-V173 PolarHBondContact O-N 2.67Å; E169-V173 VanDerWaalsContact O-N 3.1Å; V173-S176 WeakPolarHBondContact CA-OG 3.31Å; V173-S176 PolarHBondContact O-OG 3.19Å; V173-N177 WeakPolarHBondContact CG1-ND2 3.21Å; V173-N177 WeakPolarHBondContact O-CB 3.35Å; V173-N177 PolarHBondContact O-N 2.92Å; V173-N177 VanDerWaalsContact O-N 3.1Å; V173-N177 PolarHBondContact O-ND2 3.32Å
174L80.4Confident73.6Confident0 Ų067.4 Ų67.40%034%0.337CS..Hα-helixtrans-64.3-49.3176.3-176.364.7000111.1L111 V114 T133 F151 F161 T170 K171 E172 S176 N177 I178L111-L174 HydrophobicContact CD2-CD1 4.03Å; V114-L174 HydrophobicContact CG2-CD1 3.9Å; T133-L174 HydrophobicContact CG2-CD2 4.01Å; F151-L174 HydrophobicContact CE1-CD1 4.29Å; F161-L174 HydrophobicContact CD1-CD2 4.27Å; F161-L174 HydrophobicContact CE1-CD2 3.75Å; F161-L174 HydrophobicContact CZ-CD2 3.96Å; T170-L174 WeakPolarHBondContact O-CB 3.36Å; T170-L174 PolarHBondContact O-N 3.32Å; K171-L174 PolarHBondContact O-N 3.41Å; E172-L174 VanDerWaalsContact C-N 3.31Å; E172-L174 PolarHBondContact O-N 3.43Å; L174-S176 PolarHBondContact O-N 3.15Å; L174-N177 PolarHBondContact O-N 3.39Å; L174-I178 HydrophobicContact CD1-CD1 3.94Å; L174-I178 HydrophobicContact CD1-CG1 4.22Å; L174-I178 HydrophobicContact CD2-CD1 4.31Å; L174-I178 HydrophobicContact CG-CD1 3.66Å; L174-I178 HydrophobicContact CG-CG1 4.31Å; L174-I178 WeakPolarHBondContact O-CB 3.43Å; L174-I178 WeakPolarHBondContact O-CG1 3.44Å; L174-I178 PolarHBondContact O-N 2.86Å
175L79.7Confident74.3Confident31 Ų3172.1 Ų72.116%0.16237%0.367CS..Hα-helixtrans-61.8-41.7179.8-77.1173.1000112.4F161 K171 E172 I178 K179F161-L175 HydrophobicContact CD2-CD2 3.79Å; F161-L175 HydrophobicContact CD2-CG 4.48Å; F161-L175 HydrophobicContact CE2-CD2 3.84Å; K171-L175 HydrophobicContact CG-CD1 4.13Å; K171-L175 WeakPolarHBondContact O-CB 3.39Å; K171-L175 VanDerWaalsContact O-CG 3.29Å; K171-L175 WeakPolarHBondContact O-CG 3.45Å; K171-L175 PolarHBondContact O-N 3.5Å; E172-L175 PolarHBondContact O-N 3.25Å; L175-I178 PolarHBondContact O-N 3.41Å; L175-K179 WeakPolarHBondContact O-CB 3.25Å; L175-K179 WeakPolarHBondContact O-CG 3.42Å; L175-K179 PolarHBondContact O-N 3.29Å
176S81.4Confident75.3Confident58 Ų5869.1 Ų69.141%0.40636%0.355SS..Hα-helixtrans-64.8-40.2177.159.40000112.1E172 V173 L174 R180E172-S176 WeakPolarHBondContact O-CB 3.25Å; E172-S176 PolarHBondContact O-N 2.85Å; E172-S176 PolarHBondContact O-OG 2.98Å; V173-S176 WeakPolarHBondContact CA-OG 3.31Å; V173-S176 PolarHBondContact O-OG 3.19Å; L174-S176 PolarHBondContact O-N 3.15Å; S176-R180 PolarHBondContact O-N 2.92Å
177N81.5Confident76.2Confident6 Ų669.6 Ų69.63%0.03236%0.359CS..Hα-helixtrans-71.5-38.2176.6-80-66.1000112.9L110 H113 V114 I117 V173 L174 R180 K181L110-N177 HydrophobicContact CD2-CB 4.13Å; H113-N177 PolarHBondContact CD2-OD1 3.05Å; V114-N177 HydrophobicContact CG2-CB 4.01Å; I117-N177 WeakPolarHBondContact CD1-ND2 3.14Å; V173-N177 WeakPolarHBondContact CG1-ND2 3.21Å; V173-N177 WeakPolarHBondContact O-CB 3.35Å; V173-N177 PolarHBondContact O-N 2.92Å; V173-N177 VanDerWaalsContact O-N 3.1Å; V173-N177 PolarHBondContact O-ND2 3.32Å; L174-N177 PolarHBondContact O-N 3.39Å; N177-R180 PolarHBondContact O-N 3.14Å; N177-K181 PolarHBondContact O-N 3.05Å
178I81.3Confident76.9Confident1 Ų168.6 Ų68.61%0.00535%0.352CS..Hα-helixtrans-61.4-48.6173.1-71.3171.9000109.6F151 V155 F161 L174 L175 R180 K181 L182F151-I178 HydrophobicContact CD1-CD1 3.47Å; F151-I178 VanDerWaalsContact CD1-CD1 3.47Å; F151-I178 HydrophobicContact CD1-CG1 3.88Å; F151-I178 HydrophobicContact CE1-CD1 3.71Å; F151-I178 HydrophobicContact CE1-CG1 4.27Å; F151-I178 HydrophobicContact CG-CD1 4.4Å; V155-I178 HydrophobicContact CG2-CG2 3.65Å; F161-I178 HydrophobicContact CE2-CD1 3.79Å; F161-I178 HydrophobicContact CZ-CD1 3.53Å; L174-I178 HydrophobicContact CD1-CD1 3.94Å; L174-I178 HydrophobicContact CD1-CG1 4.22Å; L174-I178 HydrophobicContact CD2-CD1 4.31Å; L174-I178 HydrophobicContact CG-CD1 3.66Å; L174-I178 HydrophobicContact CG-CG1 4.31Å; L174-I178 WeakPolarHBondContact O-CB 3.43Å; L174-I178 WeakPolarHBondContact O-CG1 3.44Å; L174-I178 PolarHBondContact O-N 2.86Å; L175-I178 PolarHBondContact O-N 3.41Å; I178-R180 PolarHBondContact O-N 3.42Å; I178-K181 PolarHBondContact O-N 3.18Å; I178-L182 HydrophobicContact CG2-CB 4.22Å; I178-L182 HydrophobicContact CG2-CD1 4.28Å; I178-L182 WeakPolarHBondContact O-CA 3.13Å; I178-L182 WeakPolarHBondContact O-CB 3.28Å; I178-L182 PolarHBondContact O-N 3.2Å
179K77.7Confident77.5Confident117 Ų11764 Ų6451%0.50932%0.323SS..Hα-helixtrans-58.3-36.9175-74.6178.9-179.6-175.90112.1L175 V183L175-K179 WeakPolarHBondContact O-CB 3.25Å; L175-K179 WeakPolarHBondContact O-CG 3.42Å; L175-K179 PolarHBondContact O-N 3.29Å; K179-V183 WeakPolarHBondContact O-CB 3.48Å; K179-V183 WeakPolarHBondContact O-CG2 3.33Å
180R78.1Confident78Confident196 Ų19658.1 Ų58.174%0.7430%0.295SS*.Hα-helixtrans-72.5-38.7179.7-167.5176.9-66.3168.3-0.2113.4S176 N177 I178S176-R180 PolarHBondContact O-N 2.92Å; N177-R180 PolarHBondContact O-N 3.14Å; I178-R180 PolarHBondContact O-N 3.42Å
181K72.7Confident78.6Confident113 Ų11357.9 Ų57.949%0.49129%0.293SS..Hα-helixtrans-99.6-29.7-175.1-68.9-150.6175.3-170.70115.4S109 L110 N177 I178S109-K181 PolarHBondContact OG-NZ 3.21Å; L110-K181 HydrophobicContact CD1-CB 4.46Å; L110-K181 HydrophobicContact CD2-CB 3.79Å; L110-K181 HydrophobicContact CD2-CD 3.8Å; L110-K181 HydrophobicContact CD2-CG 3.85Å; L110-K181 HydrophobicContact CG-CB 4.34Å; L110-K181 HydrophobicContact CG-CD 4.07Å; N177-K181 PolarHBondContact O-N 3.05Å; I178-K181 PolarHBondContact O-N 3.18Å
182L70.5Confident79.3Confident11 Ų1156.3 Ų56.36%0.05829%0.287CS..Hα-helixtrans-98.8-2.8-176.9-92.8102.6000114.3L110 Y148 F151 K152 V155 I178 S184L110-L182 HydrophobicContact CD1-CD1 3.12Å; L110-L182 HydrophobicContact CG-CD1 4.49Å; Y148-L182 HydrophobicContact CD2-CD2 4.34Å; Y148-L182 HydrophobicContact CE2-CD2 3.88Å; Y148-L182 HydrophobicContact CE2-CG 4.32Å; F151-L182 HydrophobicContact CB-CD2 4.03Å; K152-L182 HydrophobicContact CB-CD2 4.04Å; V155-L182 HydrophobicContact CG2-CB 4.16Å; I178-L182 HydrophobicContact CG2-CB 4.22Å; I178-L182 HydrophobicContact CG2-CD1 4.28Å; I178-L182 WeakPolarHBondContact O-CA 3.13Å; I178-L182 WeakPolarHBondContact O-CB 3.28Å; I178-L182 PolarHBondContact O-N 3.2Å; L182-S184 PolarHBondContact O-N 3.39Å
183V68.1Low79.6Confident79 Ų7949.5 Ų49.548%0.47926%0.255SS..SBendtrans-61.9106.3168.7167.30000107.3V155 K179V155-V183 HydrophobicContact CG1-CG2 4.33Å; K179-V183 WeakPolarHBondContact O-CB 3.48Å; K179-V183 WeakPolarHBondContact O-CG2 3.33Å
184S65.7Low80Confident41 Ų4150.4 Ų50.429%0.28726%0.257SS..PPolyproline II helixtrans-53.1132.7173.348.50000107.7L182 T186L182-S184 PolarHBondContact O-N 3.39Å; S184-T186 PolarHBondContact O-N 3.17Å
185P72.4Confident80.1Confident110 Ų11050.6 Ų50.671%0.71426%0.258SS*.PPolyproline II helixtrans-52.7131.6178.122.9-32.9000108.6V187P185-V187 PolarHBondContact O-N 3.11Å
186T78Confident80.3Confident86 Ų8650 Ų5053%0.52826%0.257SS..PPolyproline II helixtrans-61.5123.9174.252.30000107.5S184 T240S184-T186 PolarHBondContact O-N 3.17Å; T186-T240 HydrophobicContact CG2-CG2 4.23Å
187V83.1Confident80.4Confident34 Ų3448.3 Ų48.321%0.20625%0.245CC..EExtended strand (participates in β ladder)trans-91129.2175.7-160.50000108.5P185 T239 L275P185-V187 PolarHBondContact O-N 3.11Å; V187-T239 PolarHBondContact N-O 2.84Å; V187-T239 PolarHBondContact O-N 2.85Å; V187-L275 HydrophobicContact CB-CD1 3.94Å; V187-L275 HydrophobicContact CG1-CD1 3.16Å; V187-L275 HydrophobicContact CG1-CD2 3.9Å; V187-L275 HydrophobicContact CG1-CG 3.37Å
188K84Confident80.4Confident101 Ų10156.6 Ų56.644%0.43928%0.277SS..EExtended strand (participates in β ladder)trans-80.4130.9172.8-61.7-179.8-171.6174.80107.9T237 V276 E281K188-T237 CarbonylContact C-O 3.53Å; K188-T237 WeakPolarHBondContact CA-O 3.43Å; K188-V276 HydrophobicContact CB-CB 4.06Å; K188-V276 HydrophobicContact CB-CG2 4.05Å; K188-V276 WeakPolarHBondContact O-CB 3.45Å; K188-V276 WeakPolarHBondContact O-CG2 3.4Å; K188-V276 PolarHBondContact O-N 3.22Å; K188-E281 IonicContact NZ-OE1 3.47Å; K188-E281 PolarHBondContact NZ-OE1 3.11Å
189I86.8Confident80.2Confident1 Ų158.5 Ų58.51%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-114.4137.6172.7-53.8173.4000106.8T236 T237 T239 L246 L249 P273 K274 L275I189-T236 CarbonylContact O-C 3.56Å; I189-T236 WeakPolarHBondContact O-CA 3.35Å; I189-T237 HydrophobicContact CB-CG2 3.82Å; I189-T237 HydrophobicContact CD1-CG2 4.39Å; I189-T237 HydrophobicContact CG1-CG2 4.44Å; I189-T237 PolarHBondContact N-O 3.05Å; I189-T237 PolarHBondContact O-N 3.1Å; I189-T239 HydrophobicContact CD1-CG2 3.73Å; I189-T239 HydrophobicContact CG1-CG2 4.42Å; I189-L246 HydrophobicContact CD1-CD2 4.49Å; I189-L246 HydrophobicContact CD1-CG 4.39Å; I189-L246 HydrophobicContact CG2-CD2 4.06Å; I189-L249 HydrophobicContact CB-CD1 4.03Å; I189-L249 HydrophobicContact CG2-CD1 3.47Å; I189-L249 VanDerWaalsContact CG2-CD1 3.47Å; I189-P273 HydrophobicContact CG2-CB 3.99Å; I189-K274 CarbonylContact C-O 3.57Å; I189-K274 WeakPolarHBondContact CA-O 3.31Å; I189-K274 WeakPolarHBondContact CG2-O 3.39Å; I189-L275 HydrophobicContact CG1-CD1 4.28Å
190R85.1Confident80.2Confident11 Ų1165 Ų654%0.04232%0.32CS..EExtended strand (participates in β ladder)trans-126.6140.2-176176.2179.9166.6-169.7-3110.8D192 V234 M235 P273 K274 V276R190-D192 IonicContact CZ-OD1 3Å; R190-D192 VanDerWaalsContact CZ-OD1 3.29Å; R190-D192 IonicContact CZ-OD2 3.85Å; R190-D192 IonicContact NE-OD1 3.82Å; R190-D192 PolarHBondContact NE-OD1 3.26Å; R190-D192 IonicContact NE-OD2 3.73Å; R190-D192 VanDerWaalsContact NH2-CG 3.33Å; R190-D192 IonicContact NH2-OD1 2.75Å; R190-D192 PolarHBondContact NH2-OD1 3.2Å; R190-D192 IonicContact NH2-OD2 3.97Å; R190-D192 PolarHBondContact NH2-OD2 3.25Å; R190-V234 HydrophobicContact CG-CG1 3.68Å; R190-M235 CarbonylContact C-O 3.6Å; R190-M235 VanDerWaalsContact CA-O 3.29Å; R190-M235 WeakPolarHBondContact CA-O 3.44Å; R190-P273 CarbonylContact O-C 3.56Å; R190-P273 VanDerWaalsContact O-CA 3.29Å; R190-P273 WeakPolarHBondContact O-CA 3.44Å; R190-K274 PolarHBondContact N-O 3.13Å; R190-K274 PolarHBondContact O-N 2.89Å; R190-V276 HydrophobicContact CB-CG2 3.43Å; R190-V276 VanDerWaalsContact CB-CG2 3.43Å
191A87.6Confident80.4Confident0 Ų061.8 Ų61.80%031%0.313CS..EExtended strand (participates in β ladder)trans-131140167.300000109.8M235 I253 P273A191-M235 HydrophobicContact CB-CB 4.45Å; A191-M235 PolarHBondContact N-O 3Å; A191-M235 PolarHBondContact O-N 3.39Å; A191-I253 HydrophobicContact CB-CD1 4.22Å; A191-P273 HydrophobicContact CB-CB 4.3Å
192D88.7Confident80.8Confident12 Ų1256.9 Ų56.96%0.06430%0.295CS..EExtended strand (participates in β ladder)trans-106.4120.4176.2-69.46.3000108.3R190 V234 I270 M271 R287R190-D192 IonicContact CZ-OD1 3Å; R190-D192 VanDerWaalsContact CZ-OD1 3.29Å; R190-D192 IonicContact CZ-OD2 3.85Å; R190-D192 IonicContact NE-OD1 3.82Å; R190-D192 PolarHBondContact NE-OD1 3.26Å; R190-D192 IonicContact NE-OD2 3.73Å; R190-D192 VanDerWaalsContact NH2-CG 3.33Å; R190-D192 IonicContact NH2-OD1 2.75Å; R190-D192 PolarHBondContact NH2-OD1 3.2Å; R190-D192 IonicContact NH2-OD2 3.97Å; R190-D192 PolarHBondContact NH2-OD2 3.25Å; D192-V234 WeakPolarHBondContact OD1-CG2 3.05Å; D192-I270 HydrophobicContact CB-CB 4.33Å; D192-I270 PolarHBondContact O-N 3.45Å; D192-M271 HydrophobicContact CB-CB 3.98Å; D192-M271 HydrophobicContact CB-CE 4.45Å; D192-M271 HydrophobicContact CB-CG 4.18Å; D192-M271 PolarHBondContact N-O 2.97Å; D192-M271 PolarHBondContact O-N 2.85Å; D192-M271 WeakPolarHBondContact OD2-CE 3.24Å; D192-R287 IonicContact OD2-NH1 3.45Å
193I87.9Confident81.3Confident0 Ų063.3 Ų63.30%033%0.328CS..EExtended strand (participates in β ladder)trans-120.2142-177.362.9170.5000109.7L210 Y233 M235 I253 I256 F267I193-L210 HydrophobicContact CD1-CD2 4.06Å; I193-Y233 PolarHBondContact N-O 2.98Å; I193-Y233 PolarHBondContact O-N 3.2Å; I193-M235 HydrophobicContact CD1-CG 3.81Å; I193-M235 HydrophobicContact CD1-SD 3.7Å; I193-M235 HydrophobicContact CG1-CG 4.23Å; I193-M235 HydrophobicContact CG1-SD 4.48Å; I193-M235 HydrophobicContact CG2-SD 4.27Å; I193-I253 HydrophobicContact CG2-CG1 4.32Å; I193-I256 HydrophobicContact CD1-CD1 4.15Å; I193-F267 HydrophobicContact CB-CE2 3.75Å; I193-F267 HydrophobicContact CB-CZ 3.87Å; I193-F267 HydrophobicContact CD1-CE2 4.08Å; I193-F267 HydrophobicContact CG1-CE2 4.4Å; I193-F267 HydrophobicContact CG2-CE2 4.08Å; I193-F267 HydrophobicContact CG2-CZ 3.69Å
194E88.5Confident82.1Confident51 Ų5164.7 Ų64.724%0.23833%0.332CS..EExtended strand (participates in β ladder)trans-112.1123.9173.8-171.3179.8173.700107.3P231 L232 F267 K268 I270E194-P231 WeakPolarHBondContact CA-O 3.49Å; E194-P231 HydrophobicContact CG-CB 4.08Å; E194-P231 HydrophobicContact CG-CG 3.82Å; E194-L232 HydrophobicContact CB-CD2 4.38Å; E194-L232 HydrophobicContact CG-CD2 4.26Å; E194-F267 WeakPolarHBondContact O-CA 3.32Å; E194-K268 HydrophobicContact CB-CB 4.18Å; E194-K268 WeakPolarHBondContact CB-O 3.42Å; E194-K268 PolarHBondContact N-O 3.36Å; E194-K268 PolarHBondContact O-N 3.47Å; E194-I270 HydrophobicContact CB-CD1 3.99Å; E194-I270 HydrophobicContact CB-CG1 4.29Å
195C82.8Confident83Confident3 Ų362.8 Ų62.82%0.0232%0.319CS..EExtended strand (participates in β ladder)trans-130.2112.9-178.5-1670000109.3P231 Y233 T260 F267C195-P231 PolarHBondContact N-O 3.32Å; C195-Y233 HydrophobicContact CB-CD2 4.16Å; C195-Y233 HydrophobicContact CB-CE2 4.04Å; C195-T260 PolarHBondContact SG-OG1 3.4Å; C195-T260 VanDerWaalsContact SG-OG1 3.39Å; C195-F267 HydrophobicContact CB-CD2 4.32Å
196S85.2Confident83.6Confident18 Ų1858.2 Ų58.213%0.12629%0.289CS..EExtended strand (participates in β ladder)trans-124.6118.6-177.5-63.10000109.4P231 G265 E266S196-P231 VanDerWaalsContact OG-CB 3.28Å; S196-P231 WeakPolarHBondContact OG-CB 3.49Å; S196-G265 CarbonylContact O-C 3.39Å; S196-G265 WeakPolarHBondContact O-CA 3.21Å; S196-E266 PolarHBondContact N-O 2.91Å; S196-E266 PolarHBondContact O-N 2.93Å
197C83.1Confident83.9Confident23 Ų2360.8 Ų60.816%0.15529%0.293CS..EExtended strand (participates in β ladder)trans-117.8122.2172.8-63.40000109.1A205 V206C197-A205 HydrophobicContact CB-CB 4.28Å; C197-V206 HydrophobicContact CB-CG2 4.06Å
198Y81Confident84Confident180 Ų18060.4 Ų60.471%0.70629%0.294SS*.  trans-93.30.9-177.4-64.1-73.9000114
199G78.2Confident84.1Confident41 Ų4155.6 Ų55.642%0.42327%0.273SS..SBendtrans-69.1160.9177.700000113.5E201 G202G199-E201 PolarHBondContact O-N 3.16Å; G199-E201 VanDerWaalsContact O-N 3.16Å; G199-G202 WeakPolarHBondContact O-CA 3.35Å; G199-G202 PolarHBondContact O-N 2.82Å
200Y77.4Confident84Confident253 Ų25356.6 Ų56.699%0.99228%0.278SS*.THydrogen-bonded Turntrans-58.1-26.6174.5-119.9-96.1000112.6
201E81.4Confident84Confident130 Ų13059 Ų5961%0.60729%0.294SS*.THydrogen-bonded Turntrans-103.828.4174.9-62.1-178.5171.100111.9G199 I203 D204 A205G199-E201 PolarHBondContact O-N 3.16Å; G199-E201 VanDerWaalsContact O-N 3.16Å; E201-I203 VanDerWaalsContact C-N 3.32Å; E201-I203 PolarHBondContact O-N 3.04Å; E201-D204 PolarHBondContact O-N 2.69Å; E201-D204 VanDerWaalsContact O-N 3.16Å; E201-A205 WeakPolarHBondContact O-CB 3.14Å; E201-A205 PolarHBondContact O-N 3.4Å
202G80.8Confident83.7Confident10 Ų1063.1 Ų63.110%0.10331%0.312CS..Hα-helixtrans-58.4-38.9-17200000114G199 A205 V206G199-G202 WeakPolarHBondContact O-CA 3.35Å; G199-G202 PolarHBondContact O-N 2.82Å; G202-A205 PolarHBondContact O-N 3.27Å; G202-V206 VanDerWaalsContact O-CG2 3.27Å; G202-V206 WeakPolarHBondContact O-CG2 3.4Å; G202-V206 PolarHBondContact O-N 3.44Å
203I80.8Confident83.4Confident146 Ų14662.6 Ų62.675%0.74931%0.309SS*.Hα-helixtrans-68.2-41.2179-60.4171.6000110.9E201 V206 K207E201-I203 VanDerWaalsContact C-N 3.32Å; E201-I203 PolarHBondContact O-N 3.04Å; I203-V206 PolarHBondContact O-N 3.17Å; I203-K207 WeakPolarHBondContact O-CB 3.33Å; I203-K207 PolarHBondContact O-N 3.33Å
204D84.6Confident83.1Confident107 Ų10765.7 Ų65.757%0.57233%0.325SS*.Hα-helixtrans-69-37.7178.1-71.7-34.9000111.3E201 K207 A208E201-D204 PolarHBondContact O-N 2.69Å; E201-D204 VanDerWaalsContact O-N 3.16Å; D204-K207 PolarHBondContact O-N 2.63Å; D204-A208 WeakPolarHBondContact O-CB 3.36Å; D204-A208 PolarHBondContact O-N 3.29Å
205A84.8Confident82.7Confident1 Ų169.8 Ų69.81%0.00834%0.344CS..Hα-helixtrans-59.1-51.9171.800000111.6C197 E201 G202 K207 A208 S209 Y263C197-A205 HydrophobicContact CB-CB 4.28Å; E201-A205 WeakPolarHBondContact O-CB 3.14Å; E201-A205 PolarHBondContact O-N 3.4Å; G202-A205 PolarHBondContact O-N 3.27Å; A205-K207 VanDerWaalsContact C-N 3.35Å; A205-K207 PolarHBondContact O-N 3.35Å; A205-A208 PolarHBondContact O-N 3Å; A205-S209 PolarHBondContact O-N 2.88Å; A205-S209 PolarHBondContact O-OG 2.98Å; A205-S209 VanDerWaalsContact O-OG 3.06Å; A205-Y263 HydrophobicContact CB-CD1 3.72Å; A205-Y263 HydrophobicContact CB-CD2 3.74Å; A205-Y263 HydrophobicContact CB-CE1 4.34Å; A205-Y263 HydrophobicContact CB-CE2 4.39Å; A205-Y263 HydrophobicContact CB-CG 3.39Å
206V84.7Confident82.3Confident14 Ų1473.2 Ų73.29%0.08536%0.362CS..Hα-helixtrans-59.9-46.5178.5173.50000110.5C197 G202 I203 A208 S209 L210 Y233C197-V206 HydrophobicContact CB-CG2 4.06Å; G202-V206 VanDerWaalsContact O-CG2 3.27Å; G202-V206 WeakPolarHBondContact O-CG2 3.4Å; G202-V206 PolarHBondContact O-N 3.44Å; I203-V206 PolarHBondContact O-N 3.17Å; V206-A208 VanDerWaalsContact C-N 3.33Å; V206-A208 PolarHBondContact O-N 2.79Å; V206-S209 PolarHBondContact O-N 3.43Å; V206-L210 HydrophobicContact CG1-CD1 3.99Å; V206-L210 HydrophobicContact CG1-CG 4.33Å; V206-L210 VanDerWaalsContact O-CG 3.32Å; V206-L210 WeakPolarHBondContact O-CG 3.21Å; V206-L210 PolarHBondContact O-N 2.85Å; V206-Y233 HydrophobicContact CG1-CE2 4.26Å; V206-Y233 WeakPolarHBondContact CG1-OH 3.3Å
207K85.8Confident81.7Confident140 Ų14074.8 Ų74.861%0.60937%0.373SS*.Hα-helixtrans-61.1-41.9178.1-170.7176.9-179.3-1790111.7I203 D204 A205 L210 T211I203-K207 WeakPolarHBondContact O-CB 3.33Å; I203-K207 PolarHBondContact O-N 3.33Å; D204-K207 PolarHBondContact O-N 2.63Å; A205-K207 VanDerWaalsContact C-N 3.35Å; A205-K207 PolarHBondContact O-N 3.35Å; K207-L210 PolarHBondContact O-N 2.88Å; K207-T211 WeakPolarHBondContact O-CB 3.38Å; K207-T211 PolarHBondContact O-N 3.39Å; K207-T211 PolarHBondContact O-OG1 3.19Å
208A85.6Confident81.3Confident27 Ų2777.5 Ų77.522%0.22339%0.389CS..Hα-helixtrans-69.7-32.5178.700000112.9D204 A205 V206 K212 K259D204-A208 WeakPolarHBondContact O-CB 3.36Å; D204-A208 PolarHBondContact O-N 3.29Å; A205-A208 PolarHBondContact O-N 3Å; V206-A208 VanDerWaalsContact C-N 3.33Å; V206-A208 PolarHBondContact O-N 2.79Å; A208-K212 PolarHBondContact O-N 3.32Å; A208-K259 PolarHBondContact O-NZ 3.03Å
209S84.5Confident80.6Confident0 Ų078.7 Ų78.70%040%0.401CS..Hα-helixtrans-66.6-50.3172.6-61.60000111A205 V206 T211 K212 G213 K259 T260A205-S209 PolarHBondContact O-N 2.88Å; A205-S209 PolarHBondContact O-OG 2.98Å; A205-S209 VanDerWaalsContact O-OG 3.06Å; V206-S209 PolarHBondContact O-N 3.43Å; S209-T211 VanDerWaalsContact C-N 3.34Å; S209-T211 PolarHBondContact O-N 2.91Å; S209-K212 PolarHBondContact O-N 3.47Å; S209-G213 PolarHBondContact O-N 3.23Å; S209-G213 VanDerWaalsContact O-N 3.1Å; S209-K259 WeakPolarHBondContact OG-CB 3.32Å; S209-T260 WeakPolarHBondContact CB-OG1 3.3Å; S209-T260 PolarHBondContact OG-N 2.67Å; S209-T260 PolarHBondContact OG-OG1 2.86Å
210L85.1Confident80Confident22 Ų2285 Ų8512%0.11542%0.42CS..Hα-helixtrans-65.2-37.1-179.6-65-178.1000112.1I193 V206 K207 G213 L214 I225 Y233 I256I193-L210 HydrophobicContact CD1-CD2 4.06Å; V206-L210 HydrophobicContact CG1-CD1 3.99Å; V206-L210 HydrophobicContact CG1-CG 4.33Å; V206-L210 VanDerWaalsContact O-CG 3.32Å; V206-L210 WeakPolarHBondContact O-CG 3.21Å; V206-L210 PolarHBondContact O-N 2.85Å; K207-L210 PolarHBondContact O-N 2.88Å; L210-G213 WeakPolarHBondContact O-CA 3.34Å; L210-G213 PolarHBondContact O-N 2.99Å; L210-G213 VanDerWaalsContact O-N 3.16Å; L210-L214 WeakPolarHBondContact O-CG 3.27Å; L210-L214 PolarHBondContact O-N 3.37Å; L210-I225 HydrophobicContact CB-CD1 4.4Å; L210-I225 HydrophobicContact CD2-CD1 4Å; L210-I225 HydrophobicContact CD2-CG2 4.12Å; L210-Y233 HydrophobicContact CD1-CD1 3.79Å; L210-Y233 HydrophobicContact CD1-CE1 3.68Å; L210-Y233 HydrophobicContact CD1-CG 4.4Å; L210-I256 HydrophobicContact CD2-CD1 4.33Å
211T85.9Confident79.8Confident62 Ų6274.1 Ų74.138%0.3838%0.379SS..Hα-helixtrans-64.5-42.5177.1-53.90000111.7K207 S209 G213 L214 E215K207-T211 WeakPolarHBondContact O-CB 3.38Å; K207-T211 PolarHBondContact O-N 3.39Å; K207-T211 PolarHBondContact O-OG1 3.19Å; S209-T211 VanDerWaalsContact C-N 3.34Å; S209-T211 PolarHBondContact O-N 2.91Å; T211-G213 VanDerWaalsContact C-N 3.27Å; T211-G213 PolarHBondContact O-N 2.95Å; T211-L214 WeakPolarHBondContact O-CB 3.34Å; T211-L214 PolarHBondContact O-N 2.66Å; T211-L214 VanDerWaalsContact O-N 3.08Å; T211-E215 WeakPolarHBondContact O-CG 3.38Å; T211-E215 PolarHBondContact O-N 3.36Å
212K81.2Confident79.8Confident86 Ų8670.5 Ų70.537%0.37437%0.366SS..Hα-helixtrans-64.5-32.8173.2-82.1-149.3-167153.60112.7A208 S209 L214 E215 K259A208-K212 PolarHBondContact O-N 3.32Å; S209-K212 PolarHBondContact O-N 3.47Å; K212-L214 VanDerWaalsContact C-N 3.28Å; K212-L214 PolarHBondContact O-N 3.14Å; K212-E215 PolarHBondContact O-N 3.38Å; K212-K259 HydrophobicContact CB-CG 4.46Å; K212-K259 HydrophobicContact CD-CD 4.23Å; K212-K259 HydrophobicContact CD-CG 4.03Å; K212-K259 HydrophobicContact CG-CD 4.49Å; K212-K259 HydrophobicContact CG-CG 4.48Å
213G81.6Confident80Confident0 Ų070.4 Ų70.40%036%0.363CS..Hα-helixtrans-64-33.1171.900000113.1S209 L210 T211S209-G213 PolarHBondContact O-N 3.23Å; S209-G213 VanDerWaalsContact O-N 3.1Å; L210-G213 WeakPolarHBondContact O-CA 3.34Å; L210-G213 PolarHBondContact O-N 2.99Å; L210-G213 VanDerWaalsContact O-N 3.16Å; T211-G213 VanDerWaalsContact C-N 3.27Å; T211-G213 PolarHBondContact O-N 2.95Å
214L82.4Confident80.2Confident66 Ų6671.5 Ų71.535%0.34636%0.358SS..Hα-helixtrans-76.7-33.2175.3-68.4170000112.8L210 T211 K212 L216 S217 I223 I225L210-L214 WeakPolarHBondContact O-CG 3.27Å; L210-L214 PolarHBondContact O-N 3.37Å; T211-L214 WeakPolarHBondContact O-CB 3.34Å; T211-L214 PolarHBondContact O-N 2.66Å; T211-L214 VanDerWaalsContact O-N 3.08Å; K212-L214 VanDerWaalsContact C-N 3.28Å; K212-L214 PolarHBondContact O-N 3.14Å; L214-L216 PolarHBondContact O-N 3.21Å; L214-S217 WeakPolarHBondContact O-CB 3.42Å; L214-S217 PolarHBondContact O-N 3.22Å; L214-S217 PolarHBondContact O-OG 2.95Å; L214-I223 VanDerWaalsContact CD2-O 3.27Å; L214-I223 WeakPolarHBondContact CD2-O 3.27Å; L214-I225 HydrophobicContact CD2-CD1 4.21Å; L214-I225 HydrophobicContact CD2-CG1 3.91Å; L214-I225 HydrophobicContact CG-CD1 4.19Å; L214-I225 HydrophobicContact CG-CG1 4.4Å
215E79.4Confident80.2Confident137 Ų13767.9 Ų67.964%0.6434%0.338SS*.Hα-helixtrans-64.2-24.7179.5-76.2172.6179.800113.5T211 K212 S217T211-E215 WeakPolarHBondContact O-CG 3.38Å; T211-E215 PolarHBondContact O-N 3.36Å; K212-E215 PolarHBondContact O-N 3.38Å; E215-S217 PolarHBondContact O-N 2.95Å
216L75.1Confident80.3Confident74 Ų7471.9 Ų71.939%0.38736%0.36SS..THydrogen-bonded Turntrans-79.21.7174.2-73151.7000113.2L214 T218 H255L214-L216 PolarHBondContact O-N 3.21Å; L216-T218 PolarHBondContact O-N 3.31Å; L216-H255 HydrophobicContact CD1-CB 3.7Å; L216-H255 WeakPolarHBondContact CD1-CD2 3.49Å
217S71.4Confident80.4Confident51 Ų5175.3 Ų75.336%0.35738%0.377SS..  trans-68.9127.1170.964.30000110.4L214 E215L214-S217 WeakPolarHBondContact O-CB 3.42Å; L214-S217 PolarHBondContact O-N 3.22Å; L214-S217 PolarHBondContact O-OG 2.95Å; E215-S217 PolarHBondContact O-N 2.95Å
218T75.1Confident80.3Confident81 Ų8169.6 Ų69.650%0.49735%0.353SS..BIsolated β-bridgetrans-94.215817044.50000109L216 E220 L221L216-T218 PolarHBondContact O-N 3.31Å; T218-E220 PolarHBondContact O-N 3.45Å; T218-E220 VanDerWaalsContact O-N 3.11Å; T218-L221 CarbonylContact O-C 3.5Å; T218-L221 WeakPolarHBondContact O-CA 3.41Å; T218-L221 PolarHBondContact O-N 3.27Å; T218-L221 WeakPolarHBondContact OG1-CB 3.44Å
219E66.7Low80Confident205 Ų20569.6 Ų69.696%0.95835%0.353SS*.THydrogen-bonded Turntrans-57.2-28.4-179.9-66.6-175168.400112.8
220E66Low79.8Confident174 Ų17474 Ų7481%0.81338%0.382SS*.THydrogen-bonded Turntrans-79.1-19.6175.2-61.4-169.4165.900113.6T218T218-E220 PolarHBondContact O-N 3.45Å; T218-E220 VanDerWaalsContact O-N 3.11Å
221L72.7Confident79.8Confident24 Ų2475.1 Ų75.113%0.12639%0.39CS..BIsolated β-bridgetrans-131.977.1-172.5-63.8164.4000110.1T218 I223 T239 A248T218-L221 CarbonylContact O-C 3.5Å; T218-L221 WeakPolarHBondContact O-CA 3.41Å; T218-L221 PolarHBondContact O-N 3.27Å; T218-L221 WeakPolarHBondContact OG1-CB 3.44Å; L221-I223 PolarHBondContact O-N 3.41Å; L221-I223 VanDerWaalsContact O-N 3.16Å; L221-T239 WeakPolarHBondContact CD2-OG1 3.5Å; L221-A248 HydrophobicContact CD1-CB 4.11Å
222P80.8Confident79.9Confident53 Ų5375.3 Ų75.334%0.34439%0.388SS..  trans-68.9115175.428.2-33000109.5T237P222-T237 PolarHBondContact O-OG1 3.49Å
223I84.8Confident80.1Confident9 Ų973.1 Ų73.15%0.04638%0.378CS..EExtended strand (participates in β ladder)trans-94.9126.1171.4-58.4174.1000107.8L214 L221 I225 M235 L249 A252L214-I223 VanDerWaalsContact CD2-O 3.27Å; L214-I223 WeakPolarHBondContact CD2-O 3.27Å; L221-I223 PolarHBondContact O-N 3.41Å; L221-I223 VanDerWaalsContact O-N 3.16Å; I223-I225 HydrophobicContact CG2-CG1 4.4Å; I223-M235 HydrophobicContact CG2-CE 3.7Å; I223-L249 HydrophobicContact CG2-CD2 4.37Å; I223-A252 HydrophobicContact CD1-CB 4.18Å
224R85Confident80.5Confident169 Ų16973.3 Ų73.364%0.63838%0.379SS*.EExtended strand (participates in β ladder)trans-117.5132.6173.9-62.6-178.9-176.2174.11109.5M235 T236R224-M235 CarbonylContact O-C 3.54Å; R224-M235 WeakPolarHBondContact O-CA 3.5Å; R224-T236 PolarHBondContact N-O 3.02Å; R224-T236 PolarHBondContact O-N 3.44Å; R224-T236 PolarHBondContact O-OG1 3.16Å
225I86.7Confident80.7Confident30 Ų3070.2 Ų70.215%0.15436%0.363CS..EExtended strand (participates in β ladder)trans-114.2116.8177-48.8-177.2000107.8L210 L214 I223 V234 M235 I256L210-I225 HydrophobicContact CB-CD1 4.4Å; L210-I225 HydrophobicContact CD2-CD1 4Å; L210-I225 HydrophobicContact CD2-CG2 4.12Å; L214-I225 HydrophobicContact CD2-CD1 4.21Å; L214-I225 HydrophobicContact CD2-CG1 3.91Å; L214-I225 HydrophobicContact CG-CD1 4.19Å; L214-I225 HydrophobicContact CG-CG1 4.4Å; I223-I225 HydrophobicContact CG2-CG1 4.4Å; I225-V234 CarbonylContact C-O 3.16Å; I225-V234 WeakPolarHBondContact CA-O 3.37Å; I225-M235 HydrophobicContact CD1-CE 3.8Å; I225-M235 HydrophobicContact CD1-CG 4.27Å; I225-M235 HydrophobicContact CD1-SD 4.37Å; I225-M235 HydrophobicContact CG1-CE 4.06Å; I225-M235 HydrophobicContact CG1-CG 3.97Å; I225-M235 HydrophobicContact CG2-CG 4.23Å; I225-I256 HydrophobicContact CD1-CD1 4.23Å
226N87Confident81Confident86 Ų8665.4 Ų65.446%0.4634%0.343SS..EExtended strand (participates in β ladder)trans-110.9142.7177.9-67.8-15.1000109.8Y233 V234N226-Y233 WeakPolarHBondContact O-CA 3.47Å; N226-V234 PolarHBondContact N-O 3.08Å; N226-V234 PolarHBondContact O-N 3.31Å
227L85.2Confident81.5Confident86 Ų8662 Ų6245%0.4533%0.325SS..EExtended strand (participates in β ladder)trans-81.8132.5169.5178.973.5000108.6P230 Y233L227-P230 HydrophobicContact CD1-CG 4.32Å; L227-P230 HydrophobicContact CD2-CG 4.39Å; L227-Y233 HydrophobicContact CB-CD1 4.22Å; L227-Y233 HydrophobicContact CB-CE1 4.28Å; L227-Y233 HydrophobicContact CD1-CD1 3.73Å; L227-Y233 HydrophobicContact CD1-CE1 3.38Å; L227-Y233 HydrophobicContact CD1-CE2 4.4Å; L227-Y233 HydrophobicContact CD1-CG 4.38Å; L227-Y233 HydrophobicContact CG-CE1 4.4Å
228I84.1Confident82.1Confident19 Ų1961.7 Ų61.710%0.09732%0.323CS..EExtended strand (participates in β ladder)trans-93.6-61.5164.3-63.4-179.6000108.2L232 V234 L284 R287 L288 A291I228-L232 PolarHBondContact N-O 2.88Å; I228-V234 HydrophobicContact CD1-CB 4.44Å; I228-V234 HydrophobicContact CD1-CG2 3.26Å; I228-V234 HydrophobicContact CG1-CG2 3.77Å; I228-L284 HydrophobicContact CD1-CD1 3.67Å; I228-L284 HydrophobicContact CG1-CD1 4.42Å; I228-R287 HydrophobicContact CG2-CB 4.47Å; I228-L288 HydrophobicContact CB-CD2 4.49Å; I228-L288 HydrophobicContact CG1-CD2 3.89Å; I228-L288 HydrophobicContact CG1-CG 4.46Å; I228-A291 HydrophobicContact CG2-CB 3.83Å; I228-A291 VanDerWaalsContact O-CB 3.3Å; I228-A291 WeakPolarHBondContact O-CB 3.4Å
229A80.2Confident82.5Confident27 Ų2758.2 Ų58.222%0.22330%0.302CS..EExtended strand (participates in β ladder)trans-152.5135.7-179.600000107.7P231 L232 A291A229-P231 CarbonylContact O-C 3.6Å; A229-L232 PolarHBondContact N-O 3.29Å; A229-L232 CarbonylContact O-C 3.53Å; A229-L232 VanDerWaalsContact O-CA 3.24Å; A229-L232 WeakPolarHBondContact O-CA 3.41Å; A229-L232 VanDerWaalsContact O-CB 3.23Å; A229-L232 WeakPolarHBondContact O-CB 3.5Å; A229-L232 PolarHBondContact O-N 2.97Å; A229-L232 VanDerWaalsContact O-O 3.06Å; A229-A291 HydrophobicContact CB-CB 4.46Å
230P79.9Confident83Confident94 Ų9452 Ų5261%0.6128%0.278SS*.THydrogen-bonded Turntrans-57.5131.9173.3-22.333.1000110.4L227L227-P230 HydrophobicContact CD1-CG 4.32Å; L227-P230 HydrophobicContact CD2-CG 4.39Å
231P83.8Confident83.6Confident45 Ų4549 Ų4929%0.29226%0.262SS..THydrogen-bonded Turncis-94.615.93.435.8-33.9000116.5E194 C195 S196 A229 Y233E194-P231 WeakPolarHBondContact CA-O 3.49Å; E194-P231 HydrophobicContact CG-CB 4.08Å; E194-P231 HydrophobicContact CG-CG 3.82Å; C195-P231 PolarHBondContact N-O 3.32Å; S196-P231 VanDerWaalsContact OG-CB 3.28Å; S196-P231 WeakPolarHBondContact OG-CB 3.49Å; A229-P231 CarbonylContact O-C 3.6Å; P231-Y233 VanDerWaalsContact O-CD2 3.31Å; P231-Y233 WeakPolarHBondContact O-CD2 3.2Å; P231-Y233 WeakPolarHBondContact O-CE2 3.48Å
232L88.3Confident83.8Confident66 Ų6654 Ų5435%0.34628%0.283SS..EExtended strand (participates in β ladder)trans-86.9122.3-177.1-52.6176.6000114E194 I228 A229 I270E194-L232 HydrophobicContact CB-CD2 4.38Å; E194-L232 HydrophobicContact CG-CD2 4.26Å; I228-L232 PolarHBondContact N-O 2.88Å; A229-L232 PolarHBondContact N-O 3.29Å; A229-L232 CarbonylContact O-C 3.53Å; A229-L232 VanDerWaalsContact O-CA 3.24Å; A229-L232 WeakPolarHBondContact O-CA 3.41Å; A229-L232 VanDerWaalsContact O-CB 3.23Å; A229-L232 WeakPolarHBondContact O-CB 3.5Å; A229-L232 PolarHBondContact O-N 2.97Å; A229-L232 VanDerWaalsContact O-O 3.06Å; L232-I270 HydrophobicContact CD2-CD1 3.13Å
233Y87.1Confident84Confident40 Ų4055.5 Ų55.516%0.15729%0.291CS..EExtended strand (participates in β ladder)trans-122.1149.7173.6-54.3-98.1000111I193 C195 V206 L210 N226 L227 P231I193-Y233 PolarHBondContact N-O 2.98Å; I193-Y233 PolarHBondContact O-N 3.2Å; C195-Y233 HydrophobicContact CB-CD2 4.16Å; C195-Y233 HydrophobicContact CB-CE2 4.04Å; V206-Y233 HydrophobicContact CG1-CE2 4.26Å; V206-Y233 WeakPolarHBondContact CG1-OH 3.3Å; L210-Y233 HydrophobicContact CD1-CD1 3.79Å; L210-Y233 HydrophobicContact CD1-CE1 3.68Å; L210-Y233 HydrophobicContact CD1-CG 4.4Å; N226-Y233 WeakPolarHBondContact O-CA 3.47Å; L227-Y233 HydrophobicContact CB-CD1 4.22Å; L227-Y233 HydrophobicContact CB-CE1 4.28Å; L227-Y233 HydrophobicContact CD1-CD1 3.73Å; L227-Y233 HydrophobicContact CD1-CE1 3.38Å; L227-Y233 HydrophobicContact CD1-CE2 4.4Å; L227-Y233 HydrophobicContact CD1-CG 4.38Å; L227-Y233 HydrophobicContact CG-CE1 4.4Å; P231-Y233 VanDerWaalsContact O-CD2 3.31Å; P231-Y233 WeakPolarHBondContact O-CD2 3.2Å; P231-Y233 WeakPolarHBondContact O-CE2 3.48Å
234V88.8Confident83.8Confident4 Ų458 Ų582%0.02430%0.304CS..EExtended strand (participates in β ladder)trans-118.9124.2177.2177.40000110R190 D192 I225 N226 I228 T236 L284R190-V234 HydrophobicContact CG-CG1 3.68Å; D192-V234 WeakPolarHBondContact OD1-CG2 3.05Å; I225-V234 CarbonylContact C-O 3.16Å; I225-V234 WeakPolarHBondContact CA-O 3.37Å; N226-V234 PolarHBondContact N-O 3.08Å; N226-V234 PolarHBondContact O-N 3.31Å; I228-V234 HydrophobicContact CD1-CB 4.44Å; I228-V234 HydrophobicContact CD1-CG2 3.26Å; I228-V234 HydrophobicContact CG1-CG2 3.77Å; V234-T236 HydrophobicContact CG1-CG2 4Å; V234-L284 HydrophobicContact CG2-CD1 4.42Å
235M85.7Confident83.7Confident0 Ų049.9 Ų49.90%027%0.274CS..EExtended strand (participates in β ladder)trans-96128.3171.5-55.3-173.865.700109.1R190 A191 I193 I223 R224 I225 L249 A252 I253 I256R190-M235 CarbonylContact C-O 3.6Å; R190-M235 VanDerWaalsContact CA-O 3.29Å; R190-M235 WeakPolarHBondContact CA-O 3.44Å; A191-M235 HydrophobicContact CB-CB 4.45Å; A191-M235 PolarHBondContact N-O 3Å; A191-M235 PolarHBondContact O-N 3.39Å; I193-M235 HydrophobicContact CD1-CG 3.81Å; I193-M235 HydrophobicContact CD1-SD 3.7Å; I193-M235 HydrophobicContact CG1-CG 4.23Å; I193-M235 HydrophobicContact CG1-SD 4.48Å; I193-M235 HydrophobicContact CG2-SD 4.27Å; I223-M235 HydrophobicContact CG2-CE 3.7Å; R224-M235 CarbonylContact O-C 3.54Å; R224-M235 WeakPolarHBondContact O-CA 3.5Å; I225-M235 HydrophobicContact CD1-CE 3.8Å; I225-M235 HydrophobicContact CD1-CG 4.27Å; I225-M235 HydrophobicContact CD1-SD 4.37Å; I225-M235 HydrophobicContact CG1-CE 4.06Å; I225-M235 HydrophobicContact CG1-CG 3.97Å; I225-M235 HydrophobicContact CG2-CG 4.23Å; M235-L249 HydrophobicContact CB-CD2 4.02Å; M235-L249 HydrophobicContact CE-CD2 4.1Å; M235-A252 HydrophobicContact CE-CB 3.78Å; M235-I253 HydrophobicContact SD-CG1 4.35Å; M235-I256 HydrophobicContact CE-CD1 3.88Å; M235-I256 HydrophobicContact SD-CD1 3.75Å
236T86.9Confident83.6Confident36 Ų3651.5 Ų51.522%0.22128%0.282CS..EExtended strand (participates in β ladder)trans-122.1136.8174.958.70000109.5I189 R224 V234I189-T236 CarbonylContact O-C 3.56Å; I189-T236 WeakPolarHBondContact O-CA 3.35Å; R224-T236 PolarHBondContact N-O 3.02Å; R224-T236 PolarHBondContact O-N 3.44Å; R224-T236 PolarHBondContact O-OG1 3.16Å; V234-T236 HydrophobicContact CG1-CG2 4Å
237T85.2Confident83.5Confident3 Ų353.6 Ų53.62%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-132.6141.6169.8-165.70000109.8K188 I189 P222 L249K188-T237 CarbonylContact C-O 3.53Å; K188-T237 WeakPolarHBondContact CA-O 3.43Å; I189-T237 HydrophobicContact CB-CG2 3.82Å; I189-T237 HydrophobicContact CD1-CG2 4.39Å; I189-T237 HydrophobicContact CG1-CG2 4.44Å; I189-T237 PolarHBondContact N-O 3.05Å; I189-T237 PolarHBondContact O-N 3.1Å; P222-T237 PolarHBondContact O-OG1 3.49Å; T237-L249 HydrophobicContact CG2-CD1 3.77Å; T237-L249 HydrophobicContact CG2-CD2 4.37Å; T237-L249 HydrophobicContact CG2-CG 3.86Å
238S85.1Confident83.5Confident45 Ų4550.6 Ų50.632%0.31528%0.275SS..EExtended strand (participates in β ladder)trans-107.6120.4173.856.30000109.2
239T82.3Confident83.5Confident7 Ų749.7 Ų49.74%0.04327%0.271CS..EExtended strand (participates in β ladder)trans-137.5153.1178.6-173.70000111.9V187 I189 L221 K241V187-T239 PolarHBondContact N-O 2.84Å; V187-T239 PolarHBondContact O-N 2.85Å; I189-T239 HydrophobicContact CD1-CG2 3.73Å; I189-T239 HydrophobicContact CG1-CG2 4.42Å; L221-T239 WeakPolarHBondContact CD2-OG1 3.5Å; T239-K241 WeakPolarHBondContact CG2-O 3.29Å; T239-K241 PolarHBondContact OG1-N 2.79Å; T239-K241 PolarHBondContact OG1-O 2.89Å
240T77.4Confident83.8Confident75 Ų7553.5 Ų53.546%0.4628%0.284SS..SBendtrans-81.1-26.4170.152.50000112T186T186-T240 HydrophobicContact CG2-CG2 4.23Å
241K77.9Confident84.2Confident112 Ų11252 Ų5249%0.48727%0.272SS..  trans-110.8114.6-177.1-71.6177.1-179.3171.40110.3T239 T243 D244 G245T239-K241 WeakPolarHBondContact CG2-O 3.29Å; T239-K241 PolarHBondContact OG1-N 2.79Å; T239-K241 PolarHBondContact OG1-O 2.89Å; K241-T243 PolarHBondContact O-N 2.8Å; K241-D244 HydrophobicContact CB-CB 4.21Å; K241-D244 WeakPolarHBondContact CD-OD2 3.36Å; K241-D244 IonicContact NZ-OD2 3.71Å; K241-D244 PolarHBondContact O-N 2.96Å; K241-G245 PolarHBondContact O-N 2.82Å
242K77.9Confident84.3Confident129 Ų12949.8 Ų49.856%0.56126%0.258SS*.Hα-helixtrans-52.7-41.4179.6-61.2-178179.2-1770112.7L246 L275K242-L246 WeakPolarHBondContact O-CG 3.29Å; K242-L246 PolarHBondContact O-N 2.87Å; K242-L275 HydrophobicContact CG-CD1 4.43Å
243T83.8Confident84.2Confident83 Ų8347.3 Ų47.351%0.50925%0.245SC..Hα-helixtrans-68.9-38.7-175.651.20000113.3K241 K247K241-T243 PolarHBondContact O-N 2.8Å; T243-K247 WeakPolarHBondContact O-CG 3.4Å; T243-K247 PolarHBondContact O-N 2.83Å
244D82.4Confident84.2Confident61 Ų6151.7 Ų51.733%0.32627%0.267SS..Hα-helixtrans-78.6-36.4-171.4-60-9.8000109.7K241 A248K241-D244 HydrophobicContact CB-CB 4.21Å; K241-D244 WeakPolarHBondContact CD-OD2 3.36Å; K241-D244 IonicContact NZ-OD2 3.71Å; K241-D244 PolarHBondContact O-N 2.96Å; D244-A248 WeakPolarHBondContact O-CB 3.5Å; D244-A248 PolarHBondContact O-N 3.45Å
245G81.7Confident84Confident0 Ų055.4 Ų55.40%028%0.284CS..Hα-helixtrans-69.6-33.3174.200000114.5K241 L249K241-G245 PolarHBondContact O-N 2.82Å; G245-L249 PolarHBondContact O-N 3.27Å; G245-L249 VanDerWaalsContact O-N 3.17Å
246L84.1Confident84.1Confident63 Ų6355.4 Ų55.433%0.3328%0.284SS..Hα-helixtrans-64.8-48.8173.8-73.2175.4000111.1I189 K242 A248 L249 E250 P273I189-L246 HydrophobicContact CD1-CD2 4.49Å; I189-L246 HydrophobicContact CD1-CG 4.39Å; I189-L246 HydrophobicContact CG2-CD2 4.06Å; K242-L246 WeakPolarHBondContact O-CG 3.29Å; K242-L246 PolarHBondContact O-N 2.87Å; L246-A248 VanDerWaalsContact C-N 3.34Å; L246-A248 PolarHBondContact O-N 3.4Å; L246-L249 PolarHBondContact O-N 3.47Å; L246-E250 WeakPolarHBondContact O-CG 3.4Å; L246-E250 PolarHBondContact O-N 3.1Å; L246-P273 HydrophobicContact CD2-CB 3.88Å; L246-P273 HydrophobicContact CD2-CG 4.18Å; L246-P273 WeakPolarHBondContact CD2-O 3.47Å
247K85.4Confident84.1Confident131 Ų13159.7 Ų59.757%0.5730%0.296SS*.Hα-helixtrans-61.5-42.1177.8-70.5175.6-178.6177.60112.1T243 L249 E250 V251T243-K247 WeakPolarHBondContact O-CG 3.4Å; T243-K247 PolarHBondContact O-N 2.83Å; K247-L249 VanDerWaalsContact C-N 3.33Å; K247-L249 PolarHBondContact O-N 3.12Å; K247-E250 PolarHBondContact O-N 3.06Å; K247-V251 WeakPolarHBondContact O-CB 3.39Å; K247-V251 VanDerWaalsContact O-CG2 3.27Å; K247-V251 WeakPolarHBondContact O-CG2 3.37Å; K247-V251 PolarHBondContact O-N 3.42Å
248A85.2Confident84.2Confident23 Ų2362.2 Ų62.219%0.1932%0.317CS..Hα-helixtrans-61.3-41.6178.600000112.1L221 D244 L246 A252L221-A248 HydrophobicContact CD1-CB 4.11Å; D244-A248 WeakPolarHBondContact O-CB 3.5Å; D244-A248 PolarHBondContact O-N 3.45Å; L246-A248 VanDerWaalsContact C-N 3.34Å; L246-A248 PolarHBondContact O-N 3.4Å; A248-A252 WeakPolarHBondContact O-CB 3.25Å; A248-A252 PolarHBondContact O-N 2.85Å
249L84.9Confident84.1Confident0 Ų061.2 Ų61.20%031%0.307CS..Hα-helixtrans-69.6-39.1175.6-77177.1000112.7I189 I223 M235 T237 G245 L246 K247 A252 I253 P273I189-L249 HydrophobicContact CB-CD1 4.03Å; I189-L249 HydrophobicContact CG2-CD1 3.47Å; I189-L249 VanDerWaalsContact CG2-CD1 3.47Å; I223-L249 HydrophobicContact CG2-CD2 4.37Å; M235-L249 HydrophobicContact CB-CD2 4.02Å; M235-L249 HydrophobicContact CE-CD2 4.1Å; T237-L249 HydrophobicContact CG2-CD1 3.77Å; T237-L249 HydrophobicContact CG2-CD2 4.37Å; T237-L249 HydrophobicContact CG2-CG 3.86Å; G245-L249 PolarHBondContact O-N 3.27Å; G245-L249 VanDerWaalsContact O-N 3.17Å; L246-L249 PolarHBondContact O-N 3.47Å; K247-L249 VanDerWaalsContact C-N 3.33Å; K247-L249 PolarHBondContact O-N 3.12Å; L249-A252 PolarHBondContact O-N 2.76Å; L249-I253 WeakPolarHBondContact O-CB 3.45Å; L249-I253 WeakPolarHBondContact O-CD1 3.34Å; L249-I253 WeakPolarHBondContact O-CG1 3.44Å; L249-I253 PolarHBondContact O-N 2.62Å; L249-P273 HydrophobicContact CB-CB 3.97Å; L249-P273 HydrophobicContact CB-CG 4.4Å; L249-P273 HydrophobicContact CD1-CB 3.68Å
250E86.7Confident84.2Confident106 Ų10660.9 Ų60.950%0.49531%0.305SS..Hα-helixtrans-60.2-47.3175.3-77174.2-179.400111.6L246 K247 A252 I253 E254 P273L246-E250 WeakPolarHBondContact O-CG 3.4Å; L246-E250 PolarHBondContact O-N 3.1Å; K247-E250 PolarHBondContact O-N 3.06Å; E250-A252 VanDerWaalsContact C-N 3.34Å; E250-A252 PolarHBondContact O-N 3.19Å; E250-I253 PolarHBondContact O-N 3.43Å; E250-E254 WeakPolarHBondContact O-CG 3.47Å; E250-E254 PolarHBondContact O-N 3.19Å; E250-P273 HydrophobicContact CG-CG 4.31Å
251V87.6Confident84.5Confident62 Ų6260.8 Ų60.838%0.37631%0.307SS..Hα-helixtrans-60.4-44.9176172.20000110.6K247 I253 E254 H255K247-V251 WeakPolarHBondContact O-CB 3.39Å; K247-V251 VanDerWaalsContact O-CG2 3.27Å; K247-V251 WeakPolarHBondContact O-CG2 3.37Å; K247-V251 PolarHBondContact O-N 3.42Å; V251-I253 VanDerWaalsContact C-N 3.33Å; V251-I253 PolarHBondContact O-N 2.97Å; V251-E254 PolarHBondContact O-N 2.85Å; V251-H255 PolarHBondContact O-CD2 3.38Å; V251-H255 PolarHBondContact O-N 3.13Å
252A85.9Confident84.8Confident0 Ų061.9 Ų61.90%032%0.315CS..Hα-helixtrans-62.2-40177.500000112.4I223 M235 A248 L249 E250 H255 I256I223-A252 HydrophobicContact CD1-CB 4.18Å; M235-A252 HydrophobicContact CE-CB 3.78Å; A248-A252 WeakPolarHBondContact O-CB 3.25Å; A248-A252 PolarHBondContact O-N 2.85Å; L249-A252 PolarHBondContact O-N 2.76Å; E250-A252 VanDerWaalsContact C-N 3.34Å; E250-A252 PolarHBondContact O-N 3.19Å; A252-H255 PolarHBondContact O-N 3.48Å; A252-I256 WeakPolarHBondContact O-CB 3.12Å; A252-I256 WeakPolarHBondContact O-CD1 3.4Å; A252-I256 WeakPolarHBondContact O-CG1 3.5Å; A252-I256 PolarHBondContact O-N 3.04Å
253I86.9Confident84.8Confident14 Ų1460.1 Ų60.17%0.07231%0.305CS..Hα-helixtrans-63.1-41.8176.1-73.7166.8000111.1A191 I193 M235 L249 E250 V251 I256 R257 F267 V269A191-I253 HydrophobicContact CB-CD1 4.22Å; I193-I253 HydrophobicContact CG2-CG1 4.32Å; M235-I253 HydrophobicContact SD-CG1 4.35Å; L249-I253 WeakPolarHBondContact O-CB 3.45Å; L249-I253 WeakPolarHBondContact O-CD1 3.34Å; L249-I253 WeakPolarHBondContact O-CG1 3.44Å; L249-I253 PolarHBondContact O-N 2.62Å; E250-I253 PolarHBondContact O-N 3.43Å; V251-I253 VanDerWaalsContact C-N 3.33Å; V251-I253 PolarHBondContact O-N 2.97Å; I253-I256 PolarHBondContact O-N 3.26Å; I253-R257 VanDerWaalsContact O-CB 3.29Å; I253-R257 WeakPolarHBondContact O-CB 3.29Å; I253-R257 PolarHBondContact O-N 3.17Å; I253-F267 HydrophobicContact CG2-CE1 3.75Å; I253-F267 HydrophobicContact CG2-CZ 3.96Å; I253-V269 HydrophobicContact CG2-CG2 3.87Å
254E86.8Confident84.6Confident131 Ų13163.3 Ų63.361%0.61232%0.319SS*.Hα-helixtrans-64.2-43.1176.9-73.8-175167.300112.1E250 V251 R257 A258E250-E254 WeakPolarHBondContact O-CG 3.47Å; E250-E254 PolarHBondContact O-N 3.19Å; V251-E254 PolarHBondContact O-N 2.85Å; E254-R257 PolarHBondContact O-N 2.97Å; E254-A258 WeakPolarHBondContact O-CB 3.43Å; E254-A258 PolarHBondContact O-N 3.31Å
255H85.4Confident84.4Confident83 Ų8361 Ų6138%0.38431%0.309SS..Hα-helixtrans-66.6-40.1177.3-81.3-76.3000112.8L216 V251 A252 K259L216-H255 HydrophobicContact CD1-CB 3.7Å; L216-H255 WeakPolarHBondContact CD1-CD2 3.49Å; V251-H255 PolarHBondContact O-CD2 3.38Å; V251-H255 PolarHBondContact O-N 3.13Å; A252-H255 PolarHBondContact O-N 3.48Å; H255-K259 WeakPolarHBondContact O-CB 3.21Å; H255-K259 PolarHBondContact O-N 2.95Å; H255-K259 VanDerWaalsContact O-N 3.13Å
256I86.1Confident84.5Confident0 Ų067.3 Ų67.30%034%0.339CS..Hα-helixtrans-63.4-45.2174.1-68164.9000109.7I193 L210 I225 M235 A252 I253 A258 K259 T260 F267I193-I256 HydrophobicContact CD1-CD1 4.15Å; L210-I256 HydrophobicContact CD2-CD1 4.33Å; I225-I256 HydrophobicContact CD1-CD1 4.23Å; M235-I256 HydrophobicContact CE-CD1 3.88Å; M235-I256 HydrophobicContact SD-CD1 3.75Å; A252-I256 WeakPolarHBondContact O-CB 3.12Å; A252-I256 WeakPolarHBondContact O-CD1 3.4Å; A252-I256 WeakPolarHBondContact O-CG1 3.5Å; A252-I256 PolarHBondContact O-N 3.04Å; I253-I256 PolarHBondContact O-N 3.26Å; I256-A258 PolarHBondContact O-N 3.33Å; I256-K259 PolarHBondContact O-N 3.44Å; I256-T260 WeakPolarHBondContact O-CB 3.35Å; I256-T260 PolarHBondContact O-N 2.83Å; I256-T260 PolarHBondContact O-OG1 2.99Å; I256-F267 HydrophobicContact CB-CE2 4.3Å; I256-F267 HydrophobicContact CG2-CD2 3.8Å; I256-F267 HydrophobicContact CG2-CE2 3.45Å; I256-F267 VanDerWaalsContact CG2-CE2 3.45Å; I256-F267 HydrophobicContact CG2-CZ 4.22Å
257R87.9Confident84.4Confident126 Ų12665.8 Ų65.848%0.47533%0.329SS..Hα-helixtrans-58.8-49.8177.5-178.5-175.1-69.9-178.4-2.3111.8I253 E254 K259 T260 S261 F267I253-R257 VanDerWaalsContact O-CB 3.29Å; I253-R257 WeakPolarHBondContact O-CB 3.29Å; I253-R257 PolarHBondContact O-N 3.17Å; E254-R257 PolarHBondContact O-N 2.97Å; R257-K259 VanDerWaalsContact C-N 3.33Å; R257-K259 PolarHBondContact O-N 2.92Å; R257-T260 PolarHBondContact O-N 2.89Å; R257-S261 PolarHBondContact O-N 3.41Å; R257-S261 PolarHBondContact O-OG 3.22Å; R257-S261 VanDerWaalsContact O-OG 3.11Å; R257-F267 HydrophobicContact CB-CD1 3.9Å; R257-F267 HydrophobicContact CB-CE1 4.26Å; R257-F267 HydrophobicContact CB-CG 4.41Å; R257-F267 HydrophobicContact CG-CD1 4.16Å
258A87.3Confident84.5Confident55 Ų5565.9 Ų65.946%0.45533%0.33SS..Hα-helixtrans-58.7-45.7-179.100000111.6E254 I256 S261 E262E254-A258 WeakPolarHBondContact O-CB 3.43Å; E254-A258 PolarHBondContact O-N 3.31Å; I256-A258 PolarHBondContact O-N 3.33Å; A258-S261 PolarHBondContact O-N 2.88Å; A258-E262 PolarHBondContact O-N 3.25Å
259K83.3Confident84.6Confident24 Ų2467 Ų6710%0.10434%0.335CS..Hα-helixtrans-60.9-47.8174.7-98-93.3-174135.30112.7A208 S209 K212 H255 I256 R257 S261 E262 Y263A208-K259 PolarHBondContact O-NZ 3.03Å; S209-K259 WeakPolarHBondContact OG-CB 3.32Å; K212-K259 HydrophobicContact CB-CG 4.46Å; K212-K259 HydrophobicContact CD-CD 4.23Å; K212-K259 HydrophobicContact CD-CG 4.03Å; K212-K259 HydrophobicContact CG-CD 4.49Å; K212-K259 HydrophobicContact CG-CG 4.48Å; H255-K259 WeakPolarHBondContact O-CB 3.21Å; H255-K259 PolarHBondContact O-N 2.95Å; H255-K259 VanDerWaalsContact O-N 3.13Å; I256-K259 PolarHBondContact O-N 3.44Å; R257-K259 VanDerWaalsContact C-N 3.33Å; R257-K259 PolarHBondContact O-N 2.92Å; K259-S261 VanDerWaalsContact C-N 3.27Å; K259-S261 PolarHBondContact O-N 2.96Å; K259-E262 WeakPolarHBondContact O-CB 3.32Å; K259-E262 PolarHBondContact O-N 3.49Å; K259-E262 VanDerWaalsContact O-N 3.11Å; K259-Y263 HydrophobicContact CD-CE2 4.4Å; K259-Y263 VanDerWaalsContact O-CD2 3.24Å; K259-Y263 WeakPolarHBondContact O-CD2 3.42Å
260T83.5Confident84.6Confident0 Ų071 Ų710%036%0.355CS..Hα-helixtrans-65.9-33-178.4-62.60000111.6C195 S209 I256 R257 E262 Y263 G265 F267C195-T260 PolarHBondContact SG-OG1 3.4Å; C195-T260 VanDerWaalsContact SG-OG1 3.39Å; S209-T260 WeakPolarHBondContact CB-OG1 3.3Å; S209-T260 PolarHBondContact OG-N 2.67Å; S209-T260 PolarHBondContact OG-OG1 2.86Å; I256-T260 WeakPolarHBondContact O-CB 3.35Å; I256-T260 PolarHBondContact O-N 2.83Å; I256-T260 PolarHBondContact O-OG1 2.99Å; R257-T260 PolarHBondContact O-N 2.89Å; T260-E262 VanDerWaalsContact C-N 3.32Å; T260-E262 PolarHBondContact O-N 3Å; T260-Y263 PolarHBondContact O-N 2.75Å; T260-G265 WeakPolarHBondContact O-CA 3.26Å; T260-G265 PolarHBondContact O-N 3.48Å; T260-F267 HydrophobicContact CG2-CB 4.09Å
261S83.6Confident84.5Confident73 Ų7368.4 Ų68.451%0.5134%0.344SS..Hα-helixtrans-68.7-24.6172.9-62.50000114R257 A258 K259 Y263R257-S261 PolarHBondContact O-N 3.41Å; R257-S261 PolarHBondContact O-OG 3.22Å; R257-S261 VanDerWaalsContact O-OG 3.11Å; A258-S261 PolarHBondContact O-N 2.88Å; K259-S261 VanDerWaalsContact C-N 3.27Å; K259-S261 PolarHBondContact O-N 2.96Å; S261-Y263 PolarHBondContact O-N 3.2Å
262E84Confident84.3Confident136 Ų13668.1 Ų68.164%0.63635%0.348SS*.Hα-helixtrans-67.8-24.1174.1-70.5171.4174.800112.6A258 K259 T260A258-E262 PolarHBondContact O-N 3.25Å; K259-E262 WeakPolarHBondContact O-CB 3.32Å; K259-E262 PolarHBondContact O-N 3.49Å; K259-E262 VanDerWaalsContact O-N 3.11Å; T260-E262 VanDerWaalsContact C-N 3.32Å; T260-E262 PolarHBondContact O-N 3Å
263Y79.3Confident84.2Confident92 Ų9269.1 Ų69.136%0.36135%0.354SS..THydrogen-bonded Turntrans-106.620.7-176.9-64.9-84.9000113.4A205 K259 T260 S261 G265A205-Y263 HydrophobicContact CB-CD1 3.72Å; A205-Y263 HydrophobicContact CB-CD2 3.74Å; A205-Y263 HydrophobicContact CB-CE1 4.34Å; A205-Y263 HydrophobicContact CB-CE2 4.39Å; A205-Y263 HydrophobicContact CB-CG 3.39Å; K259-Y263 HydrophobicContact CD-CE2 4.4Å; K259-Y263 VanDerWaalsContact O-CD2 3.24Å; K259-Y263 WeakPolarHBondContact O-CD2 3.42Å; T260-Y263 PolarHBondContact O-N 2.75Å; S261-Y263 PolarHBondContact O-N 3.2Å; Y263-G265 PolarHBondContact O-N 3.22Å
264D79.3Confident84.1Confident150 Ų15074.6 Ų74.680%0.80238%0.377SS*.THydrogen-bonded Turntrans5238.9-174-71.2-30.9000113.1
265G78.6Confident83.9Confident12 Ų1272.1 Ų72.112%0.12437%0.368CS..EExtended strand (participates in β ladder)trans-95.1150.8174.800000113.5S196 T260 Y263S196-G265 CarbonylContact O-C 3.39Å; S196-G265 WeakPolarHBondContact O-CA 3.21Å; T260-G265 WeakPolarHBondContact O-CA 3.26Å; T260-G265 PolarHBondContact O-N 3.48Å; Y263-G265 PolarHBondContact O-N 3.22Å
266E82.7Confident83.7Confident133 Ų13369.6 Ų69.662%0.62136%0.358SS*.EExtended strand (participates in β ladder)trans-90.1130.2168.5-67.4-169.6168.700110.5S196S196-E266 PolarHBondContact N-O 2.91Å; S196-E266 PolarHBondContact O-N 2.93Å
267F82.9Confident83.4Confident30 Ų3073 Ų7313%0.13238%0.379CS..EExtended strand (participates in β ladder)trans-124.5119.4175178.5-92.5000109.9I193 E194 C195 I253 I256 R257 T260 V269I193-F267 HydrophobicContact CB-CE2 3.75Å; I193-F267 HydrophobicContact CB-CZ 3.87Å; I193-F267 HydrophobicContact CD1-CE2 4.08Å; I193-F267 HydrophobicContact CG1-CE2 4.4Å; I193-F267 HydrophobicContact CG2-CE2 4.08Å; I193-F267 HydrophobicContact CG2-CZ 3.69Å; E194-F267 WeakPolarHBondContact O-CA 3.32Å; C195-F267 HydrophobicContact CB-CD2 4.32Å; I253-F267 HydrophobicContact CG2-CE1 3.75Å; I253-F267 HydrophobicContact CG2-CZ 3.96Å; I256-F267 HydrophobicContact CB-CE2 4.3Å; I256-F267 HydrophobicContact CG2-CD2 3.8Å; I256-F267 HydrophobicContact CG2-CE2 3.45Å; I256-F267 VanDerWaalsContact CG2-CE2 3.45Å; I256-F267 HydrophobicContact CG2-CZ 4.22Å; R257-F267 HydrophobicContact CB-CD1 3.9Å; R257-F267 HydrophobicContact CB-CE1 4.26Å; R257-F267 HydrophobicContact CB-CG 4.41Å; R257-F267 HydrophobicContact CG-CD1 4.16Å; T260-F267 HydrophobicContact CG2-CB 4.09Å; F267-V269 HydrophobicContact CD1-CG2 4.44Å; F267-V269 HydrophobicContact CE1-CG2 3.52Å; F267-V269 HydrophobicContact CZ-CG2 4.03Å
268K86.1Confident83Confident134 Ų13470.9 Ų70.958%0.58339%0.389SS*.EExtended strand (participates in β ladder)trans-125.8129.6-179.6-174.6-179.8178.5-173.20110.3E194E194-K268 HydrophobicContact CB-CB 4.18Å; E194-K268 WeakPolarHBondContact CB-O 3.42Å; E194-K268 PolarHBondContact N-O 3.36Å; E194-K268 PolarHBondContact O-N 3.47Å
269V87.2Confident82.7Confident47 Ų4774.1 Ų74.129%0.28540%0.397SS..EExtended strand (participates in β ladder)trans-88.4112.5172.7-177.20000107.3I253 F267 M271I253-V269 HydrophobicContact CG2-CG2 3.87Å; F267-V269 HydrophobicContact CD1-CG2 4.44Å; F267-V269 HydrophobicContact CE1-CG2 3.52Å; F267-V269 HydrophobicContact CZ-CG2 4.03Å; V269-M271 WeakPolarHBondContact CG1-O 3.48Å
270I84.9Confident82.4Confident84 Ų8475.6 Ų75.643%0.43141%0.406SS..EExtended strand (participates in β ladder)trans-79.2-43.9177.7-63.6168.5000109.1D192 E194 L232D192-I270 HydrophobicContact CB-CB 4.33Å; D192-I270 PolarHBondContact O-N 3.45Å; E194-I270 HydrophobicContact CB-CD1 3.99Å; E194-I270 HydrophobicContact CB-CG1 4.29Å; L232-I270 HydrophobicContact CD2-CD1 3.13Å
271M84.4Confident82.1Confident51 Ų5180 Ų8025%0.25143%0.427SS..EExtended strand (participates in β ladder)trans-130.7120.4173.8-56.3-160.8-38.800110.6D192 V269D192-M271 HydrophobicContact CB-CB 3.98Å; D192-M271 HydrophobicContact CB-CE 4.45Å; D192-M271 HydrophobicContact CB-CG 4.18Å; D192-M271 PolarHBondContact N-O 2.97Å; D192-M271 PolarHBondContact O-N 2.85Å; D192-M271 WeakPolarHBondContact OD2-CE 3.24Å; V269-M271 WeakPolarHBondContact CG1-O 3.48Å
272A83.9Confident82Confident56 Ų5679 Ų7946%0.46342%0.423SS..EExtended strand (participates in β ladder)trans-57.515716900000111.1K274A272-K274 PolarHBondContact O-N 3.33Å
273P85.2Confident81.9Confident20 Ų2075 Ų7513%0.1341%0.405CS..EExtended strand (participates in β ladder)trans-55.7115.1-179.423.6-35.3000111.3I189 R190 A191 L246 L249 E250I189-P273 HydrophobicContact CG2-CB 3.99Å; R190-P273 CarbonylContact O-C 3.56Å; R190-P273 VanDerWaalsContact O-CA 3.29Å; R190-P273 WeakPolarHBondContact O-CA 3.44Å; A191-P273 HydrophobicContact CB-CB 4.3Å; L246-P273 HydrophobicContact CD2-CB 3.88Å; L246-P273 HydrophobicContact CD2-CG 4.18Å; L246-P273 WeakPolarHBondContact CD2-O 3.47Å; L249-P273 HydrophobicContact CB-CB 3.97Å; L249-P273 HydrophobicContact CB-CG 4.4Å; L249-P273 HydrophobicContact CD1-CB 3.68Å; E250-P273 HydrophobicContact CG-CG 4.31Å
274K84.4Confident81.6Confident130 Ų13072 Ų7257%0.56540%0.396SS*.EExtended strand (participates in β ladder)trans-122.5151.5179.8-77.3-178.2179.2-176.50111I189 R190 A272 V276I189-K274 CarbonylContact C-O 3.57Å; I189-K274 WeakPolarHBondContact CA-O 3.31Å; I189-K274 WeakPolarHBondContact CG2-O 3.39Å; R190-K274 PolarHBondContact N-O 3.13Å; R190-K274 PolarHBondContact O-N 2.89Å; A272-K274 PolarHBondContact O-N 3.33Å; K274-V276 PolarHBondContact O-N 2.95Å
275L81.8Confident81.7Confident78 Ų7867.3 Ų67.341%0.40838%0.378SS..EExtended strand (participates in β ladder)trans-66125.7171.5-151.678.6000108.7V187 I189 K242 T277V187-L275 HydrophobicContact CB-CD1 3.94Å; V187-L275 HydrophobicContact CG1-CD1 3.16Å; V187-L275 HydrophobicContact CG1-CD2 3.9Å; V187-L275 HydrophobicContact CG1-CG 3.37Å; I189-L275 HydrophobicContact CG1-CD1 4.28Å; K242-L275 HydrophobicContact CG-CD1 4.43Å; L275-T277 PolarHBondContact O-N 2.74Å
276V81.6Confident82Confident31 Ų3174.3 Ų74.319%0.18840%0.4CS..PPolyproline II helixtrans-74.4119.9178.3178.90000108.7K188 R190 K274 D280 E281K188-V276 HydrophobicContact CB-CB 4.06Å; K188-V276 HydrophobicContact CB-CG2 4.05Å; K188-V276 WeakPolarHBondContact O-CB 3.45Å; K188-V276 WeakPolarHBondContact O-CG2 3.4Å; K188-V276 PolarHBondContact O-N 3.22Å; R190-V276 HydrophobicContact CB-CG2 3.43Å; R190-V276 VanDerWaalsContact CB-CG2 3.43Å; K274-V276 PolarHBondContact O-N 2.95Å; V276-D280 HydrophobicContact CG1-CB 4.15Å; V276-E281 HydrophobicContact CG1-CB 4.16Å
277T80.6Confident81.8Confident70 Ų7074 Ų7443%0.42939%0.394SS..PPolyproline II helixtrans-87.8166165.167.40000110.4L275 I279 D280 E281L275-T277 PolarHBondContact O-N 2.74Å; T277-I279 PolarHBondContact O-N 3.36Å; T277-D280 WeakPolarHBondContact CB-OD2 3.44Å; T277-D280 PolarHBondContact N-OD2 3.39Å; T277-D280 PolarHBondContact O-N 3.46Å; T277-D280 VanDerWaalsContact O-N 3.14Å; T277-D280 VanDerWaalsContact OG1-CG 3.26Å; T277-D280 PolarHBondContact OG1-N 3.5Å; T277-D280 PolarHBondContact OG1-OD2 3.4Å; T277-E281 PolarHBondContact O-N 3.41Å
278A78.1Confident81.6Confident83 Ų8374.9 Ų74.969%0.68640%0.4SS*.Hα-helixtrans-59-30.8175.800000112.5E281 A282A278-E281 PolarHBondContact O-N 3.28Å; A278-A282 PolarHBondContact O-N 2.95Å
279I80.6Confident81.4Confident123 Ų12375 Ų7563%0.63140%0.402SS*.Hα-helixtrans-67.7-44.6177.1-58.7171.6000110.1T277 E281 A282 D283T277-I279 PolarHBondContact O-N 3.36Å; I279-E281 VanDerWaalsContact C-N 3.26Å; I279-E281 PolarHBondContact O-N 3.43Å; I279-A282 PolarHBondContact O-N 3.25Å; I279-D283 PolarHBondContact O-N 2.82Å
280D77Confident81.1Confident55 Ų5580.8 Ų80.829%0.29442%0.419SS..Hα-helixtrans-64.2-31.4178.9-60.7-55000112.7V276 T277 L284V276-D280 HydrophobicContact CG1-CB 4.15Å; T277-D280 WeakPolarHBondContact CB-OD2 3.44Å; T277-D280 PolarHBondContact N-OD2 3.39Å; T277-D280 PolarHBondContact O-N 3.46Å; T277-D280 VanDerWaalsContact O-N 3.14Å; T277-D280 VanDerWaalsContact OG1-CG 3.26Å; T277-D280 PolarHBondContact OG1-N 3.5Å; T277-D280 PolarHBondContact OG1-OD2 3.4Å; D280-L284 WeakPolarHBondContact O-CB 3.24Å; D280-L284 PolarHBondContact O-N 3.11Å
281E77.4Confident80.6Confident93 Ų9377 Ų7744%0.43540%0.4SS..Hα-helixtrans-70.9-40.5176.4-166.3165-149.600111.1K188 V276 T277 A278 I279 L284 A285K188-E281 IonicContact NZ-OE1 3.47Å; K188-E281 PolarHBondContact NZ-OE1 3.11Å; V276-E281 HydrophobicContact CG1-CB 4.16Å; T277-E281 PolarHBondContact O-N 3.41Å; A278-E281 PolarHBondContact O-N 3.28Å; I279-E281 VanDerWaalsContact C-N 3.26Å; I279-E281 PolarHBondContact O-N 3.43Å; E281-L284 PolarHBondContact O-N 2.9Å; E281-A285 PolarHBondContact O-N 3.5Å
282A82.6Confident80.1Confident51 Ų5181 Ų8142%0.42142%0.418SS..Hα-helixtrans-65.6-39.2173.300000112.2A278 I279 A285 R286A278-A282 PolarHBondContact O-N 2.95Å; I279-A282 PolarHBondContact O-N 3.25Å; A282-A285 PolarHBondContact O-N 3.02Å; A282-R286 WeakPolarHBondContact O-CG 3.17Å; A282-R286 PolarHBondContact O-N 3.34Å; A282-R286 VanDerWaalsContact O-N 3.1Å
283D82.4Confident79.8Confident51 Ų5181.5 Ų81.527%0.27342%0.423SS..Hα-helixtrans-65.6-40174.4-79.5-17.5000112.6I279 R286 R287I279-D283 PolarHBondContact O-N 2.82Å; D283-R286 PolarHBondContact O-N 3.43Å; D283-R286 IonicContact OD1-CZ 3.63Å; D283-R286 IonicContact OD1-NE 2.62Å; D283-R286 IonicContact OD1-NH2 3.29Å; D283-R286 PolarHBondContact OD1-NH2 3.22Å; D283-R287 WeakPolarHBondContact O-CG 3.48Å; D283-R287 PolarHBondContact O-N 3.39Å
284L72.9Confident79.3Confident30 Ų3086.7 Ų86.716%0.15745%0.445CS..Hα-helixtrans-61.7-47.8174.7-177.252.5000111.4I228 V234 D280 E281 R286 R287 L288I228-L284 HydrophobicContact CD1-CD1 3.67Å; I228-L284 HydrophobicContact CG1-CD1 4.42Å; V234-L284 HydrophobicContact CG2-CD1 4.42Å; D280-L284 WeakPolarHBondContact O-CB 3.24Å; D280-L284 PolarHBondContact O-N 3.11Å; E281-L284 PolarHBondContact O-N 2.9Å; L284-R286 VanDerWaalsContact C-N 3.3Å; L284-R286 PolarHBondContact O-N 3.06Å; L284-R287 PolarHBondContact O-N 2.88Å; L284-R287 VanDerWaalsContact O-N 3.12Å; L284-L288 HydrophobicContact CD1-CD1 4.06Å; L284-L288 HydrophobicContact CD1-CG 4.15Å; L284-L288 HydrophobicContact CG-CD1 3.88Å; L284-L288 HydrophobicContact CG-CG 4.43Å; L284-L288 WeakPolarHBondContact O-CG 3.27Å; L284-L288 PolarHBondContact O-N 3.44Å
285A81.2Confident78.5Confident52 Ų5285.4 Ų85.443%0.4345%0.445SS..Hα-helixtrans-57.8-4518000000111E281 A282 R287 L288 E289E281-A285 PolarHBondContact O-N 3.5Å; A282-A285 PolarHBondContact O-N 3.02Å; A285-R287 VanDerWaalsContact C-N 3.35Å; A285-R287 PolarHBondContact O-N 3.44Å; A285-L288 PolarHBondContact O-N 2.92Å; A285-E289 WeakPolarHBondContact O-CB 3.48Å; A285-E289 PolarHBondContact O-N 2.91Å
286R84.2Confident77.9Confident158 Ų15884.5 Ų84.560%0.59645%0.448SS*.Hα-helixtrans-61.7-39175.4-73.7-171.3-71.9-169.7-6.4113.2A282 D283 L284 R290A282-R286 WeakPolarHBondContact O-CG 3.17Å; A282-R286 PolarHBondContact O-N 3.34Å; A282-R286 VanDerWaalsContact O-N 3.1Å; D283-R286 PolarHBondContact O-N 3.43Å; D283-R286 IonicContact OD1-CZ 3.63Å; D283-R286 IonicContact OD1-NE 2.62Å; D283-R286 IonicContact OD1-NH2 3.29Å; D283-R286 PolarHBondContact OD1-NH2 3.22Å; L284-R286 VanDerWaalsContact C-N 3.3Å; L284-R286 PolarHBondContact O-N 3.06Å; R286-R290 VanDerWaalsContact O-CB 3.25Å; R286-R290 WeakPolarHBondContact O-CB 3.39Å; R286-R290 PolarHBondContact O-N 3.01Å
287R79.1Confident77.1Confident128 Ų12892.1 Ų92.148%0.48348%0.482SS..Hα-helixtrans-69.4-38.8176.6-73.4-175.2-171.3166.17.2112.3D192 I228 D283 L284 A285 A291D192-R287 IonicContact OD2-NH1 3.45Å; I228-R287 HydrophobicContact CG2-CB 4.47Å; D283-R287 WeakPolarHBondContact O-CG 3.48Å; D283-R287 PolarHBondContact O-N 3.39Å; L284-R287 PolarHBondContact O-N 2.88Å; L284-R287 VanDerWaalsContact O-N 3.12Å; A285-R287 VanDerWaalsContact C-N 3.35Å; A285-R287 PolarHBondContact O-N 3.44Å; R287-A291 VanDerWaalsContact O-CB 3.26Å; R287-A291 WeakPolarHBondContact O-CB 3.38Å; R287-A291 PolarHBondContact O-N 2.75Å
288L78.1Confident76.3Confident48 Ų4895.2 Ų95.225%0.25150%0.5SS..Hα-helixtrans-65.1-48.8175.2-76.9167000110.7I228 L284 A285 R290 A291 E292I228-L288 HydrophobicContact CB-CD2 4.49Å; I228-L288 HydrophobicContact CG1-CD2 3.89Å; I228-L288 HydrophobicContact CG1-CG 4.46Å; L284-L288 HydrophobicContact CD1-CD1 4.06Å; L284-L288 HydrophobicContact CD1-CG 4.15Å; L284-L288 HydrophobicContact CG-CD1 3.88Å; L284-L288 HydrophobicContact CG-CG 4.43Å; L284-L288 WeakPolarHBondContact O-CG 3.27Å; L284-L288 PolarHBondContact O-N 3.44Å; A285-L288 PolarHBondContact O-N 2.92Å; L288-R290 VanDerWaalsContact C-N 3.35Å; L288-R290 PolarHBondContact O-N 3.42Å; L288-A291 PolarHBondContact O-N 2.97Å; L288-E292 WeakPolarHBondContact O-CB 3.23Å; L288-E292 WeakPolarHBondContact O-CG 3.24Å; L288-E292 PolarHBondContact O-N 3.46Å
289E82.1Confident75.2Confident135 Ų13595.2 Ų95.263%0.63150%0.5SS*.Hα-helixtrans-61.6-42.5178.5-176.7178.9-166.700111.8A285 E292 A293A285-E289 WeakPolarHBondContact O-CB 3.48Å; A285-E289 PolarHBondContact O-N 2.91Å; E289-E292 PolarHBondContact O-N 3.37Å; E289-A293 VanDerWaalsContact O-CB 3.31Å; E289-A293 WeakPolarHBondContact O-CB 3.47Å; E289-A293 PolarHBondContact O-N 2.82Å
290R81.1Confident74.4Confident169 Ų16992.8 Ų92.864%0.63851%0.505SS*.Hα-helixtrans-63-44175.1-178.9175.4175.7165.22.4111.8R286 L288 E292 A293 E294R286-R290 VanDerWaalsContact O-CB 3.25Å; R286-R290 WeakPolarHBondContact O-CB 3.39Å; R286-R290 PolarHBondContact O-N 3.01Å; L288-R290 VanDerWaalsContact C-N 3.35Å; L288-R290 PolarHBondContact O-N 3.42Å; R290-E292 VanDerWaalsContact C-N 3.35Å; R290-A293 PolarHBondContact O-N 3.16Å; R290-E294 HydrophobicContact CG-CG 4.47Å; R290-E294 WeakPolarHBondContact CG-OE1 3.37Å; R290-E294 IonicContact CZ-OE1 3.56Å; R290-E294 IonicContact NE-OE1 2.82Å; R290-E294 PolarHBondContact NE-OE1 2.91Å; R290-E294 IonicContact NH2-OE1 3.37Å; R290-E294 PolarHBondContact NH2-OE1 3.28Å; R290-E294 WeakPolarHBondContact O-CB 3.31Å; R290-E294 WeakPolarHBondContact O-CG 3.37Å; R290-E294 PolarHBondContact O-N 3.05Å
291A73.3Confident73.4Confident6 Ų696.7 Ų96.75%0.0553%0.526CS..Hα-helixtrans-67.7-37.2178.100000111.6I228 A229 R287 L288 E294 N295I228-A291 HydrophobicContact CG2-CB 3.83Å; I228-A291 VanDerWaalsContact O-CB 3.3Å; I228-A291 WeakPolarHBondContact O-CB 3.4Å; A229-A291 HydrophobicContact CB-CB 4.46Å; R287-A291 VanDerWaalsContact O-CB 3.26Å; R287-A291 WeakPolarHBondContact O-CB 3.38Å; R287-A291 PolarHBondContact O-N 2.75Å; L288-A291 PolarHBondContact O-N 2.97Å; A291-E294 PolarHBondContact O-N 2.8Å; A291-N295 WeakPolarHBondContact O-CB 3.17Å; A291-N295 PolarHBondContact O-N 2.64Å; A291-N295 PolarHBondContact O-ND2 3.01Å
292E74.7Confident72Confident133 Ų13399.4 Ų99.462%0.62154%0.544SS*.Hα-helixtrans-64.4-40.9172.7-76.6177.9-175.700111.2L288 E289 R290 N295 A296L288-E292 WeakPolarHBondContact O-CB 3.23Å; L288-E292 WeakPolarHBondContact O-CG 3.24Å; L288-E292 PolarHBondContact O-N 3.46Å; E289-E292 PolarHBondContact O-N 3.37Å; R290-E292 VanDerWaalsContact C-N 3.35Å; E292-N295 CarbonylContact O-C 3.51Å; E292-N295 PolarHBondContact O-N 3.49Å; E292-A296 WeakPolarHBondContact O-CA 3.38Å; E292-A296 VanDerWaalsContact O-CB 3.24Å; E292-A296 WeakPolarHBondContact O-CB 3.48Å; E292-A296 PolarHBondContact O-N 3.46Å
293A77.8Confident70.3Confident68 Ų68103.5 Ų103.556%0.56256%0.558SS**Hα-helixtrans-67.5-38.6176.300000112.6E289 R290 N295E289-A293 VanDerWaalsContact O-CB 3.31Å; E289-A293 WeakPolarHBondContact O-CB 3.47Å; E289-A293 PolarHBondContact O-N 2.82Å; R290-A293 PolarHBondContact O-N 3.16Å; A293-N295 VanDerWaalsContact C-N 3.34Å
294E74.5Confident68.7Low129 Ų129110.5 Ų110.560%0.60359%0.59SS**Hα-helixtrans-71.6-29.6175.5-72.3173.4-174.400111.8R290 A291R290-E294 HydrophobicContact CG-CG 4.47Å; R290-E294 WeakPolarHBondContact CG-OE1 3.37Å; R290-E294 IonicContact CZ-OE1 3.56Å; R290-E294 IonicContact NE-OE1 2.82Å; R290-E294 PolarHBondContact NE-OE1 2.91Å; R290-E294 IonicContact NH2-OE1 3.37Å; R290-E294 PolarHBondContact NH2-OE1 3.28Å; R290-E294 WeakPolarHBondContact O-CB 3.31Å; R290-E294 WeakPolarHBondContact O-CG 3.37Å; R290-E294 PolarHBondContact O-N 3.05Å; A291-E294 PolarHBondContact O-N 2.8Å
295N67.7Low67.1Low103 Ų103117.3 Ų117.355%0.55162%0.621SS**Hα-helixtrans-91.5-10.9176.2-68.5-38.5000113.8A291 E292 A293 Q297A291-N295 WeakPolarHBondContact O-CB 3.17Å; A291-N295 PolarHBondContact O-N 2.64Å; A291-N295 PolarHBondContact O-ND2 3.01Å; E292-N295 CarbonylContact O-C 3.51Å; E292-N295 PolarHBondContact O-N 3.49Å; A293-N295 VanDerWaalsContact C-N 3.34Å; N295-Q297 PolarHBondContact O-N 3.3Å; N295-Q297 VanDerWaalsContact O-N 3.13Å
296A69.3Low65.2Low58 Ų58123 Ų12348%0.47964%0.644SS.*SBendtrans-65.6114.7176.200000107.5E292 V298E292-A296 WeakPolarHBondContact O-CA 3.38Å; E292-A296 VanDerWaalsContact O-CB 3.24Å; E292-A296 WeakPolarHBondContact O-CB 3.48Å; E292-A296 PolarHBondContact O-N 3.46Å; A296-V298 PolarHBondContact O-N 3.41Å
297Q65Low63.3Low192 Ų192119.1 Ų119.190%0.89765%0.653SS**  trans-58.7108.7-177.6-64.9173.312.300109.3N295 A299N295-Q297 PolarHBondContact O-N 3.3Å; N295-Q297 VanDerWaalsContact O-N 3.13Å; Q297-A299 PolarHBondContact O-N 3Å
298V62.9Low61.4Low135 Ų135117.2 Ų117.282%0.81867%0.665SS**  trans-74.3117157.8179.80000105.3A296 G300A296-V298 PolarHBondContact O-N 3.41Å; V298-G300 PolarHBondContact O-N 3.25Å
299A56.5Low59.3Low82 Ų82122.4 Ų122.468%0.67869%0.692SS**  trans-61.7101.4172.100000107.9Q297 D301Q297-A299 PolarHBondContact O-N 3Å; A299-D301 PolarHBondContact O-N 2.74Å
300G62.7Low57.3Low72 Ų72125 Ų12574%0.74271%0.705SS**THydrogen-bonded Turntrans-8625-175.500000114.1V298V298-G300 PolarHBondContact O-N 3.25Å
301D56.5Low55.3Low137 Ų137126.5 Ų126.573%0.73372%0.719SS**THydrogen-bonded Turntrans-148.933.6-171.2-121.120.1000112.8A299 D303A299-D301 PolarHBondContact O-N 2.74Å; D301-D303 VanDerWaalsContact C-N 3.34Å; D301-D303 PolarHBondContact O-N 2.92Å
302D46.6Very low53.6Low150 Ų150129.6 Ų129.680%0.80275%0.751SS**  trans-91.679.6153.4-83-20.4000107.3E304D302-E304 VanDerWaalsContact C-N 3.31Å; D302-E304 PolarHBondContact O-N 3.16Å
303D48.2Very low52Low137 Ų137132.1 Ų132.173%0.73377%0.765SS**  trans-62.994.9159.7-78.2-36.6000107.7D301 E305D301-D303 VanDerWaalsContact C-N 3.34Å; D301-D303 PolarHBondContact O-N 2.92Å; D303-E305 PolarHBondContact O-N 2.9Å
304E48.3Very low50.1Low198 Ų198137.6 Ų137.693%0.92578%0.779SS**  trans-66.977.7157.4-82.3-172.5163.600108.5D302D302-E304 VanDerWaalsContact C-N 3.31Å; D302-E304 PolarHBondContact O-N 3.16Å
305E40.4Very low48.2Very low173 Ų173140.7 Ų140.781%0.80879%0.791SS**  trans-111.263.6165-155.7179-140.900108.9D303D303-E305 PolarHBondContact O-N 2.9Å
306D41Very low47.3Very low173 Ų173142.2 Ų142.293%0.92580%0.799SS**  trans-161.4106.9166.8-94.5-33.2000111.1
307G42.6Very low45.9Very low76 Ų76144.4 Ų144.478%0.78481%0.809SS**  trans147.572.3160.200000118.4
308A39.6Very low44.7Very low88 Ų88143 Ų14373%0.72780%0.802SS**  trans41.8111.9136.800000120.1
309D35.4Very low43.6Very low156 Ų156146.8 Ų146.883%0.83481%0.807SS**SBend36112.5117.8-47.5-18.7000118.6
310Q39.5Very low42.6Very low190 Ų190150.9 Ų150.989%0.88881%0.813SS**  trans42.9104.9148-73.2179.611.100118.3
311E38.3Very low41.2Very low201 Ų201156.5 Ų156.594%0.93982%0.817SS**  trans-163.9131.2135.3-113170.1-164.900112.4
312G39.2Very low40.2Very low70 Ų70156 Ų15672%0.72281%0.814SS**  trans71.399.2151.400000118
313M40.7Very low39.9Very low187 Ų187158.2 Ų158.292%0.92182%0.819SS**  32.5100.991.1-80.5-178.7173.700114.9
314Q37.9Very low39.3Very low182 Ų182159.5 Ų159.585%0.8582%0.818SS**  -166.4120.9105.7-103.315520.700111.8D316Q314-D316 PolarHBondContact O-N 3.26Å
315F34.4Very low38.5Very low195 Ų195153.5 Ų153.586%0.85581%0.809SS**  trans-75.6111.8167.2-148.5-94.2000106.2P317F315-P317 HydrophobicContact CD1-CG 4.38Å; F315-P317 WeakPolarHBondContact O-CD 3.47Å
316D48.2Very low38.4Very low135 Ų135151.3 Ų151.372%0.72281%0.813SS**  trans-111.993.9172.8-111.8-27.2000109.3Q314 E318Q314-D316 PolarHBondContact O-N 3.26Å; D316-E318 PolarHBondContact O-N 2.9Å; D316-E318 VanDerWaalsContact O-N 3.17Å
317P39.9Very low37.9Very low104 Ų104146.6 Ų146.668%0.67581%0.805SS**  trans-86.454.2172.937.4-31.6000109.7F315F315-P317 HydrophobicContact CD1-CG 4.38Å; F315-P317 WeakPolarHBondContact O-CD 3.47Å
318E39.7Very low37.7Very low163 Ų163148.3 Ų148.376%0.76281%0.812SS**  trans-147.159.8178.9-72.1-166.9162.300112.2D316D316-E318 PolarHBondContact O-N 2.9Å; D316-E318 VanDerWaalsContact O-N 3.17Å
319K41Very low37.5Very low214 Ų214147.7 Ų147.793%0.9381%0.814SS**  trans-136.640.6156-79.6-170-178168.60111.9
320E34Very low37.5Very low168 Ų168152.4 Ų152.479%0.78582%0.82SS**SBendtrans-105.9144.1149-78.4-169.7145.800107.4
321F33.6Very low37.5Very low190 Ų190147.4 Ų147.483%0.83381%0.812SS**  trans77.599.6-175.8-65.4-95.2000116.4
322N35Very low37.3Very low126 Ų126143.9 Ų143.967%0.67480%0.799SS**  -178.192.697.6-157.616.3000111.8K324N322-K324 VanDerWaalsContact OD1-CG 3.3Å; N322-K324 WeakPolarHBondContact OD1-CG 3.28Å; N322-K324 PolarHBondContact OD1-N 2.88Å
323H40.7Very low37.3Very low196 Ų196150.4 Ų150.491%0.90781%0.811SS**  trans-12777138-150-36.2000108.2
324K36.2Very low37.2Very low165 Ų165148.6 Ų148.672%0.71780%0.8SS**  trans-60.3139.6164.9-81.7174.5176.4175.60110.3N322N322-K324 VanDerWaalsContact OD1-CG 3.3Å; N322-K324 WeakPolarHBondContact OD1-CG 3.28Å; N322-K324 PolarHBondContact OD1-N 2.88Å
325G30.6Very low37.1Very low71 Ų71146.5 Ų146.573%0.73280%0.795SS**  105.177.6120.100000118.4
326S38.3Very low37.5Very low128 Ų128146.4 Ų146.490%0.89580%0.797SS**  176.3126.7129.539.40000106.7
327G31.4Very low37Very low73 Ų73148.3 Ų148.375%0.75380%0.802SS**  cis123.695.721.200000108.1
328A37.7Very low37.2Very low113 Ų113152.1 Ų152.193%0.93481%0.81SS**  trans83.1135.3159.300000120.2
329G35.6Very low37.4Very low74 Ų74152.5 Ų152.576%0.76381%0.812SS**  trans11871.7153.100000114.5
330R35.3Very low37.3Very low255 Ų255151.6 Ų151.696%0.96281%0.811SS**  57.5122.893-115.1-179.3-177.6161.9-0.6115.1
331A39.8Very low37.7Very low86 Ų86154.5 Ų154.571%0.71183%0.832SS**  trans104.8114.6142.600000117.9
332N33.8Very low37.9Very low127 Ų127152.8 Ų152.868%0.67983%0.832SS**  trans66107136.4-64.918.9000119.1
333E40.2Very low38.1Very low207 Ų207154.2 Ų154.297%0.96784%0.841SS**  trans-135.594134.3-103.8161.8-168.700106.5
334E38.6Very low37.9Very low148 Ų148151.8 Ų151.869%0.69284%0.837SS**  trans-79.2137.5163.3-70.9170.2161.500107.4
335D35.6Very low38Very low139 Ų139151.1 Ų151.174%0.74384%0.844SS**  trans53.197142.2-52.1-25.8000118.6
336E41.6Very low38.5Very low193 Ų193156.1 Ų156.190%0.90285%0.851SS**  trans-111.475.9144.8-77.4-174.8171.200108.5
337E38.9Very low38.5Very low175 Ų175157.9 Ų157.982%0.81885%0.848SS**  trans-77.8104.7144.5-73.2-178.5164.500106.4
338E44.2Very low39Very low183 Ų183164 Ų16486%0.85586%0.855SS**  trans-98.9105.3157.1-79.9-165.5158.300108.1
339E42.4Very low39.1Very low172 Ų172167.9 Ų167.980%0.80485%0.849SS**  trans-57.5132.2168.6-70.2174.6139.700111
340E40.5Very low39.4Very low195 Ų195175.8 Ų175.891%0.91186%0.856SS**  trans-73.1127.2150.4-70.4179.5153.400108.4
341D42.4Very low39.8Very low229 Ų229168.5 Ų168.5100%1.22585%0.846SS**  trans-134.30162.1-112.9-5.7000109

Retrieved 341 of 341 residues in 192.5 ms (Link to these results)

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