G4LZI3_SCHMA Loading...

Universal stress protein G, putative

AlphaFold DB , UniProt , Accession G4LZI3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 184 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
1M37.2Very low41Very low240 Ų240133.8 Ų133.8100%1.18274%0.739SS**  0114.40-68.9167.291.800105.2E3M1-E3 PolarHBondContact O-N 2.84Å
2S39Very low44.6Very low115 Ų115124.1 Ų124.180%0.80469%0.692SS**  trans-68.1111.1-177.352.40000108.7T4S2-T4 PolarHBondContact O-N 2.58Å
3E34.4Very low48.1Very low185 Ų185121.7 Ų121.786%0.86468%0.676SS**  trans-59.2105.4165.9-73.5171.1172.800106.8M1 E5M1-E3 PolarHBondContact O-N 2.84Å; E3-E5 PolarHBondContact O-N 3.28Å
4T38.2Very low51.3Low114 Ų114117.6 Ų117.670%0.69965%0.653SS**  trans-59.5107.8164.841.60000106.1S2 Q6S2-T4 PolarHBondContact O-N 2.58Å; T4-Q6 VanDerWaalsContact C-N 3.32Å; T4-Q6 PolarHBondContact O-N 3.31Å
5E31.6Very low54Low189 Ų189111.8 Ų111.888%0.88362%0.62SS**  trans-43.1102.6164.2-90.5172.6149.800107.5E3 P7E3-E5 PolarHBondContact O-N 3.28Å; E5-P7 WeakPolarHBondContact O-CD 3.49Å
6Q30.2Very low56.4Low148 Ų148105.9 Ų105.969%0.69259%0.592SS**PPolyproline II helixtrans-65.9118.7166.5-68.3-105.3-60.900104.3T4 S8T4-Q6 VanDerWaalsContact C-N 3.32Å; T4-Q6 PolarHBondContact O-N 3.31Å; Q6-S8 PolarHBondContact O-N 3.13Å
7P32.9Very low58.7Low111 Ų111105.1 Ų105.172%0.72158%0.583SS**PPolyproline II helixtrans-57116.9174.720.7-29000106.9E5 T9E5-P7 WeakPolarHBondContact O-CD 3.49Å; P7-T9 PolarHBondContact O-N 3.11Å
8S35.6Very low60.8Low70 Ų7099.5 Ų99.549%0.4955%0.552SS.*PPolyproline II helixtrans-51.6119.4172.447.20000107.3Q6 S10 D11Q6-S8 PolarHBondContact O-N 3.13Å; S8-S10 PolarHBondContact O-N 3.22Å; S8-D11 PolarHBondContact O-N 2.92Å
9T48.4Very low62.4Low144 Ų144105.3 Ų105.388%0.88357%0.571SS**THydrogen-bonded Turntrans-58.6-7.7-174.351.30000114.2P7P7-T9 PolarHBondContact O-N 3.11Å
10S54.9Low63.9Low47 Ų47101.2 Ų101.233%0.32955%0.554SS.*THydrogen-bonded Turntrans-77.1-39.4174.758.90000113.2S8 R132S8-S10 PolarHBondContact O-N 3.22Å; S10-R132 PolarHBondContact O-NH1 3.22Å
11D69Low65.3Low109 Ų109101.2 Ų101.258%0.58356%0.557SS**SBendtrans-108.792.3-166.9-64.815.4000106.8S8S8-D11 PolarHBondContact O-N 2.92Å
12G83.9Confident68.1Low17 Ų1791.8 Ų91.818%0.17551%0.511CS..  trans-48.3158.6176.300000112.5D14 I120 H121G12-D14 PolarHBondContact O-N 2.93Å; G12-I120 CarbonylContact C-O 3.56Å; G12-I120 VanDerWaalsContact C-O 3.32Å; G12-I120 VanDerWaalsContact CA-O 3.23Å; G12-I120 WeakPolarHBondContact CA-O 3.46Å; G12-H121 VanDerWaalsContact CA-CE1 3.49Å; G12-H121 WeakPolarHBondContact CA-CE1 3.47Å; G12-H121 WeakPolarHBondContact CA-ND1 3.22Å; G12-H121 PolarHBondContact N-CE1 3.19Å; G12-H121 PolarHBondContact N-ND1 2.55Å
13L90.5Very high70.7Confident93 Ų9388.2 Ų88.249%0.48749%0.486SS..EExtended strand (participates in β ladder)trans-59.4109.5178.8178.166.6000110I15 V95 T119 I120L13-I15 HydrophobicContact CD2-CG2 3.95Å; L13-I15 HydrophobicContact CG-CG2 3.89Å; L13-I15 PolarHBondContact O-N 2.73Å; L13-V95 HydrophobicContact CD2-CG2 4.03Å; L13-T119 CarbonylContact O-C 3.46Å; L13-T119 WeakPolarHBondContact O-CA 3.32Å; L13-I120 HydrophobicContact CB-CB 4.4Å; L13-I120 PolarHBondContact N-O 2.92Å; L13-I120 PolarHBondContact O-N 2.83Å
14D92.1Very high73.6Confident65 Ų6579.8 Ų79.835%0.34845%0.447SS..EExtended strand (participates in β ladder)trans-68.6120.1169.9-167.2-16.6000109.4G12 G16 R117 T119G12-D14 PolarHBondContact O-N 2.93Å; D14-G16 WeakPolarHBondContact OD1-CA 3.16Å; D14-G16 PolarHBondContact OD1-N 3Å; D14-R117 IonicContact OD2-CZ 2.96Å; D14-R117 IonicContact OD2-NE 2.69Å; D14-R117 PolarHBondContact OD2-NE 2.93Å; D14-R117 IonicContact OD2-NH2 3.61Å; D14-R117 PolarHBondContact OD2-NH2 2.83Å; D14-T119 HydrophobicContact CB-CG2 4.45Å
15I91.9Very high76.2Confident30 Ų3080.3 Ų80.315%0.15445%0.45CS..EExtended strand (participates in β ladder)trans-109.78.1176.661.3164.6000112.1L13 R102 F118 I120L13-I15 HydrophobicContact CD2-CG2 3.95Å; L13-I15 HydrophobicContact CG-CG2 3.89Å; L13-I15 PolarHBondContact O-N 2.73Å; I15-R102 HydrophobicContact CD1-CB 3.65Å; I15-R102 HydrophobicContact CD1-CG 4.16Å; I15-R102 HydrophobicContact CG1-CB 4.43Å; I15-R102 HydrophobicContact CG1-CG 4.43Å; I15-R102 WeakPolarHBondContact O-CD 3.35Å; I15-R102 PolarHBondContact O-NE 3.23Å; I15-F118 HydrophobicContact CD1-CD1 3.39Å; I15-F118 HydrophobicContact CD1-CE1 3.73Å; I15-F118 HydrophobicContact CD1-CG 4.07Å; I15-F118 HydrophobicContact CG1-CB 4.01Å; I15-F118 HydrophobicContact CG1-CD1 3.49Å; I15-F118 VanDerWaalsContact CG1-CD1 3.49Å; I15-F118 HydrophobicContact CG1-CE1 4.3Å; I15-F118 HydrophobicContact CG1-CG 4.03Å; I15-F118 WeakPolarHBondContact CG1-O 3.35Å; I15-F118 PolarHBondContact N-O 2.8Å; I15-I120 HydrophobicContact CD1-CD1 3.99Å; I15-I120 HydrophobicContact CD1-CG1 4.04Å; I15-I120 HydrophobicContact CG1-CG1 4.43Å; I15-I120 HydrophobicContact CG2-CD1 4Å; I15-I120 HydrophobicContact CG2-CG1 4.3Å
16G93.3Very high79.3Confident18 Ų1876.6 Ų76.619%0.18644%0.437CS..EExtended strand (participates in β ladder)trans137.1174163.200000114.3D14 F106 F118D14-G16 WeakPolarHBondContact OD1-CA 3.16Å; D14-G16 PolarHBondContact OD1-N 3Å; G16-F106 VanDerWaalsContact O-CZ 3.27Å; G16-F106 WeakPolarHBondContact O-CZ 3.21Å; G16-F118 PolarHBondContact O-N 2.83Å
17E95.6Very high82.5Confident92 Ų9270.4 Ų70.443%0.4341%0.41SS..EExtended strand (participates in β ladder)trans-134.2143.6-179.7-173.8174132.200109.7M24 A116 R117E17-M24 HydrophobicContact CG-CG 3.84Å; E17-M24 VanDerWaalsContact OE1-CG 3.25Å; E17-M24 WeakPolarHBondContact OE1-CG 3.33Å; E17-A116 CarbonylContact C-O 3.56Å; E17-A116 VanDerWaalsContact CA-O 3.25Å; E17-A116 WeakPolarHBondContact CA-O 3.4Å; E17-R117 HydrophobicContact CG-CB 4.44Å
18T95.9Very high85.6Confident4 Ų469.9 Ų69.93%0.02541%0.406CS..  trans-80.8149172.6630000110.5G20 F106 C109 E110 L114 S115 A116T18-G20 PolarHBondContact O-N 2.74Å; T18-F106 HydrophobicContact CG2-CB 4.05Å; T18-F106 HydrophobicContact CG2-CD1 3.95Å; T18-F106 HydrophobicContact CG2-CD2 3.45Å; T18-F106 VanDerWaalsContact CG2-CD2 3.45Å; T18-F106 HydrophobicContact CG2-CE1 4.14Å; T18-F106 HydrophobicContact CG2-CE2 3.69Å; T18-F106 HydrophobicContact CG2-CG 3.58Å; T18-F106 HydrophobicContact CG2-CZ 4.02Å; T18-C109 HydrophobicContact CG2-CB 4.12Å; T18-E110 HydrophobicContact CG2-CG 3.71Å; T18-L114 PolarHBondContact OG1-O 3.39Å; T18-S115 WeakPolarHBondContact OG1-CA 3.45Å; T18-A116 HydrophobicContact CG2-CB 4.24Å; T18-A116 PolarHBondContact N-O 3.33Å; T18-A116 PolarHBondContact OG1-N 2.94Å
19K91.5Very high88.5Confident210 Ų21068.8 Ų68.891%0.91339%0.391SS*.  trans-86.779.7169.6-68.7-175.5-180-178.80109.6
20G92Very high90.9Very high23 Ų2364.8 Ų64.824%0.23736%0.361CS..  trans-78.2-175.9174.100000113.1T18 I22 G113 S115T18-G20 PolarHBondContact O-N 2.74Å; G20-I22 VanDerWaalsContact C-N 3.27Å; G20-I22 PolarHBondContact O-N 3.06Å; G20-G113 CarbonylContact C-O 3.56Å; G20-G113 WeakPolarHBondContact CA-O 3.23Å; G20-S115 WeakPolarHBondContact CA-OG 3.49Å; G20-S115 PolarHBondContact N-OG 3.5Å
21T93.8Very high93Very high101 Ų10162.6 Ų62.662%0.6235%0.346SS*.SBendtrans-67.5-28.1-175.3-54.30000112.7I55 G113T21-I55 HydrophobicContact CG2-CG1 4.37Å; T21-G113 PolarHBondContact N-O 3.39Å; T21-G113 PolarHBondContact OG1-O 3.21Å; T21-G113 VanDerWaalsContact OG1-O 3.13Å
22I94.7Very high94.4Very high42 Ų4257.4 Ų57.422%0.21532%0.318CS..SBendtrans-126.3157.3174.959.7155.5000109.5G20 A27 T56 S115G20-I22 VanDerWaalsContact C-N 3.27Å; G20-I22 PolarHBondContact O-N 3.06Å; I22-A27 HydrophobicContact CD1-CB 4.29Å; I22-T56 VanDerWaalsContact CD1-CA 3.5Å; I22-T56 WeakPolarHBondContact CD1-O 3.47Å; I22-S115 WeakPolarHBondContact O-CB 3.5Å; I22-S115 PolarHBondContact O-OG 2.49Å
23S94.9Very high95.1Very high40 Ų4056.6 Ų56.628%0.2831%0.31SS..  trans-71.4159.5174.775.10000111.6T25 D26 A27S23-T25 PolarHBondContact O-N 3.02Å; S23-T25 PolarHBondContact OG-N 2.83Å; S23-T25 PolarHBondContact OG-OG1 3.35Å; S23-D26 WeakPolarHBondContact CB-OD2 3.43Å; S23-D26 PolarHBondContact O-N 3.07Å; S23-D26 VanDerWaalsContact O-N 3.13Å; S23-D26 WeakPolarHBondContact OG-CB 3.49Å; S23-D26 PolarHBondContact OG-N 3.13Å; S23-D26 PolarHBondContact OG-OD2 2.87Å; S23-A27 PolarHBondContact O-N 2.92Å
24M94.8Very high95.5Very high8 Ų852.8 Ų52.84%0.03929%0.29CS..THydrogen-bonded Turntrans-59-26.9171.9-73.9-64-67.800112.9E17 A27 Y60 S115 R117E17-M24 HydrophobicContact CG-CG 3.84Å; E17-M24 VanDerWaalsContact OE1-CG 3.25Å; E17-M24 WeakPolarHBondContact OE1-CG 3.33Å; M24-A27 WeakPolarHBondContact O-CB 3.46Å; M24-Y60 HydrophobicContact CE-CD1 4.2Å; M24-Y60 HydrophobicContact CE-CD2 3.84Å; M24-Y60 HydrophobicContact CE-CE1 3.86Å; M24-Y60 HydrophobicContact CE-CE2 3.45Å; M24-Y60 VanDerWaalsContact CE-CE2 3.45Å; M24-Y60 HydrophobicContact CE-CG 4.19Å; M24-Y60 VanDerWaalsContact CE-CZ 3.47Å; M24-S115 VanDerWaalsContact SD-C 3.5Å; M24-S115 VanDerWaalsContact SD-O 3.42Å; M24-R117 HydrophobicContact CE-CB 3.89Å
25T93.6Very high95.7Very high125 Ų12550 Ų5077%0.76728%0.276SS*.THydrogen-bonded Turntrans-79.2-26.8177.346.90000113.3S23 A27S23-T25 PolarHBondContact O-N 3.02Å; S23-T25 PolarHBondContact OG-N 2.83Å; S23-T25 PolarHBondContact OG-OG1 3.35Å; T25-A27 VanDerWaalsContact C-N 3.31Å
26D96.4Very high95.8Very high112 Ų11250.2 Ų50.260%0.59928%0.277SS*.SBendtrans-90.12.4177.6-57.9-42.9000112.7S23 T28S23-D26 WeakPolarHBondContact CB-OD2 3.43Å; S23-D26 PolarHBondContact O-N 3.07Å; S23-D26 VanDerWaalsContact O-N 3.13Å; S23-D26 WeakPolarHBondContact OG-CB 3.49Å; S23-D26 PolarHBondContact OG-N 3.13Å; S23-D26 PolarHBondContact OG-OD2 2.87Å; D26-T28 PolarHBondContact O-N 2.9Å
27A97Very high95.8Very high17 Ų1751.9 Ų51.914%0.1429%0.294CS..  trans-57.5124.917800000111.8I22 S23 M24 T25 R29I22-A27 HydrophobicContact CD1-CB 4.29Å; S23-A27 PolarHBondContact O-N 2.92Å; M24-A27 WeakPolarHBondContact O-CB 3.46Å; T25-A27 VanDerWaalsContact C-N 3.31Å; A27-R29 VanDerWaalsContact C-N 3.3Å
28T97.3Very high95.7Very high101 Ų10148 Ų4862%0.6228%0.278SS*.SBendtrans-78.3-18.6177.660.90000113D26 T56D26-T28 PolarHBondContact O-N 2.9Å; T28-T56 PolarHBondContact N-O 2.86Å; T28-T56 WeakPolarHBondContact OG1-CB 3.41Å; T28-T56 PolarHBondContact OG1-O 3.35Å; T28-T56 PolarHBondContact OG1-OG1 3.05Å
29R97.9Very high95.6Very high46 Ų4655.1 Ų55.117%0.17431%0.311CS..EExtended strand (participates in β ladder)trans-146.4126.7174.5-178.4177.664.9167.61.7109.1A27 V31 V52 D57 G58 D140A27-R29 VanDerWaalsContact C-N 3.3Å; R29-V31 HydrophobicContact CG-CG2 4.27Å; R29-V52 PolarHBondContact NH2-O 2.89Å; R29-D57 WeakPolarHBondContact CB-OD1 3.4Å; R29-D57 IonicContact CZ-OD1 3.7Å; R29-D57 VanDerWaalsContact CZ-OD1 3.25Å; R29-D57 IonicContact CZ-OD2 3.25Å; R29-D57 IonicContact NE-OD1 2.74Å; R29-D57 PolarHBondContact NE-OD1 3.38Å; R29-D57 IonicContact NE-OD2 3.73Å; R29-D57 IonicContact NH2-OD1 2.73Å; R29-D57 PolarHBondContact NH2-OD1 3.47Å; R29-D57 IonicContact NH2-OD2 3.48Å; R29-D57 PolarHBondContact NH2-OD2 2.81Å; R29-D57 CarbonylContact O-C 3.59Å; R29-D57 VanDerWaalsContact O-CA 3.24Å; R29-D57 WeakPolarHBondContact O-CA 3.14Å; R29-G58 PolarHBondContact O-N 3.28Å; R29-D140 WeakPolarHBondContact CA-OD2 2.92Å; R29-D140 HydrophobicContact CG-CB 3.96Å
30K98.6Very high95.7Very high61 Ų6147.1 Ų47.127%0.26528%0.276SS..EExtended strand (participates in β ladder)trans-97.6121.5176.4-66.7-179.7-178.1172.50109.6G58 Y60 H137 V139 D140 L141K30-G58 WeakPolarHBondContact CA-O 3.32Å; K30-Y60 HydrophobicContact CB-CD2 4.37Å; K30-Y60 HydrophobicContact CB-CE2 3.89Å; K30-Y60 HydrophobicContact CD-CE2 4.03Å; K30-Y60 HydrophobicContact CG-CE2 3.86Å; K30-H137 WeakPolarHBondContact CD-O 3.37Å; K30-H137 PolarHBondContact NZ-O 3.16Å; K30-V139 HydrophobicContact CB-CB 4.24Å; K30-V139 HydrophobicContact CB-CG1 4.33Å; K30-D140 PolarHBondContact N-OD2 2.95Å; K30-D140 PolarHBondContact O-N 3.34Å; K30-L141 PolarHBondContact O-N 3.44Å
31V98.8Very high96Very high0 Ų046.2 Ų46.20%027%0.267CS..EExtended strand (participates in β ladder)trans-111.1122.6-179.2-177.40000108.7R29 Y48 D57 G58 L59 Y60 L141 I143R29-V31 HydrophobicContact CG-CG2 4.27Å; V31-Y48 HydrophobicContact CB-CE2 4.49Å; V31-Y48 HydrophobicContact CG1-CD2 4.45Å; V31-Y48 HydrophobicContact CG1-CE2 4.16Å; V31-Y48 HydrophobicContact CG2-CE2 4.12Å; V31-D57 HydrophobicContact CG2-CB 4.46Å; V31-G58 PolarHBondContact N-O 3.46Å; V31-L59 HydrophobicContact CB-CD1 3.95Å; V31-L59 HydrophobicContact CG1-CD1 3.85Å; V31-L59 CarbonylContact O-C 3.56Å; V31-L59 WeakPolarHBondContact O-CA 3.27Å; V31-Y60 PolarHBondContact O-N 3.46Å; V31-L141 CarbonylContact C-O 3.32Å; V31-L141 WeakPolarHBondContact CA-O 3.46Å; V31-L141 HydrophobicContact CG1-CD2 4.49Å; V31-L141 HydrophobicContact CG2-CB 4.44Å; V31-L141 HydrophobicContact CG2-CD2 4.38Å; V31-I143 HydrophobicContact CG1-CD1 3.84Å; V31-I143 HydrophobicContact CG1-CG1 3.99Å
32L98.7Very high96.1Very high0 Ų044.5 Ų44.50%025%0.251CS..EExtended strand (participates in β ladder)trans-93.7130.7171.5-173.369.1000110.2V62 I130 I133 A134 V139 L141 V142 I143L32-V62 HydrophobicContact CD1-CB 4.37Å; L32-V62 HydrophobicContact CD1-CG1 3.5Å; L32-V62 HydrophobicContact CD1-CG2 3.87Å; L32-V62 HydrophobicContact CG-CG2 4.33Å; L32-I130 HydrophobicContact CD2-CG2 3.89Å; L32-I130 WeakPolarHBondContact CD2-O 3.08Å; L32-I133 HydrophobicContact CD1-CG2 3.88Å; L32-I133 HydrophobicContact CD2-CG2 4.45Å; L32-A134 HydrophobicContact CD2-CB 3.7Å; L32-V139 HydrophobicContact CB-CB 4.23Å; L32-V139 HydrophobicContact CB-CG1 4.08Å; L32-V139 HydrophobicContact CB-CG2 3.94Å; L32-L141 PolarHBondContact N-O 3.12Å; L32-V142 HydrophobicContact CB-CG2 4.24Å; L32-V142 HydrophobicContact CD2-CG2 4.29Å; L32-V142 WeakPolarHBondContact O-CA 3.43Å; L32-I143 PolarHBondContact O-N 3.12Å
33M98.7Very high96.2Very high1 Ų144.8 Ų44.81%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-130.8102.7176-171.8175.9-65.400110.9V35 F45 Y48 L59 Y60 L61 V62 I143M33-V35 HydrophobicContact CG-CG1 3.91Å; M33-V35 PolarHBondContact O-N 3.4Å; M33-V35 HydrophobicContact SD-CG1 4.26Å; M33-F45 HydrophobicContact CE-CD2 4.45Å; M33-F45 WeakPolarHBondContact SD-CA 3.2Å; M33-F45 HydrophobicContact SD-CB 3.63Å; M33-F45 HydrophobicContact SD-CD2 3.71Å; M33-F45 HydrophobicContact SD-CG 4.17Å; M33-Y48 HydrophobicContact CE-CD1 3.84Å; M33-Y48 HydrophobicContact CE-CG 3.76Å; M33-L59 HydrophobicContact CB-CD1 4.04Å; M33-L59 HydrophobicContact CE-CD1 4.27Å; M33-Y60 PolarHBondContact N-O 3.37Å; M33-L61 HydrophobicContact CB-CD2 4.05Å; M33-L61 HydrophobicContact CG-CD2 4.22Å; M33-L61 WeakPolarHBondContact O-CA 3.44Å; M33-L61 HydrophobicContact SD-CD2 4.05Å; M33-V62 PolarHBondContact O-N 3.12Å; M33-I143 WeakPolarHBondContact CA-O 3.41Å; M33-I143 HydrophobicContact CE-CB 4.05Å; M33-I143 HydrophobicContact CE-CG2 4.06Å; M33-I143 WeakPolarHBondContact CG-O 3.32Å
34P98Very high96.3Very high13 Ų1343 Ų438%0.08424%0.237CC..EExtended strand (participates in β ladder)trans-66.2124.4169.4-18.433.4000109.9V62 I130 V142 I143 I144P34-V62 CarbonylContact C-O 3.49Å; P34-V62 WeakPolarHBondContact CA-O 3.44Å; P34-V62 HydrophobicContact CB-CG2 4.13Å; P34-V62 HydrophobicContact CG-CG2 4.21Å; P34-I130 HydrophobicContact CB-CD1 3.5Å; P34-I130 VanDerWaalsContact CB-CD1 3.5Å; P34-I130 HydrophobicContact CB-CG1 3.85Å; P34-I130 HydrophobicContact CG-CB 4.23Å; P34-I130 HydrophobicContact CG-CD1 3.54Å; P34-I130 HydrophobicContact CG-CG1 3.63Å; P34-I130 HydrophobicContact CG-CG2 3.53Å; P34-V142 HydrophobicContact CG-CG1 4.45Å; P34-I143 WeakPolarHBondContact CD-O 3.32Å; P34-I144 HydrophobicContact CB-CD1 4.14Å; P34-I144 HydrophobicContact CB-CG1 4.26Å; P34-I144 HydrophobicContact CG-CD1 3.98Å; P34-I144 HydrophobicContact CG-CG1 4.18Å
35V97.2Very high96.5Very high7 Ų742.8 Ų42.84%0.04224%0.236CC..  trans-124.8144.5-177.8-66.80000111.8M33 S41 L61 V62 H63 F105 F118M33-V35 HydrophobicContact CG-CG1 3.91Å; M33-V35 PolarHBondContact O-N 3.4Å; M33-V35 HydrophobicContact SD-CG1 4.26Å; V35-S41 WeakPolarHBondContact CA-OG 3.48Å; V35-S41 WeakPolarHBondContact CB-OG 3.47Å; V35-L61 HydrophobicContact CG1-CD2 3.56Å; V35-L61 HydrophobicContact CG2-CB 4.42Å; V35-L61 HydrophobicContact CG2-CD2 4.36Å; V35-V62 PolarHBondContact N-O 3.32Å; V35-H63 HydrophobicContact CG2-CB 4.47Å; V35-H63 PolarHBondContact O-ND1 2.94Å; V35-F105 HydrophobicContact CB-CD2 4.42Å; V35-F105 HydrophobicContact CB-CE2 3.68Å; V35-F105 HydrophobicContact CB-CZ 4.08Å; V35-F105 HydrophobicContact CG1-CD2 4.35Å; V35-F105 HydrophobicContact CG1-CE2 3.81Å; V35-F105 HydrophobicContact CG1-CZ 3.89Å; V35-F105 HydrophobicContact CG2-CD2 4.35Å; V35-F105 HydrophobicContact CG2-CE2 4Å; V35-F118 HydrophobicContact CG2-CE2 3.77Å; V35-F118 HydrophobicContact CG2-CZ 3.77Å
36D93.8Very high96.7Very high33 Ų3338.8 Ų38.818%0.17621%0.21CC..  trans-139.3-176.6169.968.69.1000110S38 S41 G148 I149D36-S38 PolarHBondContact O-N 2.92Å; D36-S38 WeakPolarHBondContact OD1-CA 3.24Å; D36-S38 WeakPolarHBondContact OD1-CB 3.22Å; D36-S38 PolarHBondContact OD1-N 3.43Å; D36-S38 PolarHBondContact OD1-OG 2.82Å; D36-S41 PolarHBondContact N-OG 2.82Å; D36-S41 VanDerWaalsContact N-OG 3.07Å; D36-S41 WeakPolarHBondContact O-CB 3.33Å; D36-S41 PolarHBondContact O-OG 2.92Å; D36-S41 WeakPolarHBondContact OD1-CB 3.49Å; D36-G148 WeakPolarHBondContact OD2-CA 3.11Å; D36-I149 HydrophobicContact CB-CD1 3.9Å; D36-I149 HydrophobicContact CB-CG1 4.2Å; D36-I149 PolarHBondContact OD2-N 3.37Å
37G92.2Very high96.8Very high53 Ų5337.4 Ų37.455%0.54620%0.196SC..SBendtrans-728.6175.500000116
38S93.8Very high96.9Very high12 Ų1236.6 Ų36.68%0.08419%0.19CC..SBendtrans-85152.5-179.776.20000113D36 H40 S41 E42D36-S38 PolarHBondContact O-N 2.92Å; D36-S38 WeakPolarHBondContact OD1-CA 3.24Å; D36-S38 WeakPolarHBondContact OD1-CB 3.22Å; D36-S38 PolarHBondContact OD1-N 3.43Å; D36-S38 PolarHBondContact OD1-OG 2.82Å; S38-H40 PolarHBondContact O-N 2.96Å; S38-H40 PolarHBondContact OG-N 2.69Å; S38-S41 WeakPolarHBondContact O-CB 3.42Å; S38-S41 PolarHBondContact O-N 2.95Å; S38-S41 PolarHBondContact OG-N 2.65Å; S38-S41 VanDerWaalsContact OG-N 3.16Å; S38-E42 PolarHBondContact O-N 3.09Å
39E93.8Very high96.9Very high153 Ų15332.6 Ų32.672%0.71516%0.164SC*.Hα-helixtrans-62.1-23.3170.2-64.3-179.4174.200112.3R43E39-R43 WeakPolarHBondContact O-CB 3.37Å; E39-R43 PolarHBondContact O-N 3.16Å
40H94.9Very high96.9Very high41 Ų4135.3 Ų35.319%0.1918%0.182CC..Hα-helixtrans-72.2-41178.7-59-50.1000112.2S38 R43 A44 R147S38-H40 PolarHBondContact O-N 2.96Å; S38-H40 PolarHBondContact OG-N 2.69Å; H40-R43 PolarHBondContact O-NH1 3.27Å; H40-R43 VanDerWaalsContact O-NH1 3.14Å; H40-A44 WeakPolarHBondContact O-CB 3.37Å; H40-A44 PolarHBondContact O-N 3.06Å; H40-R147 WeakPolarHBondContact CB-O 3.44Å; H40-R147 WeakPolarHBondContact CD2-CB 3.45Å
41S96.3Very high96.9Very high5 Ų537.2 Ų37.24%0.03520%0.195CC..Hα-helixtrans-60.5-51.7171157.80000110.3V35 D36 S38 R43 A44 F45V35-S41 WeakPolarHBondContact CA-OG 3.48Å; V35-S41 WeakPolarHBondContact CB-OG 3.47Å; D36-S41 PolarHBondContact N-OG 2.82Å; D36-S41 VanDerWaalsContact N-OG 3.07Å; D36-S41 WeakPolarHBondContact O-CB 3.33Å; D36-S41 PolarHBondContact O-OG 2.92Å; D36-S41 WeakPolarHBondContact OD1-CB 3.49Å; S38-S41 WeakPolarHBondContact O-CB 3.42Å; S38-S41 PolarHBondContact O-N 2.95Å; S38-S41 PolarHBondContact OG-N 2.65Å; S38-S41 VanDerWaalsContact OG-N 3.16Å; S41-R43 PolarHBondContact O-N 2.78Å; S41-A44 WeakPolarHBondContact O-CB 3.34Å; S41-A44 PolarHBondContact O-N 2.96Å; S41-A44 VanDerWaalsContact O-N 3.07Å; S41-F45 PolarHBondContact O-N 2.79Å
42E96.9Very high96.9Very high64 Ų6439.3 Ų39.330%0.29921%0.208SC..Hα-helixtrans-60-43.2177.6173.3170.6-147.800113.2S38 A44 F45 N46 K104S38-E42 PolarHBondContact O-N 3.09Å; E42-A44 VanDerWaalsContact C-N 3.28Å; E42-A44 PolarHBondContact O-N 2.92Å; E42-F45 WeakPolarHBondContact O-CB 3.25Å; E42-F45 PolarHBondContact O-N 2.84Å; E42-N46 PolarHBondContact O-N 2.81Å; E42-N46 PolarHBondContact O-ND2 3.31Å; E42-K104 WeakPolarHBondContact OE1-CE 3.48Å; E42-K104 IonicContact OE1-NZ 3.76Å; E42-K104 PolarHBondContact OE1-NZ 2.91Å; E42-K104 VanDerWaalsContact OE1-NZ 3.08Å; E42-K104 IonicContact OE2-NZ 3.81Å; E42-K104 PolarHBondContact OE2-NZ 3.06Å
43R96.5Very high96.8Very high49 Ų4941.9 Ų41.919%0.18522%0.221CC..Hα-helixtrans-64-36176.5176.6-171.45039.4-10.7111.5E39 H40 S41 W47 N146 I175 P176E39-R43 WeakPolarHBondContact O-CB 3.37Å; E39-R43 PolarHBondContact O-N 3.16Å; H40-R43 PolarHBondContact O-NH1 3.27Å; H40-R43 VanDerWaalsContact O-NH1 3.14Å; S41-R43 PolarHBondContact O-N 2.78Å; R43-W47 VanDerWaalsContact O-CB 3.29Å; R43-W47 WeakPolarHBondContact O-CB 3.34Å; R43-W47 PolarHBondContact O-N 3.25Å; R43-N146 PolarHBondContact NH2-OD1 3.2Å; R43-N146 VanDerWaalsContact NH2-OD1 3.12Å; R43-I175 HydrophobicContact CG-CG2 4.4Å; R43-I175 VanDerWaalsContact NH1-CB 3.29Å; R43-I175 PolarHBondContact NH1-O 3.38Å; R43-I175 PolarHBondContact NH2-O 3.23Å; R43-P176 PolarHBondContact NE-O 3.28Å; R43-P176 PolarHBondContact NH2-O 2.92Å; R43-P176 VanDerWaalsContact NH2-O 3.08Å
44A98.1Very high96.8Very high1 Ų147.2 Ų47.21%0.00824%0.244CC..Hα-helixtrans-66.1-42.7176.200000111.6H40 S41 E42 W47 Y48 I175H40-A44 WeakPolarHBondContact O-CB 3.37Å; H40-A44 PolarHBondContact O-N 3.06Å; S41-A44 WeakPolarHBondContact O-CB 3.34Å; S41-A44 PolarHBondContact O-N 2.96Å; S41-A44 VanDerWaalsContact O-N 3.07Å; E42-A44 VanDerWaalsContact C-N 3.28Å; E42-A44 PolarHBondContact O-N 2.92Å; A44-W47 PolarHBondContact O-N 2.74Å; A44-Y48 PolarHBondContact O-N 2.75Å; A44-I175 HydrophobicContact CB-CB 3.95Å; A44-I175 HydrophobicContact CB-CG1 3.73Å
45F98.5Very high96.7Very high4 Ų450 Ų502%0.01826%0.257CS..Hα-helixtrans-58.3-53.6172.9176.5-99.1000112.4M33 S41 E42 W47 Y48 M49 L59 L61 F105 R108M33-F45 HydrophobicContact CE-CD2 4.45Å; M33-F45 WeakPolarHBondContact SD-CA 3.2Å; M33-F45 HydrophobicContact SD-CB 3.63Å; M33-F45 HydrophobicContact SD-CD2 3.71Å; M33-F45 HydrophobicContact SD-CG 4.17Å; S41-F45 PolarHBondContact O-N 2.79Å; E42-F45 WeakPolarHBondContact O-CB 3.25Å; E42-F45 PolarHBondContact O-N 2.84Å; F45-W47 VanDerWaalsContact C-N 3.31Å; F45-W47 PolarHBondContact O-N 2.76Å; F45-Y48 WeakPolarHBondContact O-CB 3.11Å; F45-Y48 PolarHBondContact O-N 2.83Å; F45-Y48 VanDerWaalsContact O-N 3.15Å; F45-M49 HydrophobicContact CD1-CG 4.23Å; F45-M49 HydrophobicContact CD2-CG 4.46Å; F45-M49 HydrophobicContact CE1-CG 3.9Å; F45-M49 HydrophobicContact CE2-CG 4.11Å; F45-M49 HydrophobicContact CE2-SD 4.14Å; F45-M49 HydrophobicContact CZ-CG 3.81Å; F45-M49 HydrophobicContact CZ-SD 4.09Å; F45-M49 WeakPolarHBondContact O-CG 3.39Å; F45-M49 PolarHBondContact O-N 3.41Å; F45-L59 HydrophobicContact CD2-CD2 4.42Å; F45-L59 HydrophobicContact CE2-CD2 3.97Å; F45-L61 HydrophobicContact CD2-CD2 4.2Å; F45-L61 HydrophobicContact CE2-CD2 4.49Å; F45-F105 HydrophobicContact CB-CD1 3.9Å; F45-F105 HydrophobicContact CB-CE1 3.58Å; F45-F105 AromaticContact CD1-CD1 3.44Å; F45-F105 HydrophobicContact CD1-CD1 3.44Å; F45-F105 VanDerWaalsContact CD1-CD1 3.44Å; F45-F105 AromaticContact CD1-CE1 3.83Å; F45-F105 HydrophobicContact CD1-CE1 3.83Å; F45-F105 HydrophobicContact CD2-CB 4.48Å; F45-F105 AromaticContact CD2-CD1 3.6Å; F45-F105 HydrophobicContact CD2-CD1 3.6Å; F45-F105 HydrophobicContact CD2-CE1 4.16Å; F45-F105 HydrophobicContact CD2-CG 4.32Å; F45-F105 AromaticContact CE1-CD1 3.73Å; F45-F105 HydrophobicContact CE1-CD1 3.73Å; F45-F105 HydrophobicContact CE2-CB 4.06Å; F45-F105 AromaticContact CE2-CD1 3.91Å; F45-F105 HydrophobicContact CE2-CD1 3.91Å; F45-F105 HydrophobicContact CE2-CG 4.37Å; F45-F105 AromaticContact CG-CD1 3.35Å; F45-F105 HydrophobicContact CG-CD1 3.35Å; F45-F105 AromaticContact CG-CE1 3.59Å; F45-F105 HydrophobicContact CG-CE1 3.59Å; F45-F105 HydrophobicContact CG-CG 4.45Å; F45-F105 HydrophobicContact CZ-CB 4.09Å; F45-F105 AromaticContact CZ-CD1 3.97Å; F45-F105 HydrophobicContact CZ-CD1 3.97Å; F45-F105 VanDerWaalsContact CZ-O 3.3Å; F45-F105 WeakPolarHBondContact CZ-O 3.11Å; F45-R108 HydrophobicContact CE1-CB 3.83Å; F45-R108 HydrophobicContact CE1-CG 4.17Å; F45-R108 HydrophobicContact CZ-CB 3.98Å; F45-R108 HydrophobicContact CZ-CG 4.48Å
46N97.9Very high96.8Very high41 Ų4152 Ų5222%0.21927%0.269CS..Hα-helixtrans-61.3-40.6-180-70.3-32.5000111.7E42 Y48 M49 D50 R108E42-N46 PolarHBondContact O-N 2.81Å; E42-N46 PolarHBondContact O-ND2 3.31Å; N46-Y48 VanDerWaalsContact C-N 3.34Å; N46-Y48 PolarHBondContact O-N 2.75Å; N46-M49 PolarHBondContact O-N 3.07Å; N46-D50 WeakPolarHBondContact O-CB 3.18Å; N46-D50 PolarHBondContact O-N 2.96Å; N46-R108 PolarHBondContact OD1-NH1 2.8Å
47W98.2Very high97Very high84 Ų8450.4 Ų50.432%0.31826%0.261SS..Hα-helixtrans-60.9-43.2176-17689.5000112.1R43 A44 F45 D50 N51 V52 I173 I175R43-W47 VanDerWaalsContact O-CB 3.29Å; R43-W47 WeakPolarHBondContact O-CB 3.34Å; R43-W47 PolarHBondContact O-N 3.25Å; A44-W47 PolarHBondContact O-N 2.74Å; F45-W47 VanDerWaalsContact C-N 3.31Å; F45-W47 PolarHBondContact O-N 2.76Å; W47-D50 PolarHBondContact O-N 3.19Å; W47-N51 HydrophobicContact CD2-CB 4.39Å; W47-N51 HydrophobicContact CZ2-CB 4.23Å; W47-N51 VanDerWaalsContact O-CB 3.3Å; W47-N51 WeakPolarHBondContact O-CB 3.25Å; W47-N51 PolarHBondContact O-N 2.84Å; W47-N51 VanDerWaalsContact O-N 3.08Å; W47-N51 PolarHBondContact O-ND2 2.96Å; W47-V52 HydrophobicContact CE3-CG2 4.27Å; W47-V52 HydrophobicContact CH2-CG1 3.76Å; W47-V52 HydrophobicContact CH2-CG2 4.17Å; W47-V52 HydrophobicContact CZ2-CG1 4.49Å; W47-V52 HydrophobicContact CZ3-CG1 4.08Å; W47-V52 HydrophobicContact CZ3-CG2 3.61Å; W47-I173 HydrophobicContact CH2-CD1 4.41Å; W47-I173 HydrophobicContact CH2-CG2 4.13Å; W47-I173 HydrophobicContact CZ3-CD1 4.25Å; W47-I173 HydrophobicContact CZ3-CG2 3.96Å; W47-I175 HydrophobicContact CB-CD1 4.49Å; W47-I175 HydrophobicContact CB-CG2 4.13Å; W47-I175 HydrophobicContact CD2-CD1 3.56Å; W47-I175 HydrophobicContact CD2-CG1 4.48Å; W47-I175 HydrophobicContact CE3-CD1 3.35Å; W47-I175 HydrophobicContact CE3-CG1 4.28Å; W47-I175 HydrophobicContact CG-CD1 4.05Å; W47-I175 HydrophobicContact CG-CG2 4.24Å; W47-I175 HydrophobicContact CH2-CD1 4.41Å; W47-I175 HydrophobicContact CZ3-CD1 3.82Å
48Y98.7Very high97.3Very high0 Ų047.9 Ų47.90%024%0.235CC..Hα-helixtrans-57.8-53.5174.2161.9-105.8000111.3V31 M33 A44 F45 N46 D50 N51 V52 M53 D57 L59 L114 I143V31-Y48 HydrophobicContact CB-CE2 4.49Å; V31-Y48 HydrophobicContact CG1-CD2 4.45Å; V31-Y48 HydrophobicContact CG1-CE2 4.16Å; V31-Y48 HydrophobicContact CG2-CE2 4.12Å; M33-Y48 HydrophobicContact CE-CD1 3.84Å; M33-Y48 HydrophobicContact CE-CG 3.76Å; A44-Y48 PolarHBondContact O-N 2.75Å; F45-Y48 WeakPolarHBondContact O-CB 3.11Å; F45-Y48 PolarHBondContact O-N 2.83Å; F45-Y48 VanDerWaalsContact O-N 3.15Å; N46-Y48 VanDerWaalsContact C-N 3.34Å; N46-Y48 PolarHBondContact O-N 2.75Å; Y48-D50 VanDerWaalsContact C-N 3.25Å; Y48-D50 PolarHBondContact O-N 2.91Å; Y48-N51 PolarHBondContact O-N 2.89Å; Y48-V52 HydrophobicContact CD2-CG2 3.74Å; Y48-V52 HydrophobicContact CE2-CG2 4.46Å; Y48-V52 PolarHBondContact O-N 2.85Å; Y48-V52 VanDerWaalsContact O-N 3.09Å; Y48-M53 HydrophobicContact CD1-CB 4.42Å; Y48-M53 HydrophobicContact CD2-CB 4.46Å; Y48-M53 HydrophobicContact CE1-CB 3.99Å; Y48-M53 HydrophobicContact CE1-CG 3.92Å; Y48-M53 HydrophobicContact CE2-CB 4.04Å; Y48-M53 WeakPolarHBondContact O-CB 3.22Å; Y48-M53 PolarHBondContact O-N 2.95Å; Y48-D57 WeakPolarHBondContact OH-CB 3.49Å; Y48-D57 PolarHBondContact OH-OD2 3Å; Y48-L59 HydrophobicContact CD1-CD1 4.38Å; Y48-L59 HydrophobicContact CD1-CD2 4.42Å; Y48-L59 HydrophobicContact CE1-CD1 3.92Å; Y48-L59 HydrophobicContact CE1-CD2 3.94Å; Y48-L59 HydrophobicContact CE1-CG 4.41Å; Y48-L114 HydrophobicContact CE1-CD2 3.83Å; Y48-I143 HydrophobicContact CD2-CD1 3.32Å; Y48-I143 HydrophobicContact CE2-CD1 4.18Å; Y48-I143 HydrophobicContact CG-CD1 3.91Å
49M98.3Very high97.5Very high16 Ų1647.3 Ų47.38%0.07923%0.231CC..Hα-helixtrans-56.7-39.3-178.8-65-55.1-67.800112.4F45 N46 M53 R108 S112 L114F45-M49 HydrophobicContact CD1-CG 4.23Å; F45-M49 HydrophobicContact CD2-CG 4.46Å; F45-M49 HydrophobicContact CE1-CG 3.9Å; F45-M49 HydrophobicContact CE2-CG 4.11Å; F45-M49 HydrophobicContact CE2-SD 4.14Å; F45-M49 HydrophobicContact CZ-CG 3.81Å; F45-M49 HydrophobicContact CZ-SD 4.09Å; F45-M49 WeakPolarHBondContact O-CG 3.39Å; F45-M49 PolarHBondContact O-N 3.41Å; N46-M49 PolarHBondContact O-N 3.07Å; M49-M53 HydrophobicContact CE-CE 4.32Å; M49-M53 HydrophobicContact CE-CG 4.34Å; M49-M53 HydrophobicContact SD-CG 4.18Å; M49-R108 HydrophobicContact CE-CG 4.23Å; M49-R108 HydrophobicContact CG-CG 4.44Å; M49-S112 WeakPolarHBondContact CE-OG 3.29Å; M49-L114 HydrophobicContact CE-CD2 4Å; M49-L114 HydrophobicContact SD-CD2 3.76Å
50D97.9Very high97.7Very high103 Ų10340.9 Ų40.955%0.55120%0.2SC*.Hα-helixtrans-88-19.9-171.9-64.6-16.5000114N46 W47 Y48 R108N46-D50 WeakPolarHBondContact O-CB 3.18Å; N46-D50 PolarHBondContact O-N 2.96Å; W47-D50 PolarHBondContact O-N 3.19Å; Y48-D50 VanDerWaalsContact C-N 3.25Å; Y48-D50 PolarHBondContact O-N 2.91Å; D50-R108 IonicContact OD1-CZ 3.97Å; D50-R108 IonicContact OD1-NH2 3Å; D50-R108 PolarHBondContact OD1-NH2 2.91Å; D50-R108 IonicContact OD2-NH2 3.84Å; D50-R108 PolarHBondContact OD2-NH2 3.18Å
51N98.1Very high97.9Very high101 Ų10139 Ų3954%0.5419%0.191SC..Hα-helixtrans-123.3-35.6-167.4-62.4-94.3000114.5W47 Y48W47-N51 HydrophobicContact CD2-CB 4.39Å; W47-N51 HydrophobicContact CZ2-CB 4.23Å; W47-N51 VanDerWaalsContact O-CB 3.3Å; W47-N51 WeakPolarHBondContact O-CB 3.25Å; W47-N51 PolarHBondContact O-N 2.84Å; W47-N51 VanDerWaalsContact O-N 3.08Å; W47-N51 PolarHBondContact O-ND2 2.96Å; Y48-N51 PolarHBondContact O-N 2.89Å
52V98.1Very high98Very high44 Ų4438.8 Ų38.827%0.26719%0.19SC..THydrogen-bonded Turntrans-137.4-3.1-168.3-60.90000114.4R29 W47 Y48 I143R29-V52 PolarHBondContact NH2-O 2.89Å; W47-V52 HydrophobicContact CE3-CG2 4.27Å; W47-V52 HydrophobicContact CH2-CG1 3.76Å; W47-V52 HydrophobicContact CH2-CG2 4.17Å; W47-V52 HydrophobicContact CZ2-CG1 4.49Å; W47-V52 HydrophobicContact CZ3-CG1 4.08Å; W47-V52 HydrophobicContact CZ3-CG2 3.61Å; Y48-V52 HydrophobicContact CD2-CG2 3.74Å; Y48-V52 HydrophobicContact CE2-CG2 4.46Å; Y48-V52 PolarHBondContact O-N 2.85Å; Y48-V52 VanDerWaalsContact O-N 3.09Å; V52-I143 HydrophobicContact CG2-CD1 4.28Å
53M97.7Very high97.9Very high55 Ų5536.3 Ų36.327%0.27118%0.178SC..  trans-59.6137.2175.1-180-80.7-73.300110.6Y48 M49 L114Y48-M53 HydrophobicContact CD1-CB 4.42Å; Y48-M53 HydrophobicContact CD2-CB 4.46Å; Y48-M53 HydrophobicContact CE1-CB 3.99Å; Y48-M53 HydrophobicContact CE1-CG 3.92Å; Y48-M53 HydrophobicContact CE2-CB 4.04Å; Y48-M53 WeakPolarHBondContact O-CB 3.22Å; Y48-M53 PolarHBondContact O-N 2.95Å; M49-M53 HydrophobicContact CE-CE 4.32Å; M49-M53 HydrophobicContact CE-CG 4.34Å; M49-M53 HydrophobicContact SD-CG 4.18Å; M53-L114 HydrophobicContact CG-CD1 4.29Å; M53-L114 HydrophobicContact CG-CD2 4Å; M53-L114 HydrophobicContact SD-CD1 4.45Å
54K97.7Very high97.8Very high113 Ų11335.1 Ų35.149%0.49118%0.175SC..  trans-119.5142.9168.9-60176.7-178.8-178.80108.5T56 D57K54-T56 PolarHBondContact O-N 3.4Å; K54-D57 PolarHBondContact N-OD2 3.1Å; K54-D57 WeakPolarHBondContact O-CB 3.32Å; K54-D57 VanDerWaalsContact O-CG 3.28Å; K54-D57 PolarHBondContact O-N 2.96Å
55I97.3Very high97.4Very high72 Ų7235.3 Ų35.337%0.36918%0.177SC..THydrogen-bonded Turntrans-61.1-19.7177-162.859.9000112.9T21 S112 G113T21-I55 HydrophobicContact CG2-CG1 4.37Å; I55-S112 WeakPolarHBondContact CD1-O 3.15Å; I55-G113 VanDerWaalsContact CD1-C 3.47Å; I55-G113 WeakPolarHBondContact CD1-O 3.16Å
56T97.7Very high96.7Very high48 Ų4840.2 Ų40.229%0.29420%0.2SC..THydrogen-bonded Turntrans-93.110.8176.5620000113.8I22 T28 K54I22-T56 VanDerWaalsContact CD1-CA 3.5Å; I22-T56 WeakPolarHBondContact CD1-O 3.47Å; T28-T56 PolarHBondContact N-O 2.86Å; T28-T56 WeakPolarHBondContact OG1-CB 3.41Å; T28-T56 PolarHBondContact OG1-O 3.35Å; T28-T56 PolarHBondContact OG1-OG1 3.05Å; K54-T56 PolarHBondContact O-N 3.4Å
57D98.5Very high95.6Very high0 Ų040.3 Ų40.30%020%0.202CC..EExtended strand (participates in β ladder)trans-79.9150.1172.1-68.2-20.6000111.3R29 V31 Y48 K54 L114R29-D57 WeakPolarHBondContact CB-OD1 3.4Å; R29-D57 IonicContact CZ-OD1 3.7Å; R29-D57 VanDerWaalsContact CZ-OD1 3.25Å; R29-D57 IonicContact CZ-OD2 3.25Å; R29-D57 IonicContact NE-OD1 2.74Å; R29-D57 PolarHBondContact NE-OD1 3.38Å; R29-D57 IonicContact NE-OD2 3.73Å; R29-D57 IonicContact NH2-OD1 2.73Å; R29-D57 PolarHBondContact NH2-OD1 3.47Å; R29-D57 IonicContact NH2-OD2 3.48Å; R29-D57 PolarHBondContact NH2-OD2 2.81Å; R29-D57 CarbonylContact O-C 3.59Å; R29-D57 VanDerWaalsContact O-CA 3.24Å; R29-D57 WeakPolarHBondContact O-CA 3.14Å; V31-D57 HydrophobicContact CG2-CB 4.46Å; Y48-D57 WeakPolarHBondContact OH-CB 3.49Å; Y48-D57 PolarHBondContact OH-OD2 3Å; K54-D57 PolarHBondContact N-OD2 3.1Å; K54-D57 WeakPolarHBondContact O-CB 3.32Å; K54-D57 VanDerWaalsContact O-CG 3.28Å; K54-D57 PolarHBondContact O-N 2.96Å; D57-L114 HydrophobicContact CB-CD1 3.86Å; D57-L114 WeakPolarHBondContact O-CD1 3.14Å
58G98.3Very high94Very high0 Ų043 Ų430%022%0.222CC..EExtended strand (participates in β ladder)trans-110111.9161.400000109.3R29 K30 V31 Y60R29-G58 PolarHBondContact O-N 3.28Å; K30-G58 WeakPolarHBondContact CA-O 3.32Å; V31-G58 PolarHBondContact N-O 3.46Å; G58-Y60 WeakPolarHBondContact O-CD2 3.39Å
59L98.6Very high92.1Very high0 Ų045.2 Ų45.20%024%0.237CC..EExtended strand (participates in β ladder)trans-93.1117.6-176.1-178.168.1000111.4V31 M33 F45 Y48 L61 L114 S115 A116 R117V31-L59 HydrophobicContact CB-CD1 3.95Å; V31-L59 HydrophobicContact CG1-CD1 3.85Å; V31-L59 CarbonylContact O-C 3.56Å; V31-L59 WeakPolarHBondContact O-CA 3.27Å; M33-L59 HydrophobicContact CB-CD1 4.04Å; M33-L59 HydrophobicContact CE-CD1 4.27Å; F45-L59 HydrophobicContact CD2-CD2 4.42Å; F45-L59 HydrophobicContact CE2-CD2 3.97Å; Y48-L59 HydrophobicContact CD1-CD1 4.38Å; Y48-L59 HydrophobicContact CD1-CD2 4.42Å; Y48-L59 HydrophobicContact CE1-CD1 3.92Å; Y48-L59 HydrophobicContact CE1-CD2 3.94Å; Y48-L59 HydrophobicContact CE1-CG 4.41Å; L59-L61 HydrophobicContact CD2-CD1 4.17Å; L59-L61 HydrophobicContact CD2-CD2 4.19Å; L59-L61 HydrophobicContact CD2-CG 4.02Å; L59-L61 HydrophobicContact CG-CG 4.14Å; L59-L114 HydrophobicContact CB-CD2 4.1Å; L59-L114 HydrophobicContact CD2-CD2 3.99Å; L59-S115 PolarHBondContact N-O 3.45Å; L59-A116 HydrophobicContact CB-CB 3.98Å; L59-A116 HydrophobicContact CD2-CB 4.32Å; L59-A116 HydrophobicContact CG-CB 4.47Å; L59-A116 CarbonylContact O-C 3.58Å; L59-A116 WeakPolarHBondContact O-CA 3.1Å; L59-R117 PolarHBondContact O-N 3.26Å
60Y98.4Very high89.9Confident18 Ų1853.3 Ų53.37%0.07128%0.275CS..EExtended strand (participates in β ladder)trans-96.399.4174.2-65.5-99.3000109.1M24 K30 V31 M33 G58 H137 V139M24-Y60 HydrophobicContact CE-CD1 4.2Å; M24-Y60 HydrophobicContact CE-CD2 3.84Å; M24-Y60 HydrophobicContact CE-CE1 3.86Å; M24-Y60 HydrophobicContact CE-CE2 3.45Å; M24-Y60 VanDerWaalsContact CE-CE2 3.45Å; M24-Y60 HydrophobicContact CE-CG 4.19Å; M24-Y60 VanDerWaalsContact CE-CZ 3.47Å; K30-Y60 HydrophobicContact CB-CD2 4.37Å; K30-Y60 HydrophobicContact CB-CE2 3.89Å; K30-Y60 HydrophobicContact CD-CE2 4.03Å; K30-Y60 HydrophobicContact CG-CE2 3.86Å; V31-Y60 PolarHBondContact O-N 3.46Å; M33-Y60 PolarHBondContact N-O 3.37Å; G58-Y60 WeakPolarHBondContact O-CD2 3.39Å; Y60-H137 AromaticContact CD1-CD2 3.77Å; Y60-H137 HydrophobicContact CE1-CB 4.32Å; Y60-H137 AromaticContact CE1-CD2 3.37Å; Y60-H137 WeakPolarHBondContact CE1-CD2 3.48Å; Y60-V139 HydrophobicContact CD2-CG1 4.43Å
61L98.4Very high87.6Confident0 Ų052 Ų520%029%0.286CS..EExtended strand (participates in β ladder)trans-83.3122.2171.6-70.5162.1000108.8M33 V35 F45 L59 F105 F106 A116 R117 F118 T119M33-L61 HydrophobicContact CB-CD2 4.05Å; M33-L61 HydrophobicContact CG-CD2 4.22Å; M33-L61 WeakPolarHBondContact O-CA 3.44Å; M33-L61 HydrophobicContact SD-CD2 4.05Å; V35-L61 HydrophobicContact CG1-CD2 3.56Å; V35-L61 HydrophobicContact CG2-CB 4.42Å; V35-L61 HydrophobicContact CG2-CD2 4.36Å; F45-L61 HydrophobicContact CD2-CD2 4.2Å; F45-L61 HydrophobicContact CE2-CD2 4.49Å; L59-L61 HydrophobicContact CD2-CD1 4.17Å; L59-L61 HydrophobicContact CD2-CD2 4.19Å; L59-L61 HydrophobicContact CD2-CG 4.02Å; L59-L61 HydrophobicContact CG-CG 4.14Å; L61-F105 HydrophobicContact CD1-CB 3.69Å; L61-F105 HydrophobicContact CD1-CG 4.41Å; L61-F105 HydrophobicContact CD2-CG 4.48Å; L61-F106 HydrophobicContact CD1-CD1 4.14Å; L61-F106 HydrophobicContact CD1-CE1 4.02Å; L61-A116 HydrophobicContact CD1-CB 4.49Å; L61-R117 PolarHBondContact N-O 3.38Å; L61-F118 HydrophobicContact CB-CB 4.38Å; L61-F118 HydrophobicContact CB-CD2 3.52Å; L61-F118 HydrophobicContact CB-CE2 4Å; L61-F118 HydrophobicContact CB-CG 4.06Å; L61-F118 HydrophobicContact CD1-CD2 4.01Å; L61-F118 HydrophobicContact CG-CD2 4.37Å; L61-F118 WeakPolarHBondContact O-CA 3.33Å; L61-T119 PolarHBondContact O-N 3.37Å
62V97.5Very high85.5Confident1 Ų150.7 Ų50.71%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-124.8123-177.4-56.60000111.1L32 M33 P34 V35 T119 I133L32-V62 HydrophobicContact CD1-CB 4.37Å; L32-V62 HydrophobicContact CD1-CG1 3.5Å; L32-V62 HydrophobicContact CD1-CG2 3.87Å; L32-V62 HydrophobicContact CG-CG2 4.33Å; M33-V62 PolarHBondContact O-N 3.12Å; P34-V62 CarbonylContact C-O 3.49Å; P34-V62 WeakPolarHBondContact CA-O 3.44Å; P34-V62 HydrophobicContact CB-CG2 4.13Å; P34-V62 HydrophobicContact CG-CG2 4.21Å; V35-V62 PolarHBondContact N-O 3.32Å; V62-T119 WeakPolarHBondContact CA-O 3.19Å; V62-I133 HydrophobicContact CG1-CG2 4.16Å
63H96.2Very high83.4Confident13 Ų1353.6 Ų53.66%0.0629%0.293CS..EExtended strand (participates in β ladder)trans-107115.9174.6-173.646.7000109.6V35 V65 F118 T119 I120 H121V35-H63 HydrophobicContact CG2-CB 4.47Å; V35-H63 PolarHBondContact O-ND1 2.94Å; H63-V65 VanDerWaalsContact CD2-CG1 3.49Å; H63-V65 WeakPolarHBondContact CD2-CG1 3.43Å; H63-V65 WeakPolarHBondContact NE2-CG1 3.13Å; H63-F118 HydrophobicContact CB-CE1 3.69Å; H63-F118 HydrophobicContact CB-CZ 3.85Å; H63-T119 PolarHBondContact N-O 2.97Å; H63-I120 CarbonylContact O-C 3.59Å; H63-I120 VanDerWaalsContact O-CA 3.32Å; H63-I120 WeakPolarHBondContact O-CA 3.36Å; H63-H121 PolarHBondContact O-N 3Å
64I94.2Very high81.5Confident23 Ų2357.3 Ų57.312%0.11831%0.305CS..EExtended strand (participates in β ladder)trans-94.7122.8176.4-43.9-58.1000109H121 P126 N129 I130 I133I64-H121 CarbonylContact C-O 3.49Å; I64-H121 WeakPolarHBondContact CA-O 3.32Å; I64-H121 HydrophobicContact CD1-CB 3.66Å; I64-P126 HydrophobicContact CB-CB 4.12Å; I64-P126 HydrophobicContact CB-CG 4.49Å; I64-P126 HydrophobicContact CG1-CB 4.3Å; I64-P126 HydrophobicContact CG2-CB 4.15Å; I64-P126 HydrophobicContact CG2-CG 4.21Å; I64-N129 HydrophobicContact CD1-CB 3.91Å; I64-N129 HydrophobicContact CG1-CB 4.38Å; I64-N129 HydrophobicContact CG2-CB 4.46Å; I64-I130 HydrophobicContact CG1-CG1 4.33Å; I64-I133 HydrophobicContact CD1-CD1 3.93Å
65V89.5Confident79.5Confident6 Ų657.4 Ų57.44%0.03631%0.311CS..EExtended strand (participates in β ladder)trans-108.5129.1176.2-63.20000110.4H63 L94 I120 H121 V122 G123H63-V65 VanDerWaalsContact CD2-CG1 3.49Å; H63-V65 WeakPolarHBondContact CD2-CG1 3.43Å; H63-V65 WeakPolarHBondContact NE2-CG1 3.13Å; V65-L94 HydrophobicContact CB-CD1 4Å; V65-L94 HydrophobicContact CB-CD2 3.99Å; V65-L94 HydrophobicContact CB-CG 4.39Å; V65-L94 HydrophobicContact CG1-CB 4.31Å; V65-L94 HydrophobicContact CG1-CD2 4.01Å; V65-L94 HydrophobicContact CG2-CD1 3.97Å; V65-I120 HydrophobicContact CG1-CG2 4.02Å; V65-I120 HydrophobicContact CG2-CG2 3.84Å; V65-H121 WeakPolarHBondContact CG2-O 3.41Å; V65-H121 PolarHBondContact N-O 3.07Å; V65-V122 HydrophobicContact CG2-CB 4.35Å; V65-V122 HydrophobicContact CG2-CG2 3.82Å; V65-V122 WeakPolarHBondContact O-CA 3.06Å; V65-G123 PolarHBondContact O-N 3.42Å
66E84.1Confident77.6Confident107 Ų10758.8 Ų58.850%0.532%0.318SS..  trans-87.7129.6174.9-66.5-178.5-115.100109.4G123 P126E66-G123 WeakPolarHBondContact CG-O 3.4Å; E66-P126 HydrophobicContact CG-CG 4.38Å
67P73.8Confident75.7Confident42 Ų4256.8 Ų56.827%0.27331%0.306SS..  trans-68.4139.8174.928-32.8000110.7S69 V122 T124P67-S69 PolarHBondContact O-N 2.91Å; P67-V122 HydrophobicContact CB-CG1 4.42Å; P67-V122 HydrophobicContact CG-CG1 4.27Å; P67-T124 HydrophobicContact CG-CG2 4.09Å
68L65.5Low73.8Confident142 Ų14259.1 Ų59.174%0.74332%0.323SS*.SBendtrans-53.1-25.7-179.5-88.6168.9000115.1H90L68-H90 HydrophobicContact CD1-CB 4.06Å; L68-H90 VanDerWaalsContact CD1-CE1 3.48Å; L68-H90 WeakPolarHBondContact CD1-CE1 3.37Å; L68-H90 VanDerWaalsContact CD1-ND1 3.3Å; L68-H90 WeakPolarHBondContact CD1-ND1 3.41Å; L68-H90 VanDerWaalsContact CG-CE1 3.43Å; L68-H90 WeakPolarHBondContact CG-CE1 3.16Å; L68-H90 WeakPolarHBondContact CG-NE2 3.4Å
69S58.6Low72Confident45 Ų4567.1 Ų67.132%0.31536%0.358SS..  trans-111.596.9-170.364.70000112.7P67 G71 L72P67-S69 PolarHBondContact O-N 2.91Å; S69-G71 PolarHBondContact O-N 3.3Å; S69-L72 WeakPolarHBondContact OG-CB 3.45Å
70Q52Low70.3Confident186 Ų18668.8 Ų68.887%0.86937%0.369SS*.SBendtrans-64.2-21.9163.7-66-177.4-10.800112.4
71G50.4Low68.8Low76 Ų7672.7 Ų72.778%0.78440%0.397SS*.SBendtrans-120.2-7.5-17300000116.6S69 N73S69-G71 PolarHBondContact O-N 3.3Å; G71-N73 PolarHBondContact O-N 2.99Å
72L53.6Low67.4Low73 Ų7376.1 Ų76.138%0.38242%0.421SS..  trans-88.1107178-163.364.5000107.9S69 Y74 A77 I83S69-L72 WeakPolarHBondContact OG-CB 3.45Å; L72-Y74 PolarHBondContact O-N 3.39Å; L72-A77 HydrophobicContact CD2-CB 3.56Å; L72-A77 HydrophobicContact CG-CB 3.84Å; L72-I83 HydrophobicContact CD2-CG2 3.71Å
73N54Low65.9Low105 Ų10578.6 Ų78.656%0.56143%0.433SS*.  trans-51.6114.8165.8-76.5-46.2000107.2G71 N75 L76 A77G71-N73 PolarHBondContact O-N 2.99Å; N73-N75 PolarHBondContact O-N 3.15Å; N73-L76 HydrophobicContact CB-CB 4.07Å; N73-L76 HydrophobicContact CB-CD1 3.82Å; N73-L76 HydrophobicContact CB-CG 3.86Å; N73-L76 WeakPolarHBondContact O-CA 3.45Å; N73-L76 WeakPolarHBondContact O-CB 3.42Å; N73-L76 PolarHBondContact O-N 2.82Å; N73-A77 PolarHBondContact O-N 3.08Å
74Y57.2Low64.5Low134 Ų13483 Ų8353%0.52545%0.452SS..Hα-helixtrans-47-35.5175.2174.6-97.9000111.9L72 L76 A77 S78 F87L72-Y74 PolarHBondContact O-N 3.39Å; Y74-L76 PolarHBondContact O-N 3.26Å; Y74-A77 PolarHBondContact O-N 3.44Å; Y74-S78 PolarHBondContact O-N 2.94Å; Y74-S78 VanDerWaalsContact O-N 3.09Å; Y74-S78 PolarHBondContact O-OG 2.97Å; Y74-F87 HydrophobicContact CD2-CZ 4.14Å; Y74-F87 AromaticContact CE2-CE1 3.98Å; Y74-F87 HydrophobicContact CE2-CE1 3.98Å; Y74-F87 AromaticContact CE2-CZ 3.85Å; Y74-F87 HydrophobicContact CE2-CZ 3.85Å
75N56.2Low63.7Low115 Ų11586.7 Ų86.762%0.61547%0.472SS*.Hα-helixtrans-68.3-25.3175.1-68.6-34.7000115.4N73 S78N73-N75 PolarHBondContact O-N 3.15Å; N75-S78 PolarHBondContact O-OG 3.01Å
76L57.9Low62.9Low100 Ų10091.5 Ų91.552%0.52450%0.498SS..Hα-helixtrans-85.4-39.8173.7-71173.2000110.6N73 Y74 S78 K79N73-L76 HydrophobicContact CB-CB 4.07Å; N73-L76 HydrophobicContact CB-CD1 3.82Å; N73-L76 HydrophobicContact CB-CG 3.86Å; N73-L76 WeakPolarHBondContact O-CA 3.45Å; N73-L76 WeakPolarHBondContact O-CB 3.42Å; N73-L76 PolarHBondContact O-N 2.82Å; Y74-L76 PolarHBondContact O-N 3.26Å; L76-S78 VanDerWaalsContact C-N 3.35Å; L76-S78 PolarHBondContact O-N 2.8Å; L76-K79 PolarHBondContact O-N 3.49Å
77A57.2Low62.3Low6 Ų689.2 Ų89.25%0.0549%0.486CS..Hα-helixtrans-57.6-46.1176.200000112.6L72 N73 Y74 K79 S80 I83L72-A77 HydrophobicContact CD2-CB 3.56Å; L72-A77 HydrophobicContact CG-CB 3.84Å; N73-A77 PolarHBondContact O-N 3.08Å; Y74-A77 PolarHBondContact O-N 3.44Å; A77-K79 PolarHBondContact O-N 3.19Å; A77-S80 PolarHBondContact O-N 3.43Å; A77-I83 HydrophobicContact CB-CG2 3.48Å; A77-I83 VanDerWaalsContact CB-CG2 3.48Å
78S58.7Low62.5Low49 Ų4989.9 Ų89.934%0.34349%0.492SS..THydrogen-bonded Turntrans-67.8-1-179.466.30000114.4Y74 N75 L76 K84Y74-S78 PolarHBondContact O-N 2.94Å; Y74-S78 VanDerWaalsContact O-N 3.09Å; Y74-S78 PolarHBondContact O-OG 2.97Å; N75-S78 PolarHBondContact O-OG 3.01Å; L76-S78 VanDerWaalsContact C-N 3.35Å; L76-S78 PolarHBondContact O-N 2.8Å; S78-K84 WeakPolarHBondContact O-CE 3.33Å; S78-K84 PolarHBondContact O-NZ 2.96Å
79K60.8Low63.2Low169 Ų16989.8 Ų89.874%0.73549%0.486SS*.THydrogen-bonded Turntrans-100.1-16.6175.3-67.1-177.6-178.7-176.70113.9L76 A77L76-K79 PolarHBondContact O-N 3.49Å; A77-K79 PolarHBondContact O-N 3.19Å
80S61.3Low64.2Low35 Ų3589.5 Ų89.525%0.24548%0.479CS..  trans-103.1123.8178.1-178.10000110.8A77 S82 I83 K84A77-S80 PolarHBondContact O-N 3.43Å; S80-S82 VanDerWaalsContact C-N 3.32Å; S80-S82 PolarHBondContact O-N 3.39Å; S80-S82 PolarHBondContact OG-OG 2.95Å; S80-S82 VanDerWaalsContact OG-OG 3.14Å; S80-I83 PolarHBondContact O-N 2.99Å; S80-K84 PolarHBondContact O-N 3.36Å
81P67.9Low65.4Low100 Ų10083.5 Ų83.565%0.64945%0.453SS*.Hα-helixtrans-54.8-43.8178.8-25.133.4000113.4I83 K84 D85P81-I83 VanDerWaalsContact C-N 3.32Å; P81-I83 PolarHBondContact O-N 3.37Å; P81-K84 WeakPolarHBondContact O-CB 3.3Å; P81-K84 PolarHBondContact O-N 2.97Å; P81-D85 PolarHBondContact O-N 3.07Å
82S68Low66.9Low72 Ų7284.8 Ų84.850%0.50344%0.442SS..Hα-helixtrans-63.7-37.5179.950.70000112.6S80 D85 D86S80-S82 VanDerWaalsContact C-N 3.32Å; S80-S82 PolarHBondContact O-N 3.39Å; S80-S82 PolarHBondContact OG-OG 2.95Å; S80-S82 VanDerWaalsContact OG-OG 3.14Å; S82-D85 PolarHBondContact O-N 2.85Å; S82-D86 PolarHBondContact O-N 2.87Å
83I66.4Low68.5Low52 Ų5284.8 Ų84.827%0.26745%0.448SS..Hα-helixtrans-72.5-35.7179.1-56.7179.5000110.8L72 A77 S80 P81 D85 F87L72-I83 HydrophobicContact CD2-CG2 3.71Å; A77-I83 HydrophobicContact CB-CG2 3.48Å; A77-I83 VanDerWaalsContact CB-CG2 3.48Å; S80-I83 PolarHBondContact O-N 2.99Å; P81-I83 VanDerWaalsContact C-N 3.32Å; P81-I83 PolarHBondContact O-N 3.37Å; I83-D85 VanDerWaalsContact C-N 3.3Å; I83-D85 PolarHBondContact O-N 2.73Å; I83-F87 WeakPolarHBondContact O-CB 3.31Å; I83-F87 PolarHBondContact O-N 2.78Å
84K67.6Low69.9Low107 Ų10781.1 Ų81.147%0.46543%0.428SS..Hα-helixtrans-59.2-42.3174-72.8-173.7-177.8-175.90111.9S78 S80 P81 S88S78-K84 WeakPolarHBondContact O-CE 3.33Å; S78-K84 PolarHBondContact O-NZ 2.96Å; S80-K84 PolarHBondContact O-N 3.36Å; P81-K84 WeakPolarHBondContact O-CB 3.3Å; P81-K84 PolarHBondContact O-N 2.97Å; K84-S88 VanDerWaalsContact O-CB 3.29Å; K84-S88 WeakPolarHBondContact O-CB 3.42Å; K84-S88 PolarHBondContact O-N 2.93Å; K84-S88 PolarHBondContact O-OG 3.21Å
85D76.5Confident71.1Confident100 Ų10076.2 Ų76.254%0.53541%0.412SS..Hα-helixtrans-67.9-47.7-178.3-70.9-15.6000111.5P81 S82 I83 F87 S88 K89P81-D85 PolarHBondContact O-N 3.07Å; S82-D85 PolarHBondContact O-N 2.85Å; I83-D85 VanDerWaalsContact C-N 3.3Å; I83-D85 PolarHBondContact O-N 2.73Å; D85-F87 VanDerWaalsContact C-N 3.32Å; D85-F87 PolarHBondContact O-N 2.96Å; D85-S88 PolarHBondContact O-N 3.12Å; D85-K89 WeakPolarHBondContact O-CG 3.27Å; D85-K89 PolarHBondContact O-N 3.42Å
86D73.5Confident72.7Confident106 Ų10675.5 Ų75.557%0.56741%0.405SS*.Hα-helixtrans-63.2-40177.8-73.8-15.3000111.7S82 K89 H90S82-D86 PolarHBondContact O-N 2.87Å; D86-K89 PolarHBondContact O-N 3.43Å; D86-H90 WeakPolarHBondContact O-CB 3.31Å; D86-H90 PolarHBondContact O-N 2.96Å
87F71.8Confident74.2Confident59 Ų5973.6 Ų73.626%0.25940%0.4SS..Hα-helixtrans-64.2-45.3174.8-179.1-105.2000112.1Y74 I83 D85 K89 H90 L91Y74-F87 HydrophobicContact CD2-CZ 4.14Å; Y74-F87 AromaticContact CE2-CE1 3.98Å; Y74-F87 HydrophobicContact CE2-CE1 3.98Å; Y74-F87 AromaticContact CE2-CZ 3.85Å; Y74-F87 HydrophobicContact CE2-CZ 3.85Å; I83-F87 WeakPolarHBondContact O-CB 3.31Å; I83-F87 PolarHBondContact O-N 2.78Å; D85-F87 VanDerWaalsContact C-N 3.32Å; D85-F87 PolarHBondContact O-N 2.96Å; F87-K89 PolarHBondContact O-N 2.92Å; F87-H90 PolarHBondContact O-N 2.99Å; F87-L91 HydrophobicContact CD1-CD1 3.94Å; F87-L91 HydrophobicContact CD1-CG 4.25Å; F87-L91 HydrophobicContact CE1-CD1 3.24Å; F87-L91 HydrophobicContact CE1-CG 3.83Å; F87-L91 HydrophobicContact CE2-CD1 4.38Å; F87-L91 HydrophobicContact CE2-CD2 4.28Å; F87-L91 HydrophobicContact CE2-CG 4.17Å; F87-L91 HydrophobicContact CZ-CD1 3.51Å; F87-L91 HydrophobicContact CZ-CD2 4.01Å; F87-L91 HydrophobicContact CZ-CG 3.78Å; F87-L91 PolarHBondContact O-N 2.8Å
88S77.2Confident75.8Confident57 Ų5773.3 Ų73.340%0.39940%0.397SS..Hα-helixtrans-62.8-42.5178.3-59.20000111.3K84 D85 H90 L91 N92K84-S88 VanDerWaalsContact O-CB 3.29Å; K84-S88 WeakPolarHBondContact O-CB 3.42Å; K84-S88 PolarHBondContact O-N 2.93Å; K84-S88 PolarHBondContact O-OG 3.21Å; D85-S88 PolarHBondContact O-N 3.12Å; S88-H90 VanDerWaalsContact C-N 3.33Å; S88-H90 PolarHBondContact O-N 2.99Å; S88-L91 PolarHBondContact O-N 2.93Å; S88-N92 WeakPolarHBondContact O-CB 3.41Å; S88-N92 PolarHBondContact O-N 2.82Å; S88-N92 PolarHBondContact O-ND2 3.27Å
89K81Confident77.4Confident140 Ų14077.2 Ų77.261%0.60941%0.405SS*.Hα-helixtrans-60.5-42.7173.9-73.4171.8-173.2167.20111.7D85 D86 F87 N92 S93D85-K89 WeakPolarHBondContact O-CG 3.27Å; D85-K89 PolarHBondContact O-N 3.42Å; D86-K89 PolarHBondContact O-N 3.43Å; F87-K89 PolarHBondContact O-N 2.92Å; K89-N92 PolarHBondContact O-N 3.22Å; K89-S93 WeakPolarHBondContact O-CB 3.36Å; K89-S93 PolarHBondContact O-N 3.48Å
90H78.5Confident78.9Confident38 Ų3872.4 Ų72.418%0.17640%0.396CS..Hα-helixtrans-65.8-48.1177.9178.757.2000112.2L68 D86 F87 S88 N92 S93 L94L68-H90 HydrophobicContact CD1-CB 4.06Å; L68-H90 VanDerWaalsContact CD1-CE1 3.48Å; L68-H90 WeakPolarHBondContact CD1-CE1 3.37Å; L68-H90 VanDerWaalsContact CD1-ND1 3.3Å; L68-H90 WeakPolarHBondContact CD1-ND1 3.41Å; L68-H90 VanDerWaalsContact CG-CE1 3.43Å; L68-H90 WeakPolarHBondContact CG-CE1 3.16Å; L68-H90 WeakPolarHBondContact CG-NE2 3.4Å; D86-H90 WeakPolarHBondContact O-CB 3.31Å; D86-H90 PolarHBondContact O-N 2.96Å; F87-H90 PolarHBondContact O-N 2.99Å; S88-H90 VanDerWaalsContact C-N 3.33Å; S88-H90 PolarHBondContact O-N 2.99Å; H90-N92 VanDerWaalsContact C-N 3.3Å; H90-N92 PolarHBondContact O-N 2.81Å; H90-S93 WeakPolarHBondContact O-CA 3.41Å; H90-S93 WeakPolarHBondContact O-CB 3.49Å; H90-S93 PolarHBondContact O-N 3.37Å; H90-S93 VanDerWaalsContact O-N 3.08Å; H90-L94 WeakPolarHBondContact NE2-CD1 3.48Å; H90-L94 WeakPolarHBondContact O-CG 3.23Å; H90-L94 PolarHBondContact O-N 3.4Å
91L77.6Confident80.5Confident61 Ų6171.4 Ų71.432%0.31939%0.388SS..Hα-helixtrans-58.1-44175.3-74.9-170.6000111.6F87 S88 S93 L94 V95F87-L91 HydrophobicContact CD1-CD1 3.94Å; F87-L91 HydrophobicContact CD1-CG 4.25Å; F87-L91 HydrophobicContact CE1-CD1 3.24Å; F87-L91 HydrophobicContact CE1-CG 3.83Å; F87-L91 HydrophobicContact CE2-CD1 4.38Å; F87-L91 HydrophobicContact CE2-CD2 4.28Å; F87-L91 HydrophobicContact CE2-CG 4.17Å; F87-L91 HydrophobicContact CZ-CD1 3.51Å; F87-L91 HydrophobicContact CZ-CD2 4.01Å; F87-L91 HydrophobicContact CZ-CG 3.78Å; F87-L91 PolarHBondContact O-N 2.8Å; S88-L91 PolarHBondContact O-N 2.93Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 3.21Å; L91-L94 HydrophobicContact CD2-CD1 4.33Å; L91-L94 WeakPolarHBondContact O-CB 3.48Å; L91-L94 PolarHBondContact O-N 2.97Å; L91-L94 VanDerWaalsContact O-N 3.14Å; L91-V95 WeakPolarHBondContact O-CG2 3.34Å; L91-V95 PolarHBondContact O-N 2.84Å
92N82.9Confident81.9Confident103 Ų10369.9 Ų69.955%0.55137%0.37SS*.Hα-helixtrans-58.9-44.8174.7-72.3-20.9000110.8S88 K89 H90 L94 V95 E96S88-N92 WeakPolarHBondContact O-CB 3.41Å; S88-N92 PolarHBondContact O-N 2.82Å; S88-N92 PolarHBondContact O-ND2 3.27Å; K89-N92 PolarHBondContact O-N 3.22Å; H90-N92 VanDerWaalsContact C-N 3.3Å; H90-N92 PolarHBondContact O-N 2.81Å; N92-L94 VanDerWaalsContact C-N 3.3Å; N92-L94 PolarHBondContact O-N 3.42Å; N92-V95 PolarHBondContact O-N 3.24Å; N92-E96 WeakPolarHBondContact O-CB 3.27Å; N92-E96 VanDerWaalsContact O-CG 3.32Å; N92-E96 WeakPolarHBondContact O-CG 3.48Å; N92-E96 PolarHBondContact O-N 2.97Å
93S85.8Confident83.2Confident72 Ų7268.9 Ų68.950%0.50337%0.366SS..Hα-helixtrans-61.3-36.3175.7-176.80000113.2K89 H90 L91 S97K89-S93 WeakPolarHBondContact O-CB 3.36Å; K89-S93 PolarHBondContact O-N 3.48Å; H90-S93 WeakPolarHBondContact O-CA 3.41Å; H90-S93 WeakPolarHBondContact O-CB 3.49Å; H90-S93 PolarHBondContact O-N 3.37Å; H90-S93 VanDerWaalsContact O-N 3.08Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 3.21Å; S93-S97 WeakPolarHBondContact O-CB 3.49Å; S93-S97 PolarHBondContact O-N 3.36Å
94L83.6Confident84.5Confident29 Ų2970.9 Ų70.915%0.15237%0.372CS..Hα-helixtrans-67.8-43.8176.1-69.6178.1000111.1V65 H90 L91 N92 S97 G98V65-L94 HydrophobicContact CB-CD1 4Å; V65-L94 HydrophobicContact CB-CD2 3.99Å; V65-L94 HydrophobicContact CB-CG 4.39Å; V65-L94 HydrophobicContact CG1-CB 4.31Å; V65-L94 HydrophobicContact CG1-CD2 4.01Å; V65-L94 HydrophobicContact CG2-CD1 3.97Å; H90-L94 WeakPolarHBondContact NE2-CD1 3.48Å; H90-L94 WeakPolarHBondContact O-CG 3.23Å; H90-L94 PolarHBondContact O-N 3.4Å; L91-L94 HydrophobicContact CD2-CD1 4.33Å; L91-L94 WeakPolarHBondContact O-CB 3.48Å; L91-L94 PolarHBondContact O-N 2.97Å; L91-L94 VanDerWaalsContact O-N 3.14Å; N92-L94 VanDerWaalsContact C-N 3.3Å; N92-L94 PolarHBondContact O-N 3.42Å; L94-S97 PolarHBondContact O-N 2.92Å; L94-G98 PolarHBondContact O-N 2.73Å
95V83.8Confident85.9Confident31 Ų3165.9 Ų65.919%0.18835%0.351CS..Hα-helixtrans-64.3-42.9176.1173.50000111L13 L91 N92 G98 R99L13-V95 HydrophobicContact CD2-CG2 4.03Å; L91-V95 WeakPolarHBondContact O-CG2 3.34Å; L91-V95 PolarHBondContact O-N 2.84Å; N92-V95 PolarHBondContact O-N 3.24Å; V95-G98 CarbonylContact O-C 3.57Å; V95-G98 PolarHBondContact O-N 3.38Å; V95-R99 HydrophobicContact CG1-CG 4.5Å; V95-R99 WeakPolarHBondContact O-CG 3.3Å; V95-R99 PolarHBondContact O-N 3.02Å
96E89.3Confident87Confident100 Ų10061.2 Ų61.247%0.46733%0.325SS..Hα-helixtrans-63.1-42.1176.2-72.3-49.2129.400112.2N92 G98 R99 A100N92-E96 WeakPolarHBondContact O-CB 3.27Å; N92-E96 VanDerWaalsContact O-CG 3.32Å; N92-E96 WeakPolarHBondContact O-CG 3.48Å; N92-E96 PolarHBondContact O-N 2.97Å; E96-G98 VanDerWaalsContact C-N 3.31Å; E96-G98 PolarHBondContact O-N 2.99Å; E96-R99 PolarHBondContact O-N 3.29Å; E96-R99 IonicContact OE1-CZ 3.92Å; E96-R99 IonicContact OE1-NH1 3.37Å; E96-R99 PolarHBondContact OE1-NH1 3.43Å; E96-A100 PolarHBondContact O-N 3.37Å
97S88Confident88.1Confident59 Ų5959.8 Ų59.841%0.41332%0.321SS..Hα-helixtrans-60.3-43173.6-173.70000111.3S93 L94 A100 L101S93-S97 WeakPolarHBondContact O-CB 3.49Å; S93-S97 PolarHBondContact O-N 3.36Å; L94-S97 PolarHBondContact O-N 2.92Å; S97-A100 PolarHBondContact O-N 3.07Å; S97-L101 WeakPolarHBondContact O-CG 3.49Å; S97-L101 PolarHBondContact O-N 3.35Å; S97-L101 VanDerWaalsContact O-N 3.08Å
98G91.7Very high89.2Confident0 Ų061.4 Ų61.40%033%0.325CS..Hα-helixtrans-63.5-38.7174.100000113.5L94 V95 E96 L101 R102L94-G98 PolarHBondContact O-N 2.73Å; V95-G98 CarbonylContact O-C 3.57Å; V95-G98 PolarHBondContact O-N 3.38Å; E96-G98 VanDerWaalsContact C-N 3.31Å; E96-G98 PolarHBondContact O-N 2.99Å; G98-L101 PolarHBondContact O-N 2.97Å; G98-R102 WeakPolarHBondContact O-CB 3.47Å; G98-R102 PolarHBondContact O-N 3.48Å
99R92.3Very high90.2Very high132 Ų13258.7 Ų58.750%0.49831%0.306SS..Hα-helixtrans-63.2-41.1174.9-75.9174.9176.2157.30.6112.2V95 E96 R102 A103V95-R99 HydrophobicContact CG1-CG 4.5Å; V95-R99 WeakPolarHBondContact O-CG 3.3Å; V95-R99 PolarHBondContact O-N 3.02Å; E96-R99 PolarHBondContact O-N 3.29Å; E96-R99 IonicContact OE1-CZ 3.92Å; E96-R99 IonicContact OE1-NH1 3.37Å; E96-R99 PolarHBondContact OE1-NH1 3.43Å; R99-R102 PolarHBondContact O-N 2.64Å; R99-A103 PolarHBondContact O-N 3.34Å
100A93.2Very high91Very high68 Ų6857 Ų5756%0.56230%0.3SS*.Hα-helixtrans-64.1-42.5175.600000111.9E96 S97 A103 K104E96-A100 PolarHBondContact O-N 3.37Å; S97-A100 PolarHBondContact O-N 3.07Å; A100-A103 PolarHBondContact O-N 2.94Å; A100-K104 PolarHBondContact O-N 3.27Å; A100-K104 VanDerWaalsContact O-N 3.16Å
101L95Very high91.8Very high14 Ų1461.6 Ų61.67%0.07333%0.327CS..Hα-helixtrans-62.5-46.2173.5-70.8177.8000111.7S97 G98 A103 K104 F105 F118S97-L101 WeakPolarHBondContact O-CG 3.49Å; S97-L101 PolarHBondContact O-N 3.35Å; S97-L101 VanDerWaalsContact O-N 3.08Å; G98-L101 PolarHBondContact O-N 2.97Å; L101-A103 PolarHBondContact O-N 3.14Å; L101-K104 WeakPolarHBondContact O-CB 3.43Å; L101-K104 PolarHBondContact O-N 2.9Å; L101-F105 HydrophobicContact CB-CD2 4.37Å; L101-F105 HydrophobicContact CB-CE2 4.24Å; L101-F105 HydrophobicContact CD2-CE2 4.09Å; L101-F105 WeakPolarHBondContact O-CD2 3.36Å; L101-F105 PolarHBondContact O-N 3.31Å; L101-F118 HydrophobicContact CB-CE2 4.19Å; L101-F118 HydrophobicContact CB-CZ 3.88Å
102R96.1Very high92.7Very high68 Ų6860.6 Ų60.626%0.25733%0.325SS..Hα-helixtrans-54.5-53.7176.4178.9-162178-82.80.9110.9I15 G98 R99 K104 F105 F106 F118I15-R102 HydrophobicContact CD1-CB 3.65Å; I15-R102 HydrophobicContact CD1-CG 4.16Å; I15-R102 HydrophobicContact CG1-CB 4.43Å; I15-R102 HydrophobicContact CG1-CG 4.43Å; I15-R102 WeakPolarHBondContact O-CD 3.35Å; I15-R102 PolarHBondContact O-NE 3.23Å; G98-R102 WeakPolarHBondContact O-CB 3.47Å; G98-R102 PolarHBondContact O-N 3.48Å; R99-R102 PolarHBondContact O-N 2.64Å; R102-K104 VanDerWaalsContact C-N 3.28Å; R102-K104 PolarHBondContact O-N 3.31Å; R102-F105 PolarHBondContact O-N 2.76Å; R102-F106 HydrophobicContact CG-CD1 4.11Å; R102-F106 HydrophobicContact CG-CD2 3.91Å; R102-F106 HydrophobicContact CG-CE1 4.29Å; R102-F106 HydrophobicContact CG-CE2 4.07Å; R102-F106 HydrophobicContact CG-CG 3.94Å; R102-F106 HydrophobicContact CG-CZ 4.27Å; R102-F106 VanDerWaalsContact CZ-CE2 3.48Å; R102-F106 WeakPolarHBondContact O-CB 3.33Å; R102-F106 PolarHBondContact O-N 3.12Å; R102-F118 HydrophobicContact CB-CB 4.5Å; R102-F118 HydrophobicContact CB-CD1 4.45Å; R102-F118 HydrophobicContact CB-CD2 3.91Å; R102-F118 HydrophobicContact CB-CE2 4.21Å; R102-F118 HydrophobicContact CB-CG 4.04Å; R102-F118 HydrophobicContact CG-CB 4.09Å; R102-F118 HydrophobicContact CG-CD2 4.24Å; R102-F118 HydrophobicContact CG-CG 4.17Å
103A95.7Very high93.3Very high51 Ų5156.6 Ų56.642%0.42131%0.308SS..Hα-helixtrans-54.5-47.8-179.300000111.2R99 A100 L101 F105 T107R99-A103 PolarHBondContact O-N 3.34Å; A100-A103 PolarHBondContact O-N 2.94Å; L101-A103 PolarHBondContact O-N 3.14Å; A103-F105 PolarHBondContact O-N 2.79Å; A103-T107 PolarHBondContact O-N 3.02Å; A103-T107 PolarHBondContact O-OG1 3.14Å
104K94.3Very high93.9Very high93 Ų9353.2 Ų53.240%0.40428%0.284SS..Hα-helixtrans-57-47.2178.7-179.8-179.7-179.1173.70113.3E42 A100 L101 R102E42-K104 WeakPolarHBondContact OE1-CE 3.48Å; E42-K104 IonicContact OE1-NZ 3.76Å; E42-K104 PolarHBondContact OE1-NZ 2.91Å; E42-K104 VanDerWaalsContact OE1-NZ 3.08Å; E42-K104 IonicContact OE2-NZ 3.81Å; E42-K104 PolarHBondContact OE2-NZ 3.06Å; A100-K104 PolarHBondContact O-N 3.27Å; A100-K104 VanDerWaalsContact O-N 3.16Å; L101-K104 WeakPolarHBondContact O-CB 3.43Å; L101-K104 PolarHBondContact O-N 2.9Å; R102-K104 VanDerWaalsContact C-N 3.28Å; R102-K104 PolarHBondContact O-N 3.31Å
105F97.3Very high94.6Very high2 Ų251.9 Ų51.91%0.00928%0.277CS..Hα-helixtrans-80.6-36.4-176.6-65.7-59.5000112.8V35 F45 L61 L101 R102 A103 R108 C109 F118V35-F105 HydrophobicContact CB-CD2 4.42Å; V35-F105 HydrophobicContact CB-CE2 3.68Å; V35-F105 HydrophobicContact CB-CZ 4.08Å; V35-F105 HydrophobicContact CG1-CD2 4.35Å; V35-F105 HydrophobicContact CG1-CE2 3.81Å; V35-F105 HydrophobicContact CG1-CZ 3.89Å; V35-F105 HydrophobicContact CG2-CD2 4.35Å; V35-F105 HydrophobicContact CG2-CE2 4Å; F45-F105 HydrophobicContact CB-CD1 3.9Å; F45-F105 HydrophobicContact CB-CE1 3.58Å; F45-F105 AromaticContact CD1-CD1 3.44Å; F45-F105 HydrophobicContact CD1-CD1 3.44Å; F45-F105 VanDerWaalsContact CD1-CD1 3.44Å; F45-F105 AromaticContact CD1-CE1 3.83Å; F45-F105 HydrophobicContact CD1-CE1 3.83Å; F45-F105 HydrophobicContact CD2-CB 4.48Å; F45-F105 AromaticContact CD2-CD1 3.6Å; F45-F105 HydrophobicContact CD2-CD1 3.6Å; F45-F105 HydrophobicContact CD2-CE1 4.16Å; F45-F105 HydrophobicContact CD2-CG 4.32Å; F45-F105 AromaticContact CE1-CD1 3.73Å; F45-F105 HydrophobicContact CE1-CD1 3.73Å; F45-F105 HydrophobicContact CE2-CB 4.06Å; F45-F105 AromaticContact CE2-CD1 3.91Å; F45-F105 HydrophobicContact CE2-CD1 3.91Å; F45-F105 HydrophobicContact CE2-CG 4.37Å; F45-F105 AromaticContact CG-CD1 3.35Å; F45-F105 HydrophobicContact CG-CD1 3.35Å; F45-F105 AromaticContact CG-CE1 3.59Å; F45-F105 HydrophobicContact CG-CE1 3.59Å; F45-F105 HydrophobicContact CG-CG 4.45Å; F45-F105 HydrophobicContact CZ-CB 4.09Å; F45-F105 AromaticContact CZ-CD1 3.97Å; F45-F105 HydrophobicContact CZ-CD1 3.97Å; F45-F105 VanDerWaalsContact CZ-O 3.3Å; F45-F105 WeakPolarHBondContact CZ-O 3.11Å; L61-F105 HydrophobicContact CD1-CB 3.69Å; L61-F105 HydrophobicContact CD1-CG 4.41Å; L61-F105 HydrophobicContact CD2-CG 4.48Å; L101-F105 HydrophobicContact CB-CD2 4.37Å; L101-F105 HydrophobicContact CB-CE2 4.24Å; L101-F105 HydrophobicContact CD2-CE2 4.09Å; L101-F105 WeakPolarHBondContact O-CD2 3.36Å; L101-F105 PolarHBondContact O-N 3.31Å; R102-F105 PolarHBondContact O-N 2.76Å; A103-F105 PolarHBondContact O-N 2.79Å; F105-R108 PolarHBondContact O-N 3.38Å; F105-C109 PolarHBondContact O-N 3.01Å; F105-C109 PolarHBondContact O-SG 2.84Å; F105-F118 HydrophobicContact CD2-CE2 4.08Å
106F97.6Very high95.3Very high2 Ų250.4 Ų50.41%0.00927%0.268CS..Hα-helixtrans-66.1-39.6-178.2-86.923.9000112.3G16 T18 L61 R102 R108 C109 E110 A116 F118G16-F106 VanDerWaalsContact O-CZ 3.27Å; G16-F106 WeakPolarHBondContact O-CZ 3.21Å; T18-F106 HydrophobicContact CG2-CB 4.05Å; T18-F106 HydrophobicContact CG2-CD1 3.95Å; T18-F106 HydrophobicContact CG2-CD2 3.45Å; T18-F106 VanDerWaalsContact CG2-CD2 3.45Å; T18-F106 HydrophobicContact CG2-CE1 4.14Å; T18-F106 HydrophobicContact CG2-CE2 3.69Å; T18-F106 HydrophobicContact CG2-CG 3.58Å; T18-F106 HydrophobicContact CG2-CZ 4.02Å; L61-F106 HydrophobicContact CD1-CD1 4.14Å; L61-F106 HydrophobicContact CD1-CE1 4.02Å; R102-F106 HydrophobicContact CG-CD1 4.11Å; R102-F106 HydrophobicContact CG-CD2 3.91Å; R102-F106 HydrophobicContact CG-CE1 4.29Å; R102-F106 HydrophobicContact CG-CE2 4.07Å; R102-F106 HydrophobicContact CG-CG 3.94Å; R102-F106 HydrophobicContact CG-CZ 4.27Å; R102-F106 VanDerWaalsContact CZ-CE2 3.48Å; R102-F106 WeakPolarHBondContact O-CB 3.33Å; R102-F106 PolarHBondContact O-N 3.12Å; F106-R108 VanDerWaalsContact C-N 3.25Å; F106-R108 PolarHBondContact O-N 3.06Å; F106-C109 WeakPolarHBondContact O-CA 3.21Å; F106-C109 WeakPolarHBondContact O-CB 3.47Å; F106-C109 PolarHBondContact O-N 2.81Å; F106-E110 WeakPolarHBondContact O-CB 3.47Å; F106-E110 WeakPolarHBondContact O-CG 3.45Å; F106-E110 PolarHBondContact O-N 2.72Å; F106-A116 HydrophobicContact CE1-CB 4.12Å; F106-A116 WeakPolarHBondContact CZ-O 3.29Å; F106-F118 HydrophobicContact CE1-CB 3.64Å; F106-F118 HydrophobicContact CE1-CD2 4.32Å; F106-F118 HydrophobicContact CZ-CB 3.7Å
107T96.7Very high95.7Very high76 Ų7649.2 Ų49.247%0.46626%0.259SS..Hα-helixtrans-51.2-47.2177.3-61.20000111.5A103 C109 E110 D111A103-T107 PolarHBondContact O-N 3.02Å; A103-T107 PolarHBondContact O-OG1 3.14Å; T107-C109 PolarHBondContact O-N 2.99Å; T107-E110 PolarHBondContact O-N 2.85Å; T107-D111 WeakPolarHBondContact O-CB 3.48Å; T107-D111 PolarHBondContact O-N 2.81Å
108R96.5Very high96.2Very high93 Ų9346.4 Ų46.435%0.35124%0.239SC..Hα-helixtrans-71.3-31.3179.4-165.6177.3-171.9119.8-2.6113.3F45 N46 M49 D50 F105 F106 S112F45-R108 HydrophobicContact CE1-CB 3.83Å; F45-R108 HydrophobicContact CE1-CG 4.17Å; F45-R108 HydrophobicContact CZ-CB 3.98Å; F45-R108 HydrophobicContact CZ-CG 4.48Å; N46-R108 PolarHBondContact OD1-NH1 2.8Å; M49-R108 HydrophobicContact CE-CG 4.23Å; M49-R108 HydrophobicContact CG-CG 4.44Å; D50-R108 IonicContact OD1-CZ 3.97Å; D50-R108 IonicContact OD1-NH2 3Å; D50-R108 PolarHBondContact OD1-NH2 2.91Å; D50-R108 IonicContact OD2-NH2 3.84Å; D50-R108 PolarHBondContact OD2-NH2 3.18Å; F105-R108 PolarHBondContact O-N 3.38Å; F106-R108 VanDerWaalsContact C-N 3.25Å; F106-R108 PolarHBondContact O-N 3.06Å; R108-S112 PolarHBondContact O-N 3.08Å; R108-S112 PolarHBondContact O-OG 3.42Å
109C97.9Very high96.4Very high0 Ų046.8 Ų46.80%024%0.242CC..Hα-helixtrans-68.5-44.5175.3-61.50000110.7T18 F105 F106 T107 S112 G113 L114 A116T18-C109 HydrophobicContact CG2-CB 4.12Å; F105-C109 PolarHBondContact O-N 3.01Å; F105-C109 PolarHBondContact O-SG 2.84Å; F106-C109 WeakPolarHBondContact O-CA 3.21Å; F106-C109 WeakPolarHBondContact O-CB 3.47Å; F106-C109 PolarHBondContact O-N 2.81Å; T107-C109 PolarHBondContact O-N 2.99Å; C109-S112 CarbonylContact O-C 3.54Å; C109-S112 PolarHBondContact O-N 3.35Å; C109-S112 PolarHBondContact O-OG 3.24Å; C109-G113 PolarHBondContact O-N 3.05Å; C109-L114 HydrophobicContact CB-CB 4.31Å; C109-L114 PolarHBondContact O-N 3.03Å; C109-A116 HydrophobicContact CB-CB 4.06Å
110E96.7Very high96.5Very high104 Ų10440.9 Ų40.949%0.48622%0.22SC..Hα-helixtrans-63.2-46.2177.7-69.4172.6155.600111.3T18 F106 T107 S112 G113T18-E110 HydrophobicContact CG2-CG 3.71Å; F106-E110 WeakPolarHBondContact O-CB 3.47Å; F106-E110 WeakPolarHBondContact O-CG 3.45Å; F106-E110 PolarHBondContact O-N 2.72Å; T107-E110 PolarHBondContact O-N 2.85Å; E110-S112 PolarHBondContact O-N 3.37Å; E110-S112 VanDerWaalsContact O-N 3.12Å; E110-G113 PolarHBondContact O-N 2.83Å
111D96.1Very high96.5Very high136 Ų13637.8 Ų37.873%0.72719%0.194SC*.Hα-helixtrans-59.6-24.8177.4-70.8-17.8000113.3T107T107-D111 WeakPolarHBondContact O-CB 3.48Å; T107-D111 PolarHBondContact O-N 2.81Å
112S95.7Very high96.2Very high40 Ų4041.5 Ų41.528%0.2822%0.217SC..THydrogen-bonded Turntrans-100.2-2.8177.955.40000113.8M49 I55 R108 C109 E110 L114M49-S112 WeakPolarHBondContact CE-OG 3.29Å; I55-S112 WeakPolarHBondContact CD1-O 3.15Å; R108-S112 PolarHBondContact O-N 3.08Å; R108-S112 PolarHBondContact O-OG 3.42Å; C109-S112 CarbonylContact O-C 3.54Å; C109-S112 PolarHBondContact O-N 3.35Å; C109-S112 PolarHBondContact O-OG 3.24Å; E110-S112 PolarHBondContact O-N 3.37Å; E110-S112 VanDerWaalsContact O-N 3.12Å; S112-L114 PolarHBondContact O-N 3.21Å
113G96.7Very high95.8Very high19 Ų1938.9 Ų38.920%0.19621%0.211CC..THydrogen-bonded Turntrans68.518.9-17500000114.2G20 T21 I55 C109 E110G20-G113 CarbonylContact C-O 3.56Å; G20-G113 WeakPolarHBondContact CA-O 3.23Å; T21-G113 PolarHBondContact N-O 3.39Å; T21-G113 PolarHBondContact OG1-O 3.21Å; T21-G113 VanDerWaalsContact OG1-O 3.13Å; I55-G113 VanDerWaalsContact CD1-C 3.47Å; I55-G113 WeakPolarHBondContact CD1-O 3.16Å; C109-G113 PolarHBondContact O-N 3.05Å; E110-G113 PolarHBondContact O-N 2.83Å
114L98.4Very high95.4Very high0 Ų040.4 Ų40.40%022%0.215CC..  trans-80133.2178.7177.266.7000110.8T18 Y48 M49 M53 D57 L59 C109 S112T18-L114 PolarHBondContact OG1-O 3.39Å; Y48-L114 HydrophobicContact CE1-CD2 3.83Å; M49-L114 HydrophobicContact CE-CD2 4Å; M49-L114 HydrophobicContact SD-CD2 3.76Å; M53-L114 HydrophobicContact CG-CD1 4.29Å; M53-L114 HydrophobicContact CG-CD2 4Å; M53-L114 HydrophobicContact SD-CD1 4.45Å; D57-L114 HydrophobicContact CB-CD1 3.86Å; D57-L114 WeakPolarHBondContact O-CD1 3.14Å; L59-L114 HydrophobicContact CB-CD2 4.1Å; L59-L114 HydrophobicContact CD2-CD2 3.99Å; C109-L114 HydrophobicContact CB-CB 4.31Å; C109-L114 PolarHBondContact O-N 3.03Å; S112-L114 PolarHBondContact O-N 3.21Å
115S98.2Very high95.3Very high1 Ų140.9 Ų40.91%0.00722%0.217CC..EExtended strand (participates in β ladder)trans-79.8123170.9-69.60000110.7T18 G20 I22 M24 L59T18-S115 WeakPolarHBondContact OG1-CA 3.45Å; G20-S115 WeakPolarHBondContact CA-OG 3.49Å; G20-S115 PolarHBondContact N-OG 3.5Å; I22-S115 WeakPolarHBondContact O-CB 3.5Å; I22-S115 PolarHBondContact O-OG 2.49Å; M24-S115 VanDerWaalsContact SD-C 3.5Å; M24-S115 VanDerWaalsContact SD-O 3.42Å; L59-S115 PolarHBondContact N-O 3.45Å
116A98.3Very high95.2Very high0 Ų042 Ų420%023%0.225CC..EExtended strand (participates in β ladder)trans-139.8136.2-177.600000110.4E17 T18 L59 L61 F106 C109E17-A116 CarbonylContact C-O 3.56Å; E17-A116 VanDerWaalsContact CA-O 3.25Å; E17-A116 WeakPolarHBondContact CA-O 3.4Å; T18-A116 HydrophobicContact CG2-CB 4.24Å; T18-A116 PolarHBondContact N-O 3.33Å; T18-A116 PolarHBondContact OG1-N 2.94Å; L59-A116 HydrophobicContact CB-CB 3.98Å; L59-A116 HydrophobicContact CD2-CB 4.32Å; L59-A116 HydrophobicContact CG-CB 4.47Å; L59-A116 CarbonylContact O-C 3.58Å; L59-A116 WeakPolarHBondContact O-CA 3.1Å; L61-A116 HydrophobicContact CD1-CB 4.49Å; F106-A116 HydrophobicContact CE1-CB 4.12Å; F106-A116 WeakPolarHBondContact CZ-O 3.29Å; C109-A116 HydrophobicContact CB-CB 4.06Å
117R97.8Very high95.2Very high75 Ų7542.2 Ų42.228%0.28323%0.227SC..EExtended strand (participates in β ladder)trans-113.6136.6173.8-172.9176.3-177.1-1631.4109.4D14 E17 M24 L59 L61 T119D14-R117 IonicContact OD2-CZ 2.96Å; D14-R117 IonicContact OD2-NE 2.69Å; D14-R117 PolarHBondContact OD2-NE 2.93Å; D14-R117 IonicContact OD2-NH2 3.61Å; D14-R117 PolarHBondContact OD2-NH2 2.83Å; E17-R117 HydrophobicContact CG-CB 4.44Å; M24-R117 HydrophobicContact CE-CB 3.89Å; L59-R117 PolarHBondContact O-N 3.26Å; L61-R117 PolarHBondContact N-O 3.38Å; R117-T119 HydrophobicContact CG-CG2 4.44Å
118F97.7Very high95.2Very high0 Ų042.4 Ų42.40%022%0.223CC..EExtended strand (participates in β ladder)trans-115.9122.7179-160.7-63.7000110.9I15 G16 V35 L61 H63 L101 R102 F105 F106 I120I15-F118 HydrophobicContact CD1-CD1 3.39Å; I15-F118 HydrophobicContact CD1-CE1 3.73Å; I15-F118 HydrophobicContact CD1-CG 4.07Å; I15-F118 HydrophobicContact CG1-CB 4.01Å; I15-F118 HydrophobicContact CG1-CD1 3.49Å; I15-F118 VanDerWaalsContact CG1-CD1 3.49Å; I15-F118 HydrophobicContact CG1-CE1 4.3Å; I15-F118 HydrophobicContact CG1-CG 4.03Å; I15-F118 WeakPolarHBondContact CG1-O 3.35Å; I15-F118 PolarHBondContact N-O 2.8Å; G16-F118 PolarHBondContact O-N 2.83Å; V35-F118 HydrophobicContact CG2-CE2 3.77Å; V35-F118 HydrophobicContact CG2-CZ 3.77Å; L61-F118 HydrophobicContact CB-CB 4.38Å; L61-F118 HydrophobicContact CB-CD2 3.52Å; L61-F118 HydrophobicContact CB-CE2 4Å; L61-F118 HydrophobicContact CB-CG 4.06Å; L61-F118 HydrophobicContact CD1-CD2 4.01Å; L61-F118 HydrophobicContact CG-CD2 4.37Å; L61-F118 WeakPolarHBondContact O-CA 3.33Å; H63-F118 HydrophobicContact CB-CE1 3.69Å; H63-F118 HydrophobicContact CB-CZ 3.85Å; L101-F118 HydrophobicContact CB-CE2 4.19Å; L101-F118 HydrophobicContact CB-CZ 3.88Å; R102-F118 HydrophobicContact CB-CB 4.5Å; R102-F118 HydrophobicContact CB-CD1 4.45Å; R102-F118 HydrophobicContact CB-CD2 3.91Å; R102-F118 HydrophobicContact CB-CE2 4.21Å; R102-F118 HydrophobicContact CB-CG 4.04Å; R102-F118 HydrophobicContact CG-CB 4.09Å; R102-F118 HydrophobicContact CG-CD2 4.24Å; R102-F118 HydrophobicContact CG-CG 4.17Å; F105-F118 HydrophobicContact CD2-CE2 4.08Å; F106-F118 HydrophobicContact CE1-CB 3.64Å; F106-F118 HydrophobicContact CE1-CD2 4.32Å; F106-F118 HydrophobicContact CZ-CB 3.7Å; F118-I120 HydrophobicContact CE1-CG1 4.18Å
119T96.4Very high95.2Very high8 Ų839.1 Ų39.15%0.04921%0.213CC..EExtended strand (participates in β ladder)trans-123.9143.3176.958.40000111.7L13 D14 L61 V62 H63 R117 H121L13-T119 CarbonylContact O-C 3.46Å; L13-T119 WeakPolarHBondContact O-CA 3.32Å; D14-T119 HydrophobicContact CB-CG2 4.45Å; L61-T119 PolarHBondContact O-N 3.37Å; V62-T119 WeakPolarHBondContact CA-O 3.19Å; H63-T119 PolarHBondContact N-O 2.97Å; R117-T119 HydrophobicContact CG-CG2 4.44Å; T119-H121 PolarHBondContact OG1-CD2 2.88Å; T119-H121 PolarHBondContact OG1-NE2 2.9Å
120I94.4Very high95.2Very high8 Ų839.3 Ų39.34%0.04121%0.213CC..EExtended strand (participates in β ladder)trans-105124.9171.2-56.6176.3000108.6G12 L13 I15 H63 V65 F118G12-I120 CarbonylContact C-O 3.56Å; G12-I120 VanDerWaalsContact C-O 3.32Å; G12-I120 VanDerWaalsContact CA-O 3.23Å; G12-I120 WeakPolarHBondContact CA-O 3.46Å; L13-I120 HydrophobicContact CB-CB 4.4Å; L13-I120 PolarHBondContact N-O 2.92Å; L13-I120 PolarHBondContact O-N 2.83Å; I15-I120 HydrophobicContact CD1-CD1 3.99Å; I15-I120 HydrophobicContact CD1-CG1 4.04Å; I15-I120 HydrophobicContact CG1-CG1 4.43Å; I15-I120 HydrophobicContact CG2-CD1 4Å; I15-I120 HydrophobicContact CG2-CG1 4.3Å; H63-I120 CarbonylContact O-C 3.59Å; H63-I120 VanDerWaalsContact O-CA 3.32Å; H63-I120 WeakPolarHBondContact O-CA 3.36Å; V65-I120 HydrophobicContact CG1-CG2 4.02Å; V65-I120 HydrophobicContact CG2-CG2 3.84Å; F118-I120 HydrophobicContact CE1-CG1 4.18Å
121H92.8Very high95.3Very high4 Ų435.6 Ų35.62%0.01920%0.198CC..EExtended strand (participates in β ladder)trans-115.1136.6177-64-109.9000109.9G12 H63 I64 V65 T119 I133G12-H121 VanDerWaalsContact CA-CE1 3.49Å; G12-H121 WeakPolarHBondContact CA-CE1 3.47Å; G12-H121 WeakPolarHBondContact CA-ND1 3.22Å; G12-H121 PolarHBondContact N-CE1 3.19Å; G12-H121 PolarHBondContact N-ND1 2.55Å; H63-H121 PolarHBondContact O-N 3Å; I64-H121 CarbonylContact C-O 3.49Å; I64-H121 WeakPolarHBondContact CA-O 3.32Å; I64-H121 HydrophobicContact CD1-CB 3.66Å; V65-H121 WeakPolarHBondContact CG2-O 3.41Å; V65-H121 PolarHBondContact N-O 3.07Å; T119-H121 PolarHBondContact OG1-CD2 2.88Å; T119-H121 PolarHBondContact OG1-NE2 2.9Å; H121-I133 HydrophobicContact CB-CD1 4.49Å
122V88.3Confident95.4Very high92 Ų9232.2 Ų32.256%0.55818%0.175SC*.EExtended strand (participates in β ladder)trans-92122.8173.7-176.10000108.6V65 P67V65-V122 HydrophobicContact CG2-CB 4.35Å; V65-V122 HydrophobicContact CG2-CG2 3.82Å; V65-V122 WeakPolarHBondContact O-CA 3.06Å; P67-V122 HydrophobicContact CB-CG1 4.42Å; P67-V122 HydrophobicContact CG-CG1 4.27Å
123G88.2Confident95.4Very high12 Ų1230.3 Ų30.312%0.12416%0.162CC..  trans-170.7139.5179.200000113.5V65 E66 K125V65-G123 PolarHBondContact O-N 3.42Å; E66-G123 WeakPolarHBondContact CG-O 3.4Å; G123-K125 PolarHBondContact O-N 3.32Å
124T87.6Confident95.5Very high84 Ų8429.5 Ų29.552%0.51515%0.153SC..SBendtrans-78.1-6.2179.453.60000113.8P67P67-T124 HydrophobicContact CG-CG2 4.09Å
125K92.7Very high95.4Very high103 Ų10335.6 Ų35.645%0.44818%0.181SC..  trans-132.887.3-178.3-61.3-175.1-176.2179.10109.8G123 G127 E128 N129G123-K125 PolarHBondContact O-N 3.32Å; K125-G127 VanDerWaalsContact C-N 3.33Å; K125-G127 PolarHBondContact O-N 3.21Å; K125-E128 HydrophobicContact CB-CB 3.99Å; K125-E128 HydrophobicContact CB-CG 4.34Å; K125-E128 HydrophobicContact CD-CG 4.21Å; K125-E128 WeakPolarHBondContact CD-OE1 3.47Å; K125-E128 WeakPolarHBondContact CD-OE2 3.36Å; K125-E128 WeakPolarHBondContact CE-OE1 3.34Å; K125-E128 VanDerWaalsContact NZ-CD 3.26Å; K125-E128 IonicContact NZ-OE1 2.75Å; K125-E128 PolarHBondContact NZ-OE1 3.23Å; K125-E128 IonicContact NZ-OE2 3.08Å; K125-E128 PolarHBondContact NZ-OE2 3.43Å; K125-E128 PolarHBondContact O-N 3.3Å; K125-N129 PolarHBondContact O-N 2.94Å; K125-N129 VanDerWaalsContact O-N 3.1Å; K125-N129 PolarHBondContact O-ND2 3.17Å
126P94.8Very high95.3Very high25 Ų2539.5 Ų39.516%0.16220%0.199CC..Hα-helixtrans-59.8-40.4-176.6-27.135.5000113.7I64 E66 N129 I130 V160I64-P126 HydrophobicContact CB-CB 4.12Å; I64-P126 HydrophobicContact CB-CG 4.49Å; I64-P126 HydrophobicContact CG1-CB 4.3Å; I64-P126 HydrophobicContact CG2-CB 4.15Å; I64-P126 HydrophobicContact CG2-CG 4.21Å; E66-P126 HydrophobicContact CG-CG 4.38Å; P126-N129 PolarHBondContact O-N 2.61Å; P126-I130 WeakPolarHBondContact O-CD1 3.47Å; P126-I130 WeakPolarHBondContact O-CG1 3.49Å; P126-I130 PolarHBondContact O-N 2.64Å; P126-V160 HydrophobicContact CB-CG1 4.12Å; P126-V160 HydrophobicContact CB-CG2 3.92Å; P126-V160 HydrophobicContact CG-CG2 4.41Å
127G96.8Very high95.2Very high6 Ų641.7 Ų41.76%0.06221%0.209CC..Hα-helixtrans-59.6-48.317800000113.1K125 N129 I130 V131K125-G127 VanDerWaalsContact C-N 3.33Å; K125-G127 PolarHBondContact O-N 3.21Å; G127-N129 VanDerWaalsContact C-N 3.34Å; G127-N129 PolarHBondContact O-N 3.42Å; G127-I130 PolarHBondContact O-N 3.02Å; G127-V131 WeakPolarHBondContact O-CG2 3.46Å; G127-V131 PolarHBondContact O-N 3.44Å; G127-V131 VanDerWaalsContact O-N 3.12Å
128E97.2Very high95.1Very high80 Ų8040.2 Ų40.237%0.37422%0.217SC..Hα-helixtrans-61.1-41.8176.5-79.2178.9-148.400111.7K125 V131 R132 Y163K125-E128 HydrophobicContact CB-CB 3.99Å; K125-E128 HydrophobicContact CB-CG 4.34Å; K125-E128 HydrophobicContact CD-CG 4.21Å; K125-E128 WeakPolarHBondContact CD-OE1 3.47Å; K125-E128 WeakPolarHBondContact CD-OE2 3.36Å; K125-E128 WeakPolarHBondContact CE-OE1 3.34Å; K125-E128 VanDerWaalsContact NZ-CD 3.26Å; K125-E128 IonicContact NZ-OE1 2.75Å; K125-E128 PolarHBondContact NZ-OE1 3.23Å; K125-E128 IonicContact NZ-OE2 3.08Å; K125-E128 PolarHBondContact NZ-OE2 3.43Å; K125-E128 PolarHBondContact O-N 3.3Å; E128-V131 PolarHBondContact O-N 3.16Å; E128-R132 VanDerWaalsContact O-CB 3.32Å; E128-R132 WeakPolarHBondContact O-CB 3.49Å; E128-R132 PolarHBondContact O-N 3.47Å; E128-Y163 HydrophobicContact CB-CE1 4.41Å; E128-Y163 HydrophobicContact CG-CE1 3.82Å; E128-Y163 HydrophobicContact CG-CE2 4.14Å; E128-Y163 VanDerWaalsContact CG-CZ 3.44Å; E128-Y163 WeakPolarHBondContact CG-OH 3.06Å
129N97Very high95.1Very high25 Ų2540.4 Ų40.413%0.13422%0.219CC..Hα-helixtrans-64-43.7177.4-83.5-83.8000112.1I64 K125 P126 G127 V131 R132 I133I64-N129 HydrophobicContact CD1-CB 3.91Å; I64-N129 HydrophobicContact CG1-CB 4.38Å; I64-N129 HydrophobicContact CG2-CB 4.46Å; K125-N129 PolarHBondContact O-N 2.94Å; K125-N129 VanDerWaalsContact O-N 3.1Å; K125-N129 PolarHBondContact O-ND2 3.17Å; P126-N129 PolarHBondContact O-N 2.61Å; G127-N129 VanDerWaalsContact C-N 3.34Å; G127-N129 PolarHBondContact O-N 3.42Å; N129-V131 PolarHBondContact O-N 2.78Å; N129-R132 PolarHBondContact O-N 2.95Å; N129-R132 PolarHBondContact OD1-NH2 3.44Å; N129-I133 HydrophobicContact CB-CD1 4.43Å; N129-I133 WeakPolarHBondContact O-CB 3.12Å; N129-I133 VanDerWaalsContact O-CD1 3.27Å; N129-I133 WeakPolarHBondContact O-CD1 3.36Å; N129-I133 WeakPolarHBondContact O-CG1 3.07Å; N129-I133 PolarHBondContact O-N 2.83Å
130I98.1Very high95.2Very high3 Ų343.9 Ų43.92%0.01524%0.237CC..Hα-helixtrans-61.3-45.9179.1-68.1158.5000110.8L32 P34 I64 P126 G127 I133 A134 V142 I144 V160 V164L32-I130 HydrophobicContact CD2-CG2 3.89Å; L32-I130 WeakPolarHBondContact CD2-O 3.08Å; P34-I130 HydrophobicContact CB-CD1 3.5Å; P34-I130 VanDerWaalsContact CB-CD1 3.5Å; P34-I130 HydrophobicContact CB-CG1 3.85Å; P34-I130 HydrophobicContact CG-CB 4.23Å; P34-I130 HydrophobicContact CG-CD1 3.54Å; P34-I130 HydrophobicContact CG-CG1 3.63Å; P34-I130 HydrophobicContact CG-CG2 3.53Å; I64-I130 HydrophobicContact CG1-CG1 4.33Å; P126-I130 WeakPolarHBondContact O-CD1 3.47Å; P126-I130 WeakPolarHBondContact O-CG1 3.49Å; P126-I130 PolarHBondContact O-N 2.64Å; G127-I130 PolarHBondContact O-N 3.02Å; I130-I133 PolarHBondContact O-N 2.92Å; I130-A134 WeakPolarHBondContact O-CB 3.18Å; I130-A134 PolarHBondContact O-N 3.4Å; I130-V142 HydrophobicContact CG2-CG1 4.39Å; I130-I144 HydrophobicContact CD1-CD1 4.3Å; I130-V160 HydrophobicContact CD1-CG1 3.4Å; I130-V164 HydrophobicContact CB-CG2 3.87Å; I130-V164 HydrophobicContact CD1-CG2 4.08Å; I130-V164 HydrophobicContact CG2-CG1 4.26Å; I130-V164 HydrophobicContact CG2-CG2 3.6Å
131V98.4Very high95.4Very high26 Ų2644.3 Ų44.316%0.15824%0.239CC..Hα-helixtrans-63.9-43.6178.9172.90000111.1G127 E128 N129 A134 H135 Y163 V164 H167G127-V131 WeakPolarHBondContact O-CG2 3.46Å; G127-V131 PolarHBondContact O-N 3.44Å; G127-V131 VanDerWaalsContact O-N 3.12Å; E128-V131 PolarHBondContact O-N 3.16Å; N129-V131 PolarHBondContact O-N 2.78Å; V131-A134 WeakPolarHBondContact O-CB 3.4Å; V131-A134 PolarHBondContact O-N 3.32Å; V131-H135 PolarHBondContact O-N 3.35Å; V131-H135 VanDerWaalsContact O-N 3.12Å; V131-Y163 HydrophobicContact CG2-CD1 4.22Å; V131-Y163 HydrophobicContact CG2-CE1 4.06Å; V131-V164 HydrophobicContact CG2-CG2 4.4Å; V131-H167 HydrophobicContact CG1-CB 4.29Å; V131-H167 WeakPolarHBondContact CG1-O 3.46Å; V131-H167 HydrophobicContact CG2-CB 3.93Å
132R97.3Very high95.7Very high66 Ų6644.1 Ų44.125%0.24924%0.239CC..Hα-helixtrans-58.8-51174.7176.9-173.462.280.6-0.9111.6S10 E128 N129 A134 H135 E136S10-R132 PolarHBondContact O-NH1 3.22Å; E128-R132 VanDerWaalsContact O-CB 3.32Å; E128-R132 WeakPolarHBondContact O-CB 3.49Å; E128-R132 PolarHBondContact O-N 3.47Å; N129-R132 PolarHBondContact O-N 2.95Å; N129-R132 PolarHBondContact OD1-NH2 3.44Å; R132-A134 VanDerWaalsContact C-N 3.31Å; R132-A134 PolarHBondContact O-N 3.08Å; R132-H135 WeakPolarHBondContact O-CB 3.39Å; R132-H135 PolarHBondContact O-N 2.98Å; R132-H135 VanDerWaalsContact O-N 3.16Å; R132-E136 WeakPolarHBondContact CD-OE1 3.48Å; R132-E136 HydrophobicContact CG-CG 4.31Å; R132-E136 WeakPolarHBondContact CG-OE1 3.45Å; R132-E136 IonicContact CZ-OE1 3.7Å; R132-E136 IonicContact CZ-OE2 2.68Å; R132-E136 IonicContact NE-OE1 2.64Å; R132-E136 IonicContact NH1-OE1 2.64Å; R132-E136 PolarHBondContact NH1-OE1 3.36Å; R132-E136 IonicContact NH1-OE2 3.18Å; R132-E136 PolarHBondContact NH1-OE2 2.97Å; R132-E136 WeakPolarHBondContact O-CG 3.44Å; R132-E136 PolarHBondContact O-N 3.16Å
133I97.1Very high96.2Very high0 Ų039.8 Ų39.80%021%0.212CC..Hα-helixtrans-62.7-40.2-178.3-66.5159.6000110.9L32 V62 I64 H121 N129 I130 H135 E136 H137L32-I133 HydrophobicContact CD1-CG2 3.88Å; L32-I133 HydrophobicContact CD2-CG2 4.45Å; V62-I133 HydrophobicContact CG1-CG2 4.16Å; I64-I133 HydrophobicContact CD1-CD1 3.93Å; H121-I133 HydrophobicContact CB-CD1 4.49Å; N129-I133 HydrophobicContact CB-CD1 4.43Å; N129-I133 WeakPolarHBondContact O-CB 3.12Å; N129-I133 VanDerWaalsContact O-CD1 3.27Å; N129-I133 WeakPolarHBondContact O-CD1 3.36Å; N129-I133 WeakPolarHBondContact O-CG1 3.07Å; N129-I133 PolarHBondContact O-N 2.83Å; I130-I133 PolarHBondContact O-N 2.92Å; I133-H135 VanDerWaalsContact C-N 3.3Å; I133-H135 PolarHBondContact O-N 3.2Å; I133-E136 PolarHBondContact O-N 3.35Å; I133-H137 PolarHBondContact O-N 3.01Å; I133-H137 PolarHBondContact O-ND1 3.08Å; I133-H137 VanDerWaalsContact O-ND1 3.07Å
134A98.1Very high96.7Very high2 Ų239.7 Ų39.72%0.01721%0.209CC..Hα-helixtrans-56.4-46.6175.100000111.3L32 I130 V131 R132 G138 V139 V142L32-A134 HydrophobicContact CD2-CB 3.7Å; I130-A134 WeakPolarHBondContact O-CB 3.18Å; I130-A134 PolarHBondContact O-N 3.4Å; V131-A134 WeakPolarHBondContact O-CB 3.4Å; V131-A134 PolarHBondContact O-N 3.32Å; R132-A134 VanDerWaalsContact C-N 3.31Å; R132-A134 PolarHBondContact O-N 3.08Å; A134-G138 PolarHBondContact O-N 3.49Å; A134-V139 HydrophobicContact CB-CG2 3.51Å; A134-V139 PolarHBondContact O-N 2.91Å; A134-V142 HydrophobicContact CB-CG2 4.24Å
135H97.2Very high97.1Very high127 Ų12735.9 Ų35.959%0.58819%0.186SC*.Hα-helixtrans-65.3-49.8176.8175.6-86000112.3V131 R132 I133 H137 G138V131-H135 PolarHBondContact O-N 3.35Å; V131-H135 VanDerWaalsContact O-N 3.12Å; R132-H135 WeakPolarHBondContact O-CB 3.39Å; R132-H135 PolarHBondContact O-N 2.98Å; R132-H135 VanDerWaalsContact O-N 3.16Å; I133-H135 VanDerWaalsContact C-N 3.3Å; I133-H135 PolarHBondContact O-N 3.2Å; H135-H137 VanDerWaalsContact C-N 3.32Å; H135-H137 PolarHBondContact O-N 2.68Å; H135-G138 PolarHBondContact O-N 3.37Å; H135-G138 VanDerWaalsContact O-N 3.11Å
136E95.5Very high97.2Very high84 Ų8431.3 Ų31.339%0.39317%0.166SC..Hα-helixtrans-60-39.1-177.6-74.3168.7178.100113.2R132 I133 G138R132-E136 WeakPolarHBondContact CD-OE1 3.48Å; R132-E136 HydrophobicContact CG-CG 4.31Å; R132-E136 WeakPolarHBondContact CG-OE1 3.45Å; R132-E136 IonicContact CZ-OE1 3.7Å; R132-E136 IonicContact CZ-OE2 2.68Å; R132-E136 IonicContact NE-OE1 2.64Å; R132-E136 IonicContact NH1-OE1 2.64Å; R132-E136 PolarHBondContact NH1-OE1 3.36Å; R132-E136 IonicContact NH1-OE2 3.18Å; R132-E136 PolarHBondContact NH1-OE2 2.97Å; R132-E136 WeakPolarHBondContact O-CG 3.44Å; R132-E136 PolarHBondContact O-N 3.16Å; I133-E136 PolarHBondContact O-N 3.35Å; E136-G138 VanDerWaalsContact C-N 3.31Å
137H95.2Very high97Very high45 Ų4532 Ų3221%0.20817%0.166CC..THydrogen-bonded Turntrans-87.1-4.8-180-68.679.1000113.2K30 Y60 I133 H135 V139K30-H137 WeakPolarHBondContact CD-O 3.37Å; K30-H137 PolarHBondContact NZ-O 3.16Å; Y60-H137 AromaticContact CD1-CD2 3.77Å; Y60-H137 HydrophobicContact CE1-CB 4.32Å; Y60-H137 AromaticContact CE1-CD2 3.37Å; Y60-H137 WeakPolarHBondContact CE1-CD2 3.48Å; I133-H137 PolarHBondContact O-N 3.01Å; I133-H137 PolarHBondContact O-ND1 3.08Å; I133-H137 VanDerWaalsContact O-ND1 3.07Å; H135-H137 VanDerWaalsContact C-N 3.32Å; H135-H137 PolarHBondContact O-N 2.68Å; H137-V139 VanDerWaalsContact C-N 3.35Å; H137-V139 HydrophobicContact CB-CG1 3.77Å
138G95.9Very high96.5Very high44 Ų4432.7 Ų32.745%0.45417%0.173SC..THydrogen-bonded Turntrans55.250.3-17400000111.2A134 H135 E136A134-G138 PolarHBondContact O-N 3.49Å; H135-G138 PolarHBondContact O-N 3.37Å; H135-G138 VanDerWaalsContact O-N 3.11Å; E136-G138 VanDerWaalsContact C-N 3.31Å
139V97.8Very high95.8Very high5 Ų534.6 Ų34.63%0.0319%0.185CC..  trans-72.9151.5-179-50.80000110.7K30 L32 Y60 A134 H137 V142 V170K30-V139 HydrophobicContact CB-CB 4.24Å; K30-V139 HydrophobicContact CB-CG1 4.33Å; L32-V139 HydrophobicContact CB-CB 4.23Å; L32-V139 HydrophobicContact CB-CG1 4.08Å; L32-V139 HydrophobicContact CB-CG2 3.94Å; Y60-V139 HydrophobicContact CD2-CG1 4.43Å; A134-V139 HydrophobicContact CB-CG2 3.51Å; A134-V139 PolarHBondContact O-N 2.91Å; H137-V139 VanDerWaalsContact C-N 3.35Å; H137-V139 HydrophobicContact CB-CG1 3.77Å; V139-V142 HydrophobicContact CG2-CG2 4.36Å; V139-V170 HydrophobicContact CG2-CG2 4.29Å; V139-V170 WeakPolarHBondContact O-CG1 3.4Å
140D98.5Very high94.8Very high81 Ų8137 Ų3743%0.43322%0.216SC..SBendtrans-97.2-19-177.7-57-70.6000112.6R29 K30 P171R29-D140 WeakPolarHBondContact CA-OD2 2.92Å; R29-D140 HydrophobicContact CG-CB 3.96Å; K30-D140 PolarHBondContact N-OD2 2.95Å; K30-D140 PolarHBondContact O-N 3.34Å; D140-P171 WeakPolarHBondContact O-CD 3.43Å
141L98.6Very high93.3Very high16 Ų1639.4 Ų39.48%0.08423%0.23CC..EExtended strand (participates in β ladder)trans-153.9132.4-171.2-176.263.7000110.5K30 V31 L32 I143 P171 I173K30-L141 PolarHBondContact O-N 3.44Å; V31-L141 CarbonylContact C-O 3.32Å; V31-L141 WeakPolarHBondContact CA-O 3.46Å; V31-L141 HydrophobicContact CG1-CD2 4.49Å; V31-L141 HydrophobicContact CG2-CB 4.44Å; V31-L141 HydrophobicContact CG2-CD2 4.38Å; L32-L141 PolarHBondContact N-O 3.12Å; L141-I143 HydrophobicContact CD2-CD1 3.89Å; L141-I143 HydrophobicContact CD2-CG1 3.99Å; L141-I143 HydrophobicContact CG-CD1 4.43Å; L141-I143 HydrophobicContact CG-CG1 3.98Å; L141-P171 HydrophobicContact CD1-CB 3.88Å; L141-I173 HydrophobicContact CD1-CD1 3.91Å; L141-I173 HydrophobicContact CD1-CG1 3.9Å; L141-I173 HydrophobicContact CD2-CD1 4.1Å; L141-I173 HydrophobicContact CG-CD1 4.45Å
142V98.9Very high91.9Very high1 Ų142.9 Ų42.91%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-105.5127.4167.6-176.30000109.3L32 P34 I130 A134 V139 V164 V170 P171 V172 I173L32-V142 HydrophobicContact CB-CG2 4.24Å; L32-V142 HydrophobicContact CD2-CG2 4.29Å; L32-V142 WeakPolarHBondContact O-CA 3.43Å; P34-V142 HydrophobicContact CG-CG1 4.45Å; I130-V142 HydrophobicContact CG2-CG1 4.39Å; A134-V142 HydrophobicContact CB-CG2 4.24Å; V139-V142 HydrophobicContact CG2-CG2 4.36Å; V142-V164 HydrophobicContact CG1-CG1 3.97Å; V142-V170 HydrophobicContact CG2-CG2 3.78Å; V142-P171 PolarHBondContact N-O 3.44Å; V142-V172 HydrophobicContact CB-CG2 4.38Å; V142-V172 CarbonylContact O-C 3.52Å; V142-V172 WeakPolarHBondContact O-CA 2.71Å; V142-I173 PolarHBondContact O-N 2.82Å
143I98.8Very high90.6Very high0 Ų049.5 Ų49.50%028%0.282CS..EExtended strand (participates in β ladder)trans-117125172.4-54.8-178.5000108.3V31 L32 M33 P34 Y48 V52 L141 I173 I175V31-I143 HydrophobicContact CG1-CD1 3.84Å; V31-I143 HydrophobicContact CG1-CG1 3.99Å; L32-I143 PolarHBondContact O-N 3.12Å; M33-I143 WeakPolarHBondContact CA-O 3.41Å; M33-I143 HydrophobicContact CE-CB 4.05Å; M33-I143 HydrophobicContact CE-CG2 4.06Å; M33-I143 WeakPolarHBondContact CG-O 3.32Å; P34-I143 WeakPolarHBondContact CD-O 3.32Å; Y48-I143 HydrophobicContact CD2-CD1 3.32Å; Y48-I143 HydrophobicContact CE2-CD1 4.18Å; Y48-I143 HydrophobicContact CG-CD1 3.91Å; V52-I143 HydrophobicContact CG2-CD1 4.28Å; L141-I143 HydrophobicContact CD2-CD1 3.89Å; L141-I143 HydrophobicContact CD2-CG1 3.99Å; L141-I143 HydrophobicContact CG-CD1 4.43Å; L141-I143 HydrophobicContact CG-CG1 3.98Å; I143-I173 WeakPolarHBondContact CA-O 3.29Å; I143-I173 HydrophobicContact CD1-CD1 4.45Å; I143-I173 HydrophobicContact CG1-CB 4.27Å; I143-I173 HydrophobicContact CG1-CD1 4.34Å; I143-I175 HydrophobicContact CG2-CD1 4.33Å; I143-I175 HydrophobicContact CG2-CG1 4.07Å
144I98.5Very high89.5Confident10 Ų1060.8 Ų60.85%0.05132%0.324CS..EExtended strand (participates in β ladder)trans-141.4147.8-173.4-164.2175000111.5P34 I130 V160 V164 V172 I173 I174 I175P34-I144 HydrophobicContact CB-CD1 4.14Å; P34-I144 HydrophobicContact CB-CG1 4.26Å; P34-I144 HydrophobicContact CG-CD1 3.98Å; P34-I144 HydrophobicContact CG-CG1 4.18Å; I130-I144 HydrophobicContact CD1-CD1 4.3Å; I144-V160 HydrophobicContact CD1-CG1 4.15Å; I144-V164 HydrophobicContact CD1-CG2 4.43Å; I144-V172 HydrophobicContact CG2-CG1 4.27Å; I144-I173 PolarHBondContact N-O 3.25Å; I144-I174 HydrophobicContact CG2-CG1 4.04Å; I144-I174 WeakPolarHBondContact O-CA 3.48Å; I144-I175 PolarHBondContact O-N 3.39Å
145G97Very high88.4Confident4 Ų463.9 Ų63.94%0.04134%0.343CS..EExtended strand (participates in β ladder)trans-63.9146.4166.700000111.1R147G145-R147 PolarHBondContact O-N 3.33Å; G145-R147 VanDerWaalsContact O-N 3.14Å
146N94.1Very high87.7Confident7 Ų767.4 Ų67.44%0.03736%0.357CS..SBendtrans-62.2-21.1175.379.9-64.9000113.4R43 F156 L157 G158 S161 I174 I175 P177R43-N146 PolarHBondContact NH2-OD1 3.2Å; R43-N146 VanDerWaalsContact NH2-OD1 3.12Å; N146-F156 PolarHBondContact ND2-O 3.02Å; N146-L157 HydrophobicContact CB-CD1 4.23Å; N146-G158 PolarHBondContact O-N 3.48Å; N146-S161 PolarHBondContact O-OG 3.25Å; N146-I174 HydrophobicContact CB-CG2 3.7Å; N146-I175 WeakPolarHBondContact CB-O 3.45Å; N146-I175 PolarHBondContact N-O 3.38Å; N146-I175 PolarHBondContact OD1-O 3.25Å; N146-P177 WeakPolarHBondContact OD1-CD 3.46Å
147R91Very high87.4Confident40 Ų4065.3 Ų65.315%0.15135%0.349CS..  trans-144.9163.7-175.9-79.4175.2170.7-118.65.7109.2H40 G145 T151 V152 T155H40-R147 WeakPolarHBondContact CB-O 3.44Å; H40-R147 WeakPolarHBondContact CD2-CB 3.45Å; G145-R147 PolarHBondContact O-N 3.33Å; G145-R147 VanDerWaalsContact O-N 3.14Å; R147-T151 HydrophobicContact CB-CG2 3.48Å; R147-T151 VanDerWaalsContact CB-CG2 3.48Å; R147-T151 HydrophobicContact CG-CG2 3.68Å; R147-T151 PolarHBondContact NH1-OG1 2.7Å; R147-V152 VanDerWaalsContact CZ-O 3.23Å; R147-V152 PolarHBondContact NH1-O 3.29Å; R147-V152 PolarHBondContact NH2-O 3.45Å; R147-T155 PolarHBondContact NE-O 3.24Å; R147-T155 PolarHBondContact NH2-O 2.9Å
148G87.1Confident87.3Confident21 Ų2163.6 Ų63.622%0.21634%0.343CS..  trans-125.1-151.3174.300000113D36 G150 T151D36-G148 WeakPolarHBondContact OD2-CA 3.11Å; G148-G150 PolarHBondContact O-N 3.19Å; G148-T151 WeakPolarHBondContact O-CG2 3.14Å
149I82.5Confident87.2Confident120 Ų12066.3 Ų66.362%0.61536%0.355SS*.THydrogen-bonded Turntrans-65-36.1-178.3-66.4165.9000113.7D36 T151D36-I149 HydrophobicContact CB-CD1 3.9Å; D36-I149 HydrophobicContact CB-CG1 4.2Å; D36-I149 PolarHBondContact OD2-N 3.37Å; I149-T151 PolarHBondContact O-N 3.09Å
150G75Confident87.1Confident76 Ų7668.1 Ų68.178%0.78437%0.366SS*.THydrogen-bonded Turntrans-90.920.7-166.600000117.9G148G148-G150 PolarHBondContact O-N 3.19Å
151T66.5Low87Confident52 Ų5264.4 Ų64.432%0.31935%0.346SS..  trans-85.2137.3-155.769.20000117.8R147 G148 I149R147-T151 HydrophobicContact CB-CG2 3.48Å; R147-T151 VanDerWaalsContact CB-CG2 3.48Å; R147-T151 HydrophobicContact CG-CG2 3.68Å; R147-T151 PolarHBondContact NH1-OG1 2.7Å; G148-T151 WeakPolarHBondContact O-CG2 3.14Å; I149-T151 PolarHBondContact O-N 3.09Å
152V68.5Low86.9Confident99 Ų9967 Ų6760%0.636%0.36SS*.  trans-80.2138.7178.7179.80000111R147 R154R147-V152 VanDerWaalsContact CZ-O 3.23Å; R147-V152 PolarHBondContact NH1-O 3.29Å; R147-V152 PolarHBondContact NH2-O 3.45Å; V152-R154 PolarHBondContact O-N 2.87Å
153K70.5Confident86.8Confident205 Ų20570.2 Ų70.289%0.89137%0.373SS*.THydrogen-bonded Turntrans-61.1-10.1-173.4-71.3-175.8178.1178.60116.5
154R73.7Confident86.8Confident237 Ų23770.3 Ų70.389%0.89437%0.373SS*.THydrogen-bonded Turntrans-107.3-4.5-167.5-69.4-177.8-176.7160.90.7117.1V152V152-R154 PolarHBondContact O-N 2.87Å
155T76.7Confident86.8Confident67 Ų6773.7 Ų73.741%0.41139%0.391SS..  trans-105.1147.1-175.463.80000113.6R147 L157R147-T155 PolarHBondContact NE-O 3.24Å; R147-T155 PolarHBondContact NH2-O 2.9Å; T155-L157 VanDerWaalsContact CB-O 3.29Å; T155-L157 WeakPolarHBondContact CB-O 3.45Å; T155-L157 PolarHBondContact OG1-O 3.4Å
156F81.3Confident86.9Confident201 Ų20179.6 Ų79.688%0.88242%0.417SS*.SBendtrans-76.1-36.6172.5-69-77.5000111.9N146N146-F156 PolarHBondContact ND2-O 3.02Å
157L89.2Confident87.1Confident41 Ų4183.9 Ų83.922%0.21544%0.437CS..SBendtrans-114.6146.3-179.2-15956.2000111N146 T155 S161 D162 L165 I174N146-L157 HydrophobicContact CB-CD1 4.23Å; T155-L157 VanDerWaalsContact CB-O 3.29Å; T155-L157 WeakPolarHBondContact CB-O 3.45Å; T155-L157 PolarHBondContact OG1-O 3.4Å; L157-S161 WeakPolarHBondContact CD1-OG 3.49Å; L157-S161 WeakPolarHBondContact CG-OG 3.37Å; L157-D162 HydrophobicContact CB-CB 4.48Å; L157-D162 VanDerWaalsContact CD2-CA 3.44Å; L157-D162 HydrophobicContact CD2-CB 3.68Å; L157-D162 HydrophobicContact CG-CB 3.91Å; L157-L165 HydrophobicContact CD2-CD2 4.06Å; L157-I174 HydrophobicContact CD1-CD1 3.92Å; L157-I174 HydrophobicContact CD1-CG2 3.73Å; L157-I174 HydrophobicContact CD2-CD1 4.2Å
158G92.6Very high87.4Confident8 Ų883 Ų838%0.08244%0.438CS..  trans-82.9156.8172.500000110.9N146 V160 S161 D162N146-G158 PolarHBondContact O-N 3.48Å; G158-V160 PolarHBondContact O-N 3.45Å; G158-S161 PolarHBondContact N-OG 3.37Å; G158-S161 PolarHBondContact O-N 2.83Å; G158-S161 PolarHBondContact O-OG 2.76Å; G158-S161 VanDerWaalsContact O-OG 3.06Å; G158-D162 VanDerWaalsContact O-CB 3.23Å; G158-D162 WeakPolarHBondContact O-CB 3.49Å; G158-D162 PolarHBondContact O-N 3.05Å
159S93.5Very high87.9Confident102 Ų10287.4 Ų87.471%0.71346%0.457SS*.Hα-helixtrans-56.1-39-178.251.30000113.2Y163S159-Y163 VanDerWaalsContact O-CB 3.31Å; S159-Y163 WeakPolarHBondContact O-CB 3.4Å; S159-Y163 PolarHBondContact O-N 2.86Å
160V95.9Very high88.6Confident42 Ų4283 Ų8326%0.25544%0.435SS..Hα-helixtrans-70.4-48.7-178.4-177.30000111.7P126 I130 I144 G158 D162 Y163 V164P126-V160 HydrophobicContact CB-CG1 4.12Å; P126-V160 HydrophobicContact CB-CG2 3.92Å; P126-V160 HydrophobicContact CG-CG2 4.41Å; I130-V160 HydrophobicContact CD1-CG1 3.4Å; I144-V160 HydrophobicContact CD1-CG1 4.15Å; G158-V160 PolarHBondContact O-N 3.45Å; V160-D162 VanDerWaalsContact C-N 3.34Å; V160-Y163 PolarHBondContact O-N 3.46Å; V160-V164 VanDerWaalsContact O-CG2 3.27Å; V160-V164 WeakPolarHBondContact O-CG2 3.41Å; V160-V164 PolarHBondContact O-N 2.9Å
161S96.7Very high89.8Confident3 Ų383.6 Ų83.62%0.02143%0.425CS..Hα-helixtrans-68.3-34.6179.748.20000112.1N146 L157 G158 L165N146-S161 PolarHBondContact O-OG 3.25Å; L157-S161 WeakPolarHBondContact CD1-OG 3.49Å; L157-S161 WeakPolarHBondContact CG-OG 3.37Å; G158-S161 PolarHBondContact N-OG 3.37Å; G158-S161 PolarHBondContact O-N 2.83Å; G158-S161 PolarHBondContact O-OG 2.76Å; G158-S161 VanDerWaalsContact O-OG 3.06Å; S161-L165 VanDerWaalsContact O-CB 3.31Å; S161-L165 WeakPolarHBondContact O-CB 3.48Å; S161-L165 PolarHBondContact O-N 2.92Å
162D96.5Very high91.3Very high71 Ų7182.8 Ų82.838%0.3842%0.42SS..Hα-helixtrans-63.1-46.6171.1-172.776.2000111.7L157 G158 V160 V164 L165 H166L157-D162 HydrophobicContact CB-CB 4.48Å; L157-D162 VanDerWaalsContact CD2-CA 3.44Å; L157-D162 HydrophobicContact CD2-CB 3.68Å; L157-D162 HydrophobicContact CG-CB 3.91Å; G158-D162 VanDerWaalsContact O-CB 3.23Å; G158-D162 WeakPolarHBondContact O-CB 3.49Å; G158-D162 PolarHBondContact O-N 3.05Å; V160-D162 VanDerWaalsContact C-N 3.34Å; D162-V164 PolarHBondContact O-N 3.42Å; D162-L165 PolarHBondContact O-N 2.98Å; D162-H166 PolarHBondContact O-N 2.98Å; D162-H166 PolarHBondContact O-ND1 3.15Å; D162-H166 IonicContact OD1-CE1 2.79Å; D162-H166 PolarHBondContact OD1-CE1 3.14Å; D162-H166 IonicContact OD1-ND1 3.79Å; D162-H166 IonicContact OD2-CE1 2.74Å; D162-H166 IonicContact OD2-ND1 2.84Å
163Y98Very high92.7Very high69 Ų6980.5 Ų80.527%0.27140%0.404SS..Hα-helixtrans-59.9-49.8176.5-172.2-82.5000111.7E128 V131 S159 V160 L165 H166 H167E128-Y163 HydrophobicContact CB-CE1 4.41Å; E128-Y163 HydrophobicContact CG-CE1 3.82Å; E128-Y163 HydrophobicContact CG-CE2 4.14Å; E128-Y163 VanDerWaalsContact CG-CZ 3.44Å; E128-Y163 WeakPolarHBondContact CG-OH 3.06Å; V131-Y163 HydrophobicContact CG2-CD1 4.22Å; V131-Y163 HydrophobicContact CG2-CE1 4.06Å; S159-Y163 VanDerWaalsContact O-CB 3.31Å; S159-Y163 WeakPolarHBondContact O-CB 3.4Å; S159-Y163 PolarHBondContact O-N 2.86Å; V160-Y163 PolarHBondContact O-N 3.46Å; Y163-L165 VanDerWaalsContact C-N 3.31Å; Y163-L165 PolarHBondContact O-N 3.2Å; Y163-H166 PolarHBondContact O-N 3.14Å; Y163-H167 HydrophobicContact CD1-CB 4.38Å; Y163-H167 AromaticContact CD1-ND1 3.83Å; Y163-H167 AromaticContact CD2-CE1 3.77Å; Y163-H167 AromaticContact CD2-ND1 3.82Å; Y163-H167 HydrophobicContact CE1-CB 3.94Å; Y163-H167 AromaticContact CE1-CG 3.8Å; Y163-H167 AromaticContact CE1-ND1 3.75Å; Y163-H167 AromaticContact CE2-CE1 3.53Å; Y163-H167 AromaticContact CE2-ND1 3.74Å; Y163-H167 AromaticContact CE2-NE2 3.93Å; Y163-H167 AromaticContact CG-ND1 3.85Å; Y163-H167 AromaticContact CZ-CD2 3.96Å; Y163-H167 AromaticContact CZ-CE1 3.82Å; Y163-H167 AromaticContact CZ-CG 3.78Å; Y163-H167 AromaticContact CZ-ND1 3.68Å; Y163-H167 AromaticContact CZ-NE2 3.99Å; Y163-H167 PolarHBondContact O-N 3.34Å; Y163-H167 VanDerWaalsContact O-N 3.16Å; Y163-H167 PolarHBondContact O-ND1 3.18Å
164V98.5Very high94Very high1 Ų172.9 Ų72.91%0.00637%0.373CS..Hα-helixtrans-60.2-42.2-179.71720000111I130 V131 V142 I144 V160 D162 H166 H167 A168 V172I130-V164 HydrophobicContact CB-CG2 3.87Å; I130-V164 HydrophobicContact CD1-CG2 4.08Å; I130-V164 HydrophobicContact CG2-CG1 4.26Å; I130-V164 HydrophobicContact CG2-CG2 3.6Å; V131-V164 HydrophobicContact CG2-CG2 4.4Å; V142-V164 HydrophobicContact CG1-CG1 3.97Å; I144-V164 HydrophobicContact CD1-CG2 4.43Å; V160-V164 VanDerWaalsContact O-CG2 3.27Å; V160-V164 WeakPolarHBondContact O-CG2 3.41Å; V160-V164 PolarHBondContact O-N 2.9Å; D162-V164 PolarHBondContact O-N 3.42Å; V164-H166 VanDerWaalsContact C-N 3.26Å; V164-H166 PolarHBondContact O-N 3.08Å; V164-H167 PolarHBondContact O-N 3.05Å; V164-A168 HydrophobicContact CG1-CB 4.26Å; V164-A168 WeakPolarHBondContact O-CB 3.47Å; V164-A168 PolarHBondContact O-N 3.44Å; V164-V172 HydrophobicContact CG1-CG1 4.11Å; V164-V172 HydrophobicContact CG1-CG2 4.15Å
165L98Very high95.2Very high82 Ų8262 Ų6243%0.42933%0.332SS..Hα-helixtrans-57.1-38.1177.9-178.260.8000112.9L157 S161 D162 Y163 V172 I174L157-L165 HydrophobicContact CD2-CD2 4.06Å; S161-L165 VanDerWaalsContact O-CB 3.31Å; S161-L165 WeakPolarHBondContact O-CB 3.48Å; S161-L165 PolarHBondContact O-N 2.92Å; D162-L165 PolarHBondContact O-N 2.98Å; Y163-L165 VanDerWaalsContact C-N 3.31Å; Y163-L165 PolarHBondContact O-N 3.2Å; L165-V172 HydrophobicContact CD1-CB 4.48Å; L165-I174 HydrophobicContact CB-CD1 4.05Å; L165-I174 HydrophobicContact CD1-CD1 4.13Å; L165-I174 HydrophobicContact CD2-CD1 3.97Å; L165-I174 HydrophobicContact CG-CD1 4.27Å
166H98.2Very high96Very high127 Ų12762.6 Ų62.659%0.58834%0.337SS*.Hα-helixtrans-87.1-17.9-176.3-69.395.6000114.3D162 Y163 V164D162-H166 PolarHBondContact O-N 2.98Å; D162-H166 PolarHBondContact O-ND1 3.15Å; D162-H166 IonicContact OD1-CE1 2.79Å; D162-H166 PolarHBondContact OD1-CE1 3.14Å; D162-H166 IonicContact OD1-ND1 3.79Å; D162-H166 IonicContact OD2-CE1 2.74Å; D162-H166 IonicContact OD2-ND1 2.84Å; Y163-H166 PolarHBondContact O-N 3.14Å; V164-H166 VanDerWaalsContact C-N 3.26Å; V164-H166 PolarHBondContact O-N 3.08Å
167H98.6Very high96.4Very high98 Ų9856 Ų5645%0.45432%0.315SS..Hα-helixtrans-123.1-15.2-169.6-60.686.6000114.4V131 Y163 V164V131-H167 HydrophobicContact CG1-CB 4.29Å; V131-H167 WeakPolarHBondContact CG1-O 3.46Å; V131-H167 HydrophobicContact CG2-CB 3.93Å; Y163-H167 HydrophobicContact CD1-CB 4.38Å; Y163-H167 AromaticContact CD1-ND1 3.83Å; Y163-H167 AromaticContact CD2-CE1 3.77Å; Y163-H167 AromaticContact CD2-ND1 3.82Å; Y163-H167 HydrophobicContact CE1-CB 3.94Å; Y163-H167 AromaticContact CE1-CG 3.8Å; Y163-H167 AromaticContact CE1-ND1 3.75Å; Y163-H167 AromaticContact CE2-CE1 3.53Å; Y163-H167 AromaticContact CE2-ND1 3.74Å; Y163-H167 AromaticContact CE2-NE2 3.93Å; Y163-H167 AromaticContact CG-ND1 3.85Å; Y163-H167 AromaticContact CZ-CD2 3.96Å; Y163-H167 AromaticContact CZ-CE1 3.82Å; Y163-H167 AromaticContact CZ-CG 3.78Å; Y163-H167 AromaticContact CZ-ND1 3.68Å; Y163-H167 AromaticContact CZ-NE2 3.99Å; Y163-H167 PolarHBondContact O-N 3.34Å; Y163-H167 VanDerWaalsContact O-N 3.16Å; Y163-H167 PolarHBondContact O-ND1 3.18Å; V164-H167 PolarHBondContact O-N 3.05Å
168A98.2Very high96.2Very high21 Ų2157.5 Ų57.517%0.17433%0.327CS..  trans-68.1136.317400000110.7V164 V170 V172V164-A168 HydrophobicContact CG1-CB 4.26Å; V164-A168 WeakPolarHBondContact O-CB 3.47Å; V164-A168 PolarHBondContact O-N 3.44Å; A168-V170 VanDerWaalsContact C-N 3.26Å; A168-V170 HydrophobicContact CB-CG2 4.38Å; A168-V172 HydrophobicContact CB-CG2 3.61Å
169N97.1Very high95.5Very high114 Ų11466.7 Ų66.761%0.6137%0.365SS*.SBendtrans-88.78.5174.763-19.1000113.1
170V98.5Very high94.5Very high27 Ų2769.8 Ų69.816%0.16437%0.367CS..SBendtrans-129.7157.6-176.1-63.80000109.4V139 V142 A168 V172V139-V170 HydrophobicContact CG2-CG2 4.29Å; V139-V170 WeakPolarHBondContact O-CG1 3.4Å; V142-V170 HydrophobicContact CG2-CG2 3.78Å; A168-V170 VanDerWaalsContact C-N 3.26Å; A168-V170 HydrophobicContact CB-CG2 4.38Å; V170-V172 WeakPolarHBondContact O-CG2 3.3Å; V170-V172 PolarHBondContact O-N 3.22Å
171P98.5Very high92.9Very high89 Ų8972.7 Ų72.758%0.57839%0.387SS*.  trans-50.9136.1175-28.235.2000112.8D140 L141 V142D140-P171 WeakPolarHBondContact O-CD 3.43Å; L141-P171 HydrophobicContact CD1-CB 3.88Å; V142-P171 PolarHBondContact N-O 3.44Å
172V98.7Very high91Very high35 Ų3582 Ų8221%0.21243%0.427CS..EExtended strand (participates in β ladder)trans-118.6125.3177.9-174.70000109.3V142 I144 V164 L165 A168 V170 I174V142-V172 HydrophobicContact CB-CG2 4.38Å; V142-V172 CarbonylContact O-C 3.52Å; V142-V172 WeakPolarHBondContact O-CA 2.71Å; I144-V172 HydrophobicContact CG2-CG1 4.27Å; V164-V172 HydrophobicContact CG1-CG1 4.11Å; V164-V172 HydrophobicContact CG1-CG2 4.15Å; L165-V172 HydrophobicContact CD1-CB 4.48Å; A168-V172 HydrophobicContact CB-CG2 3.61Å; V170-V172 WeakPolarHBondContact O-CG2 3.3Å; V170-V172 PolarHBondContact O-N 3.22Å; V172-I174 HydrophobicContact CG1-CD1 4.46Å; V172-I174 HydrophobicContact CG1-CG1 3.91Å
173I98.4Very high88.9Confident51 Ų5188.7 Ų88.726%0.26245%0.453SS..EExtended strand (participates in β ladder)trans-106.3118.1171.3-53.9177.8000108.5W47 L141 V142 I143 I144 I175W47-I173 HydrophobicContact CH2-CD1 4.41Å; W47-I173 HydrophobicContact CH2-CG2 4.13Å; W47-I173 HydrophobicContact CZ3-CD1 4.25Å; W47-I173 HydrophobicContact CZ3-CG2 3.96Å; L141-I173 HydrophobicContact CD1-CD1 3.91Å; L141-I173 HydrophobicContact CD1-CG1 3.9Å; L141-I173 HydrophobicContact CD2-CD1 4.1Å; L141-I173 HydrophobicContact CG-CD1 4.45Å; V142-I173 PolarHBondContact O-N 2.82Å; I143-I173 WeakPolarHBondContact CA-O 3.29Å; I143-I173 HydrophobicContact CD1-CD1 4.45Å; I143-I173 HydrophobicContact CG1-CB 4.27Å; I143-I173 HydrophobicContact CG1-CD1 4.34Å; I144-I173 PolarHBondContact N-O 3.25Å; I173-I175 HydrophobicContact CG2-CD1 3.52Å
174I98.1Very high86.6Confident44 Ų4498.4 Ų98.423%0.22650%0.496CS..EExtended strand (participates in β ladder)trans-104118.9178.7-55.3-176.7000109.1I144 N146 L157 L165 V172 P176I144-I174 HydrophobicContact CG2-CG1 4.04Å; I144-I174 WeakPolarHBondContact O-CA 3.48Å; N146-I174 HydrophobicContact CB-CG2 3.7Å; L157-I174 HydrophobicContact CD1-CD1 3.92Å; L157-I174 HydrophobicContact CD1-CG2 3.73Å; L157-I174 HydrophobicContact CD2-CD1 4.2Å; L165-I174 HydrophobicContact CB-CD1 4.05Å; L165-I174 HydrophobicContact CD1-CD1 4.13Å; L165-I174 HydrophobicContact CD2-CD1 3.97Å; L165-I174 HydrophobicContact CG-CD1 4.27Å; V172-I174 HydrophobicContact CG1-CD1 4.46Å; V172-I174 HydrophobicContact CG1-CG1 3.91Å; I174-P176 WeakPolarHBondContact O-CD 3.32Å
175I97.1Very high86Confident9 Ų9103.3 Ų103.35%0.04652%0.521CS..EExtended strand (participates in β ladder)trans-91.1115.8-176.9-47.1-57.6000109.8R43 A44 W47 I143 I144 N146 I173R43-I175 HydrophobicContact CG-CG2 4.4Å; R43-I175 VanDerWaalsContact NH1-CB 3.29Å; R43-I175 PolarHBondContact NH1-O 3.38Å; R43-I175 PolarHBondContact NH2-O 3.23Å; A44-I175 HydrophobicContact CB-CB 3.95Å; A44-I175 HydrophobicContact CB-CG1 3.73Å; W47-I175 HydrophobicContact CB-CD1 4.49Å; W47-I175 HydrophobicContact CB-CG2 4.13Å; W47-I175 HydrophobicContact CD2-CD1 3.56Å; W47-I175 HydrophobicContact CD2-CG1 4.48Å; W47-I175 HydrophobicContact CE3-CD1 3.35Å; W47-I175 HydrophobicContact CE3-CG1 4.28Å; W47-I175 HydrophobicContact CG-CD1 4.05Å; W47-I175 HydrophobicContact CG-CG2 4.24Å; W47-I175 HydrophobicContact CH2-CD1 4.41Å; W47-I175 HydrophobicContact CZ3-CD1 3.82Å; I143-I175 HydrophobicContact CG2-CD1 4.33Å; I143-I175 HydrophobicContact CG2-CG1 4.07Å; I144-I175 PolarHBondContact O-N 3.39Å; N146-I175 WeakPolarHBondContact CB-O 3.45Å; N146-I175 PolarHBondContact N-O 3.38Å; N146-I175 PolarHBondContact OD1-O 3.25Å; I173-I175 HydrophobicContact CG2-CD1 3.52Å
176P94Very high85.4Confident79 Ų79104.4 Ų104.451%0.51353%0.526SS..PPolyproline II helixtrans-74.8165.8-175.632.5-36.9000112.3R43 I174R43-P176 PolarHBondContact NE-O 3.28Å; R43-P176 PolarHBondContact NH2-O 2.92Å; R43-P176 VanDerWaalsContact NH2-O 3.08Å; I174-P176 WeakPolarHBondContact O-CD 3.32Å
177P89.3Confident84.7Confident63 Ų63103.1 Ų103.141%0.40952%0.522SS..PPolyproline II helixtrans-62161170.630.7-36.2000111N146N146-P177 WeakPolarHBondContact OD1-CD 3.46Å
178P86.1Confident83.9Confident73 Ų73103.4 Ų103.447%0.47453%0.526SS..PPolyproline II helixtrans-60.5141.2174.627-34.6000110.9H180P178-H180 PolarHBondContact O-N 3.49Å
179K77.2Confident83Confident201 Ų201108.6 Ų108.687%0.87455%0.548SS*.SBendtrans-57-31.1178.5-71.1-175.1178.4179.90112.9
180H73.5Confident82Confident167 Ų167108.2 Ų108.277%0.77354%0.544SS*.SBendtrans-125.7105.5172.5-61.198.2000108.2P178 K182P178-H180 PolarHBondContact O-N 3.49Å; H180-K182 PolarHBondContact O-N 3.45Å
181P61.6Low80.9Confident103 Ų103114 Ų11467%0.66957%0.571SS**PPolyproline II helixtrans-56.2133.1168.4-18.129.9000108.1K183P181-K183 PolarHBondContact O-N 3.47Å; P181-K183 VanDerWaalsContact O-N 3.12Å
182K56.8Low79.5Confident199 Ų199115.9 Ų115.987%0.86557%0.571SS**PPolyproline II helixtrans-53.7124.4171-70.2-176.3179.1179.40107.2H180 K184H180-K182 PolarHBondContact O-N 3.45Å; K182-K184 PolarHBondContact O-N 2.94Å; K182-K184 VanDerWaalsContact O-N 3.15Å
183K51.8Low77.9Confident210 Ų210122.7 Ų122.791%0.91360%0.601SS**PPolyproline II helixtrans-58.9120166.3-75.1-175.7177-179.50105.9P181P181-K183 PolarHBondContact O-N 3.47Å; P181-K183 VanDerWaalsContact O-N 3.12Å
184K51.1Low76Confident273 Ų273129.2 Ų129.2100%1.18763%0.632SS**  trans-65.60167.5-76.7-169176-173.30109.4K182K182-K184 PolarHBondContact O-N 2.94Å; K182-K184 VanDerWaalsContact O-N 3.15Å

Retrieved 184 of 184 residues in 46.3 ms (Link to these results)

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