G4VSB1_SCHMA Loading...

SPATA6 domain-containing protein

AlphaFold DB , UniProt , Accession G4VSB1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 303 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
1M69.4Low91.9Very high160 Ų16045.7 Ų45.779%0.78823%0.23SC*.  0137.70-74.2178.7166.800108.2A152 Y155M1-A152 WeakPolarHBondContact O-CB 3.33Å; M1-Y155 PolarHBondContact N-OH 2.64Å
2P79.5Confident92.4Very high57 Ų5742 Ų4237%0.3721%0.211SC..  trans-59.1144.5176.926.5-33.9000110.6Y4P2-Y4 HydrophobicContact CB-CE2 4.11Å; P2-Y4 HydrophobicContact CG-CE2 4.04Å
3V89.4Confident92.7Very high36 Ų3640.2 Ų40.222%0.21820%0.202CC..EExtended strand (participates in β ladder)trans-112.5118.3177.2178.40000108.6T61 Y63 H150V3-T61 HydrophobicContact CG1-CG2 3.33Å; V3-Y63 HydrophobicContact CG1-CD1 4.19Å; V3-Y63 HydrophobicContact CG1-CE1 4.35Å; V3-Y63 HydrophobicContact CG2-CD1 4.46Å; V3-H150 PolarHBondContact N-O 2.88Å; V3-H150 PolarHBondContact O-N 2.79Å
4Y93Very high93.1Very high19 Ų1937.4 Ų37.48%0.07519%0.189CC..EExtended strand (participates in β ladder)trans-92.5137.8177.2-65.8-89.1000110.8P2 F62 A65 A68 V71 M114 I147 K148 C149P2-Y4 HydrophobicContact CB-CE2 4.11Å; P2-Y4 HydrophobicContact CG-CE2 4.04Å; Y4-F62 PolarHBondContact O-N 3.42Å; Y4-A65 HydrophobicContact CD2-CB 3.9Å; Y4-A65 WeakPolarHBondContact CD2-O 3.39Å; Y4-A65 WeakPolarHBondContact CE2-O 3.42Å; Y4-A65 HydrophobicContact CG-CB 4.42Å; Y4-A68 HydrophobicContact CE1-CB 4.35Å; Y4-V71 HydrophobicContact CG-CG2 4.01Å; Y4-M114 HydrophobicContact CE1-SD 4.15Å; Y4-I147 HydrophobicContact CD1-CG2 4.09Å; Y4-K148 CarbonylContact C-O 3.56Å; Y4-K148 WeakPolarHBondContact CA-O 3.37Å; Y4-C149 HydrophobicContact CD1-CB 4.01Å; Y4-C149 HydrophobicContact CE1-CB 3.78Å
5R94.9Very high93.4Very high83 Ų8334.9 Ų34.931%0.31318%0.176SC..EExtended strand (participates in β ladder)trans-122.9124.9173.3-171.4-178.1-172.3-176.8-0.2108.8E7 D59 K60 I147 K148R5-E7 HydrophobicContact CG-CG 4.37Å; R5-D59 IonicContact CZ-OD2 3.32Å; R5-D59 IonicContact NE-OD2 3.78Å; R5-D59 PolarHBondContact NE-OD2 3.28Å; R5-D59 IonicContact NH2-OD1 3.61Å; R5-D59 IonicContact NH2-OD2 3.52Å; R5-D59 PolarHBondContact NH2-OD2 2.99Å; R5-K60 WeakPolarHBondContact CA-O 3.42Å; R5-I147 WeakPolarHBondContact O-CA 3.23Å; R5-K148 PolarHBondContact N-O 3.23Å; R5-K148 PolarHBondContact O-N 2.73Å
6F97.3Very high93.6Very high0 Ų037.6 Ų37.60%018%0.184CC..EExtended strand (participates in β ladder)trans-86.5135.6166174.6-93000108.9F35 D59 K60 F62 V71 L75 F108 P110 I147F6-F35 AromaticContact CD1-CE2 3.59Å; F6-F35 HydrophobicContact CD1-CE2 3.59Å; F6-F35 AromaticContact CD1-CZ 3.42Å; F6-F35 HydrophobicContact CD1-CZ 3.42Å; F6-F35 VanDerWaalsContact CD1-CZ 3.42Å; F6-F35 AromaticContact CE1-CE2 3.77Å; F6-F35 HydrophobicContact CE1-CE2 3.77Å; F6-F35 AromaticContact CE1-CZ 3.55Å; F6-F35 HydrophobicContact CE1-CZ 3.55Å; F6-F35 HydrophobicContact CG-CZ 4.42Å; F6-D59 CarbonylContact O-C 3.48Å; F6-D59 WeakPolarHBondContact O-CA 3.4Å; F6-D59 WeakPolarHBondContact O-CB 3.25Å; F6-K60 PolarHBondContact N-O 3.36Å; F6-K60 PolarHBondContact O-N 3.27Å; F6-F62 HydrophobicContact CB-CD2 4.48Å; F6-F62 HydrophobicContact CB-CE2 3.79Å; F6-V71 HydrophobicContact CB-CG1 4.32Å; F6-L75 HydrophobicContact CD1-CD2 4.44Å; F6-L75 HydrophobicContact CD2-CD1 3.64Å; F6-L75 HydrophobicContact CD2-CD2 4.49Å; F6-L75 HydrophobicContact CE2-CD1 3.8Å; F6-L75 HydrophobicContact CG-CD1 4.24Å; F6-L75 HydrophobicContact CG-CD2 4.32Å; F6-F108 HydrophobicContact CE1-CD1 4.33Å; F6-F108 HydrophobicContact CE1-CD2 4.17Å; F6-F108 HydrophobicContact CE1-CE2 4.34Å; F6-F108 HydrophobicContact CE1-CG 4.2Å; F6-F108 HydrophobicContact CE2-CB 4.28Å; F6-F108 HydrophobicContact CZ-CB 3.73Å; F6-F108 AromaticContact CZ-CD1 3.79Å; F6-F108 HydrophobicContact CZ-CD1 3.79Å; F6-F108 AromaticContact CZ-CD2 3.85Å; F6-F108 HydrophobicContact CZ-CD2 3.85Å; F6-F108 HydrophobicContact CZ-CE1 4.41Å; F6-F108 HydrophobicContact CZ-CE2 4.43Å; F6-F108 AromaticContact CZ-CG 3.52Å; F6-F108 HydrophobicContact CZ-CG 3.52Å; F6-P110 HydrophobicContact CE2-CB 4.08Å; F6-I147 HydrophobicContact CD2-CG1 4.11Å
7E97.4Very high93.7Very high51 Ų5135.6 Ų35.624%0.23818%0.175CC..EExtended strand (participates in β ladder)trans-125129.6171.5-65.5176.5-173.800108.3R5 D59 S145 A146 K148R5-E7 HydrophobicContact CG-CG 4.37Å; E7-D59 HydrophobicContact CG-CB 4.33Å; E7-S145 CarbonylContact O-C 3.52Å; E7-S145 WeakPolarHBondContact O-CA 3.23Å; E7-A146 PolarHBondContact N-O 2.86Å; E7-A146 PolarHBondContact O-N 2.81Å; E7-K148 WeakPolarHBondContact OE1-CD 3.42Å; E7-K148 WeakPolarHBondContact OE1-CE 3.16Å; E7-K148 IonicContact OE1-NZ 2.89Å; E7-K148 PolarHBondContact OE1-NZ 3.39Å; E7-K148 WeakPolarHBondContact OE2-CE 3.18Å; E7-K148 IonicContact OE2-NZ 2.64Å; E7-K148 PolarHBondContact OE2-NZ 2.97Å
8G97.4Very high93.7Very high1 Ų139.4 Ų39.41%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-137.5124.2-17800000111.3F58 S144G8-F58 PolarHBondContact N-O 2.85Å; G8-F58 PolarHBondContact O-N 2.83Å; G8-S144 CarbonylContact C-O 3.6Å; G8-S144 WeakPolarHBondContact CA-O 3.46Å
9D97.8Very high93.5Very high42 Ų4240.9 Ų40.923%0.22523%0.228CC..EExtended strand (participates in β ladder)trans-106.9134.9173.6-75.5-29.5000109.7K55 F56 S57 V143 S144D9-K55 WeakPolarHBondContact OD1-CE 3.18Å; D9-K55 IonicContact OD1-NZ 3.44Å; D9-K55 WeakPolarHBondContact OD2-CE 3.2Å; D9-K55 IonicContact OD2-NZ 2.76Å; D9-K55 PolarHBondContact OD2-NZ 3.18Å; D9-F56 CarbonylContact C-O 3.48Å; D9-F56 WeakPolarHBondContact CA-O 3.28Å; D9-S57 WeakPolarHBondContact OD1-CA 3.26Å; D9-S57 WeakPolarHBondContact OD1-CB 3.36Å; D9-S57 PolarHBondContact OD1-OG 3.49Å; D9-V143 CarbonylContact O-C 3.6Å; D9-V143 VanDerWaalsContact O-CA 3.3Å; D9-V143 WeakPolarHBondContact O-CA 2.95Å; D9-S144 WeakPolarHBondContact CB-OG 3.22Å; D9-S144 PolarHBondContact N-O 3.04Å; D9-S144 PolarHBondContact O-N 3.29Å
10V97.7Very high93.5Very high0 Ų039.5 Ų39.50%022%0.221CC..EExtended strand (participates in β ladder)trans-122.3123.7177.3-171.50000108.1I12 I32 K55 F56 F58 F107 F108 Y141 V143V10-I12 HydrophobicContact CG1-CG1 4.28Å; V10-I32 HydrophobicContact CB-CD1 4.05Å; V10-I32 HydrophobicContact CG1-CD1 3.81Å; V10-I32 HydrophobicContact CG2-CD1 4Å; V10-K55 CarbonylContact O-C 3.55Å; V10-K55 WeakPolarHBondContact O-CA 3.45Å; V10-F56 PolarHBondContact N-O 2.91Å; V10-F56 PolarHBondContact O-N 3.4Å; V10-F58 HydrophobicContact CG2-CD2 4.29Å; V10-F58 HydrophobicContact CG2-CE2 4.28Å; V10-F107 HydrophobicContact CG1-CE1 4.11Å; V10-F107 HydrophobicContact CG1-CZ 3.95Å; V10-F107 HydrophobicContact CG2-CE1 3.67Å; V10-F107 HydrophobicContact CG2-CZ 4.34Å; V10-F108 HydrophobicContact CG2-CE1 3.64Å; V10-F108 HydrophobicContact CG2-CZ 3.78Å; V10-Y141 HydrophobicContact CG1-CD2 4.46Å; V10-V143 HydrophobicContact CG1-CG2 4.39Å
11N97.6Very high93.3Very high54 Ų5445.9 Ų45.929%0.28924%0.242SC..EExtended strand (participates in β ladder)trans-110.7112.6171.7-178.513.7000108.6E54 Y141 S142N11-E54 WeakPolarHBondContact CA-O 3.48Å; N11-E54 PolarHBondContact OD1-O 3.44Å; N11-Y141 CarbonylContact O-C 3.44Å; N11-Y141 VanDerWaalsContact O-CA 3.23Å; N11-Y141 WeakPolarHBondContact O-CA 3.47Å; N11-Y141 WeakPolarHBondContact O-CB 3.48Å; N11-S142 WeakPolarHBondContact CB-OG 3.47Å; N11-S142 PolarHBondContact N-O 3.27Å; N11-S142 PolarHBondContact O-N 3.08Å
12I97.5Very high94.4Very high1 Ų138.6 Ų38.61%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-87.5114176.7-62-178.8000107.5V10 L30 I52 H53 E54 F56 L139V10-I12 HydrophobicContact CG1-CG1 4.28Å; I12-L30 HydrophobicContact CD1-CD2 4.37Å; I12-L30 HydrophobicContact CG2-CD2 4.28Å; I12-I52 HydrophobicContact CB-CG2 4.21Å; I12-I52 HydrophobicContact CG2-CB 4.04Å; I12-I52 HydrophobicContact CG2-CD1 3.47Å; I12-I52 VanDerWaalsContact CG2-CD1 3.47Å; I12-I52 HydrophobicContact CG2-CG1 4.32Å; I12-I52 HydrophobicContact CG2-CG2 3.96Å; I12-H53 VanDerWaalsContact O-CA 3.25Å; I12-H53 WeakPolarHBondContact O-CA 3.34Å; I12-H53 PolarHBondContact O-N 3.11Å; I12-E54 PolarHBondContact N-O 3.28Å; I12-E54 PolarHBondContact O-N 2.98Å; I12-E54 VanDerWaalsContact O-N 3.12Å; I12-F56 HydrophobicContact CD1-CD2 4.17Å; I12-F56 HydrophobicContact CD1-CE2 3.84Å; I12-F56 HydrophobicContact CG1-CD2 4.33Å; I12-F56 HydrophobicContact CG1-CE2 4.21Å; I12-L139 HydrophobicContact CG2-CD1 3.72Å
13N97Very high94.7Very high18 Ų1844 Ų4410%0.09623%0.23CC..EExtended strand (participates in β ladder)trans-83.6-58.2-175.9-63.2-27.6000109.8I52 H53 E140N13-I52 PolarHBondContact O-N 3.37Å; N13-H53 PolarHBondContact O-N 3.02Å; N13-E140 HydrophobicContact CB-CB 4.34Å; N13-E140 HydrophobicContact CB-CG 4.03Å; N13-E140 WeakPolarHBondContact CB-O 3.42Å; N13-E140 PolarHBondContact N-O 3Å; N13-E140 PolarHBondContact ND2-OE1 2.83Å
14C97.2Very high94.5Very high2 Ų245.2 Ų45.21%0.01424%0.235CC..EExtended strand (participates in β ladder)trans-164.7168.9-178.160.80000113.2Y16 L50 L51 E140C14-Y16 WeakPolarHBondContact SG-CE2 3.43Å; C14-Y16 PolarHBondContact SG-OH 3.34Å; C14-L50 CarbonylContact C-O 3.53Å; C14-L50 WeakPolarHBondContact CA-O 3.32Å; C14-L50 WeakPolarHBondContact CB-O 3.41Å; C14-L51 HydrophobicContact CB-CD2 4.08Å; C14-E140 PolarHBondContact N-O 2.81Å; C14-E140 PolarHBondContact O-N 2.86Å; C14-E140 PolarHBondContact SG-OE2 3.31Å
15V97.6Very high94.2Very high0 Ų050.7 Ų50.70%026%0.256CS..EExtended strand (participates in β ladder)trans-121.6123.3170-1790000109.7L30 F48 P49 L50 I52 I84 P137 R138 L139V15-L30 HydrophobicContact CG2-CD1 4.4Å; V15-L30 HydrophobicContact CG2-CD2 3.85Å; V15-F48 HydrophobicContact CB-CE1 4.4Å; V15-F48 HydrophobicContact CG1-CD1 4.32Å; V15-F48 HydrophobicContact CG1-CE1 3.81Å; V15-P49 CarbonylContact O-C 3.49Å; V15-P49 VanDerWaalsContact O-CA 3.27Å; V15-P49 WeakPolarHBondContact O-CA 3.18Å; V15-L50 HydrophobicContact CB-CB 4.16Å; V15-L50 HydrophobicContact CB-CD1 4.22Å; V15-L50 HydrophobicContact CB-CG 4.44Å; V15-L50 PolarHBondContact N-O 2.74Å; V15-L50 PolarHBondContact O-N 3.45Å; V15-I52 HydrophobicContact CG2-CD1 3.89Å; V15-I84 HydrophobicContact CG1-CD1 3.72Å; V15-I84 HydrophobicContact CG2-CD1 4.24Å; V15-P137 HydrophobicContact CG1-CB 3.62Å; V15-R138 CarbonylContact C-O 3.55Å; V15-R138 WeakPolarHBondContact CA-O 3.36Å; V15-L139 HydrophobicContact CG2-CD1 3.62Å
16Y96.4Very high94Very high78 Ų7849.5 Ų49.531%0.30626%0.256SS..EExtended strand (participates in β ladder)trans-100132.2175.1-61.1-82.9000111C14 P49 P137 R138 E140C14-Y16 WeakPolarHBondContact SG-CE2 3.43Å; C14-Y16 PolarHBondContact SG-OH 3.34Å; Y16-P49 HydrophobicContact CD1-CB 3.6Å; Y16-P49 HydrophobicContact CD1-CG 4.34Å; Y16-P49 HydrophobicContact CE1-CB 3.82Å; Y16-P49 HydrophobicContact CE1-CG 4.28Å; Y16-P49 HydrophobicContact CG-CB 4.4Å; Y16-P137 CarbonylContact O-C 3.57Å; Y16-P137 WeakPolarHBondContact O-CA 3.39Å; Y16-R138 PolarHBondContact N-O 2.72Å; Y16-R138 PolarHBondContact O-N 3.44Å; Y16-E140 HydrophobicContact CE2-CB 4.25Å; Y16-E140 PolarHBondContact OH-OE2 3.13Å
17S95.9Very high93.8Very high4 Ų452.2 Ų52.23%0.02827%0.27CS..  trans-15087.9167.6-170.50000109.1T20 F132 V135S17-T20 PolarHBondContact O-N 3.06Å; S17-T20 WeakPolarHBondContact OG-CB 3.45Å; S17-T20 PolarHBondContact OG-OG1 3.41Å; S17-F132 WeakPolarHBondContact OG-CE1 3.17Å; S17-F132 WeakPolarHBondContact OG-CZ 3.3Å; S17-V135 PolarHBondContact OG-O 3.05Å
18P93.5Very high93.7Very high104 Ų10449.8 Ų49.868%0.67526%0.259SS*.THydrogen-bonded Turntrans-67.3137.4-173.726.8-34000111.5T20 V135P18-T20 PolarHBondContact O-N 3.12Å; P18-V135 HydrophobicContact CG-CG2 4.05Å
19G90.9Very high93.6Very high67 Ų6749.7 Ų49.769%0.69126%0.258SS*.THydrogen-bonded Turntrans74.41178.800000114.9W21G19-W21 VanDerWaalsContact O-CD1 3.29Å; G19-W21 PolarHBondContact O-N 2.81Å
20T92.6Very high93.5Very high13 Ų1347.8 Ų47.88%0.0825%0.248CC..  trans-78.2124.3178.6-66.30000111.1S17 P18 L22 F48 F132 P133S17-T20 PolarHBondContact O-N 3.06Å; S17-T20 WeakPolarHBondContact OG-CB 3.45Å; S17-T20 PolarHBondContact OG-OG1 3.41Å; P18-T20 PolarHBondContact O-N 3.12Å; T20-L22 HydrophobicContact CG2-CD2 4.01Å; T20-F48 HydrophobicContact CG2-CD2 4.23Å; T20-F48 HydrophobicContact CG2-CE2 4.06Å; T20-F132 HydrophobicContact CG2-CD1 4.39Å; T20-F132 HydrophobicContact CG2-CE1 3.65Å; T20-F132 HydrophobicContact CG2-CE2 4.39Å; T20-F132 HydrophobicContact CG2-CZ 3.66Å; T20-P133 HydrophobicContact CG2-CG 4.36Å; T20-P133 WeakPolarHBondContact CG2-O 3.26Å; T20-P133 PolarHBondContact OG1-O 2.76Å
21W90.1Very high93.5Very high174 Ų17448 Ų4866%0.65925%0.25SC*.  trans-123.7105.6175.8-71.995.4000108.6G19 R25 P133G19-W21 VanDerWaalsContact O-CD1 3.29Å; G19-W21 PolarHBondContact O-N 2.81Å; W21-R25 VanDerWaalsContact CE3-CZ 3.45Å; W21-R25 VanDerWaalsContact CZ3-NH1 3.28Å; W21-P133 WeakPolarHBondContact O-CG 3.49Å
22L91.7Very high93.4Very high6 Ų645.5 Ų45.53%0.03124%0.236CC..  trans-69.2135.4176.6-59.1-172.6000109.9T20 N24 L28 A46 F48 L97 F132 P133T20-L22 HydrophobicContact CG2-CD2 4.01Å; L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 CarbonylContact C-O 3.13Å; L22-N24 WeakPolarHBondContact CB-O 3.46Å; L22-L28 HydrophobicContact CD1-CD1 3.85Å; L22-L28 HydrophobicContact CD1-CD2 3.73Å; L22-L28 HydrophobicContact CD1-CG 4.29Å; L22-A46 HydrophobicContact CD1-CB 4.05Å; L22-F48 HydrophobicContact CG-CE2 4.49Å; L22-L97 HydrophobicContact CD1-CD1 3.63Å; L22-L97 HydrophobicContact CD2-CD1 4.21Å; L22-F132 HydrophobicContact CD2-CD2 4.41Å; L22-P133 HydrophobicContact CD2-CG 4Å
23I86.8Confident93.4Very high170 Ų17047.2 Ų47.287%0.87224%0.244SC*.SBendtrans-61.8-46.3178.1-63.8170.5000109.2
24N85Confident93.4Very high63 Ų6346.4 Ų46.434%0.33724%0.239SC..SBendtrans-85.3137.5170.8-170.5-2.6000109.8L22 D26 Q86L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 CarbonylContact C-O 3.13Å; L22-N24 WeakPolarHBondContact CB-O 3.46Å; N24-D26 VanDerWaalsContact CG-OD2 3.32Å; N24-D26 PolarHBondContact ND2-OD2 2.79Å; N24-D26 PolarHBondContact OD1-N 3Å; N24-D26 PolarHBondContact OD1-OD2 2.95Å; N24-D26 VanDerWaalsContact OD1-OD2 3.13Å; N24-Q86 VanDerWaalsContact C-NE2 3.33Å; N24-Q86 PolarHBondContact O-NE2 3.42Å
25R87Confident93.3Very high134 Ų13447.2 Ų47.251%0.50624%0.243SC..  trans-98.96.5180-62-59.5-172.2155.35.7113.6W21W21-R25 VanDerWaalsContact CE3-CZ 3.45Å; W21-R25 VanDerWaalsContact CZ3-NH1 3.28Å
26D90.6Very high93.1Very high57 Ų5749.9 Ų49.931%0.30527%0.27SS..PPolyproline II helixtrans-58.6152.3176.3-72-26.3000112.4N24 A46 Q86 I87N24-D26 VanDerWaalsContact CG-OD2 3.32Å; N24-D26 PolarHBondContact ND2-OD2 2.79Å; N24-D26 PolarHBondContact OD1-N 3Å; N24-D26 PolarHBondContact OD1-OD2 2.95Å; N24-D26 VanDerWaalsContact OD1-OD2 3.13Å; D26-A46 WeakPolarHBondContact O-CB 3.25Å; D26-Q86 HydrophobicContact CB-CG 3.91Å; D26-Q86 PolarHBondContact O-NE2 3.41Å; D26-I87 WeakPolarHBondContact CB-O 3.14Å
27N93.2Very high93Very high57 Ų5749.7 Ų49.731%0.30527%0.274SS..PPolyproline II helixtrans-59144.9-178.5-71.3-29.8000112.1L43 L44 N45 I87N27-L43 HydrophobicContact CB-CB 4.19Å; N27-L44 CarbonylContact C-O 3.53Å; N27-L44 VanDerWaalsContact CA-O 3.27Å; N27-L44 WeakPolarHBondContact CA-O 3.42Å; N27-N45 PolarHBondContact OD1-OD1 3.35Å; N27-I87 HydrophobicContact CB-CD1 3.88Å; N27-I87 WeakPolarHBondContact O-CG1 3.24Å; N27-I87 PolarHBondContact O-N 2.99Å
28L94.8Very high93Very high0 Ų052.4 Ų52.40%029%0.287CS..EExtended strand (participates in β ladder)trans-100.2157174.6-54.4-176.3000110.3L22 L43 L44 A46 F48 L50 I84 R85 Q86 L97L22-L28 HydrophobicContact CD1-CD1 3.85Å; L22-L28 HydrophobicContact CD1-CD2 3.73Å; L22-L28 HydrophobicContact CD1-CG 4.29Å; L28-L43 WeakPolarHBondContact O-CA 3.27Å; L28-L44 PolarHBondContact N-O 3.23Å; L28-L44 PolarHBondContact O-N 3.22Å; L28-A46 HydrophobicContact CD1-CB 4.15Å; L28-A46 HydrophobicContact CD2-CB 4.37Å; L28-A46 HydrophobicContact CG-CB 3.95Å; L28-F48 HydrophobicContact CD1-CE2 4.24Å; L28-F48 HydrophobicContact CD1-CZ 4.04Å; L28-L50 HydrophobicContact CB-CD1 4.45Å; L28-L50 HydrophobicContact CD1-CD1 3.77Å; L28-L50 HydrophobicContact CD1-CD2 4Å; L28-L50 HydrophobicContact CD1-CG 4.48Å; L28-I84 HydrophobicContact CD1-CG2 4.48Å; L28-R85 CarbonylContact C-O 3.58Å; L28-R85 WeakPolarHBondContact CA-O 3.31Å; L28-Q86 HydrophobicContact CD2-CB 3.5Å; L28-Q86 HydrophobicContact CD2-CG 3.7Å; L28-L97 HydrophobicContact CD2-CD1 3.77Å
29Y94.9Very high93.1Very high0 Ų051 Ų510%027%0.271CS..EExtended strand (participates in β ladder)trans-148.3157.2165.464.3-79.9000108.9T31 R40 L43 R85 I87 G93Y29-T31 HydrophobicContact CD2-CG2 3.9Å; Y29-T31 HydrophobicContact CE2-CG2 3.52Å; Y29-R40 HydrophobicContact CD2-CB 4.15Å; Y29-L43 HydrophobicContact CD1-CD2 4.15Å; Y29-L43 HydrophobicContact CG-CD2 4.31Å; Y29-R85 HydrophobicContact CD1-CB 4.34Å; Y29-R85 HydrophobicContact CE1-CB 3.74Å; Y29-R85 HydrophobicContact CE2-CB 4.09Å; Y29-R85 PolarHBondContact N-O 3.44Å; Y29-R85 PolarHBondContact O-N 3.41Å; Y29-I87 HydrophobicContact CD1-CG1 4.08Å; Y29-I87 HydrophobicContact CE1-CG1 4.13Å; Y29-G93 PolarHBondContact OH-O 3.27Å
30L96.6Very high93.2Very high1 Ų151 Ų511%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-102.3144.3171.2-76.273000109.8I12 V15 R40 T41 L50 I52 I82 E83 I84 L139I12-L30 HydrophobicContact CD1-CD2 4.37Å; I12-L30 HydrophobicContact CG2-CD2 4.28Å; V15-L30 HydrophobicContact CG2-CD1 4.4Å; V15-L30 HydrophobicContact CG2-CD2 3.85Å; L30-R40 CarbonylContact O-C 3.57Å; L30-R40 WeakPolarHBondContact O-CA 3.15Å; L30-R40 WeakPolarHBondContact O-CB 3.25Å; L30-T41 HydrophobicContact CB-CG2 3.82Å; L30-T41 PolarHBondContact N-OG1 3.09Å; L30-T41 PolarHBondContact O-N 3.16Å; L30-L50 HydrophobicContact CD1-CD1 4.44Å; L30-I52 HydrophobicContact CD1-CD1 3.57Å; L30-I52 HydrophobicContact CD2-CD1 3.68Å; L30-I52 HydrophobicContact CG-CD1 4.23Å; L30-I82 HydrophobicContact CD2-CG2 4.25Å; L30-E83 CarbonylContact C-O 3.58Å; L30-E83 WeakPolarHBondContact CA-O 3.34Å; L30-E83 WeakPolarHBondContact CB-O 3.42Å; L30-I84 HydrophobicContact CD1-CG1 4.24Å; L30-I84 HydrophobicContact CD2-CG1 4.36Å; L30-I84 HydrophobicContact CG-CG1 3.95Å; L30-L139 HydrophobicContact CD2-CD1 3.94Å
31T95.8Very high93.4Very high6 Ų650.6 Ų50.64%0.03725%0.247CC..EExtended strand (participates in β ladder)trans-110.4143.5163.264.50000109.3Y29 I38 K39 R40 I82 E83Y29-T31 HydrophobicContact CD2-CG2 3.9Å; Y29-T31 HydrophobicContact CE2-CG2 3.52Å; T31-I38 HydrophobicContact CG2-CG2 4.45Å; T31-K39 CarbonylContact C-O 3.59Å; T31-K39 WeakPolarHBondContact CA-O 3.36Å; T31-R40 HydrophobicContact CG2-CB 4.25Å; T31-I82 CarbonylContact O-C 3.59Å; T31-I82 VanDerWaalsContact O-CA 3.27Å; T31-I82 WeakPolarHBondContact O-CA 3.34Å; T31-E83 PolarHBondContact N-O 2.92Å; T31-E83 PolarHBondContact O-N 3.43Å; T31-E83 WeakPolarHBondContact OG1-CB 3.42Å
32I97.3Very high93.6Very high1 Ų149.8 Ų49.81%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-127.3120.3170.9176.4164000108V10 V34 I38 K39 F56 F58 T81 I82V10-I32 HydrophobicContact CB-CD1 4.05Å; V10-I32 HydrophobicContact CG1-CD1 3.81Å; V10-I32 HydrophobicContact CG2-CD1 4Å; I32-V34 HydrophobicContact CD1-CG2 4.23Å; I32-V34 HydrophobicContact CG1-CG2 3.92Å; I32-I38 WeakPolarHBondContact O-CA 3.45Å; I32-K39 HydrophobicContact CG2-CB 4.16Å; I32-K39 PolarHBondContact N-O 3.39Å; I32-K39 PolarHBondContact O-N 2.79Å; I32-F56 HydrophobicContact CG2-CB 4.35Å; I32-F56 HydrophobicContact CG2-CD1 4.07Å; I32-F56 HydrophobicContact CG2-CD2 3.93Å; I32-F56 HydrophobicContact CG2-CE1 4.37Å; I32-F56 HydrophobicContact CG2-CE2 4.25Å; I32-F56 HydrophobicContact CG2-CG 3.83Å; I32-F56 HydrophobicContact CG2-CZ 4.46Å; I32-F58 HydrophobicContact CD1-CE2 4.03Å; I32-F58 HydrophobicContact CD1-CZ 4.4Å; I32-F58 HydrophobicContact CG1-CE2 4.16Å; I32-F58 HydrophobicContact CG1-CZ 4.03Å; I32-F58 HydrophobicContact CG2-CE2 4.42Å; I32-F58 HydrophobicContact CG2-CZ 3.97Å; I32-T81 CarbonylContact C-O 3.47Å; I32-T81 WeakPolarHBondContact CA-O 3.34Å; I32-I82 HydrophobicContact CB-CG1 4.31Å; I32-I82 HydrophobicContact CD1-CD1 4.16Å; I32-I82 HydrophobicContact CD1-CG1 4.16Å; I32-I82 HydrophobicContact CG1-CG1 4.06Å
33E97.1Very high93.7Very high37 Ų3751.9 Ų51.917%0.17326%0.255CS..EExtended strand (participates in β ladder)trans-108.1122.1176.9179.2-179.2-161.200109.4I37 I38 V80 T81 H286E33-I37 WeakPolarHBondContact CA-O 3.38Å; E33-I38 HydrophobicContact CB-CG1 4.03Å; E33-I38 HydrophobicContact CG-CG1 3.96Å; E33-V80 WeakPolarHBondContact O-CA 3.25Å; E33-T81 PolarHBondContact N-O 2.85Å; E33-T81 PolarHBondContact O-N 3.31Å; E33-H286 IonicContact OE1-CE1 3.69Å; E33-H286 PolarHBondContact OE1-CE1 3.5Å; E33-H286 VanDerWaalsContact OE1-CE1 3.24Å; E33-H286 IonicContact OE1-ND1 2.69Å; E33-H286 PolarHBondContact OE1-ND1 3.36Å; E33-H286 IonicContact OE2-CE1 2.77Å; E33-H286 PolarHBondContact OE2-CE1 3.12Å; E33-H286 IonicContact OE2-ND1 3.35Å; E33-H286 PolarHBondContact OE2-ND1 2.05Å
34V96.8Very high94.1Very high0 Ų045.2 Ų45.20%022%0.221CC..EExtended strand (participates in β ladder)trans-139.7131.6174.9-1740000108.4I32 G36 I37 F58 V80 F108I32-V34 HydrophobicContact CD1-CG2 4.23Å; I32-V34 HydrophobicContact CG1-CG2 3.92Å; V34-G36 PolarHBondContact O-N 3.42Å; V34-I37 PolarHBondContact N-O 3.36Å; V34-I37 WeakPolarHBondContact O-CB 3.31Å; V34-I37 PolarHBondContact O-N 3.37Å; V34-F58 HydrophobicContact CB-CB 4.31Å; V34-F58 HydrophobicContact CB-CD1 3.65Å; V34-F58 HydrophobicContact CB-CD2 4.1Å; V34-F58 HydrophobicContact CB-CE1 3.85Å; V34-F58 HydrophobicContact CB-CE2 4.28Å; V34-F58 HydrophobicContact CB-CG 3.76Å; V34-F58 HydrophobicContact CB-CZ 4.16Å; V34-F58 HydrophobicContact CG1-CB 4.19Å; V34-F58 HydrophobicContact CG1-CD1 4.41Å; V34-F58 HydrophobicContact CG1-CG 4.16Å; V34-F58 HydrophobicContact CG2-CD1 4.21Å; V34-F58 HydrophobicContact CG2-CD2 3.9Å; V34-F58 HydrophobicContact CG2-CE1 4.08Å; V34-F58 HydrophobicContact CG2-CE2 3.77Å; V34-F58 HydrophobicContact CG2-CG 4.11Å; V34-F58 HydrophobicContact CG2-CZ 3.86Å; V34-V80 HydrophobicContact CG1-CG2 4.18Å; V34-V80 HydrophobicContact CG2-CG1 4Å; V34-V80 HydrophobicContact CG2-CG2 4.13Å; V34-F108 HydrophobicContact CG1-CE2 3.72Å; V34-F108 HydrophobicContact CG1-CZ 4.04Å; V34-F108 HydrophobicContact CG2-CE2 4.46Å; V34-F108 HydrophobicContact CG2-CZ 4.36Å
35F95.5Very high94.5Very high19 Ų1947.4 Ų47.48%0.08323%0.233CC..THydrogen-bonded Turntrans56.827.6-178.3-48.1-47.6000114.6F6 I37 F58 K60 L75 Y78 A104F6-F35 AromaticContact CD1-CE2 3.59Å; F6-F35 HydrophobicContact CD1-CE2 3.59Å; F6-F35 AromaticContact CD1-CZ 3.42Å; F6-F35 HydrophobicContact CD1-CZ 3.42Å; F6-F35 VanDerWaalsContact CD1-CZ 3.42Å; F6-F35 AromaticContact CE1-CE2 3.77Å; F6-F35 HydrophobicContact CE1-CE2 3.77Å; F6-F35 AromaticContact CE1-CZ 3.55Å; F6-F35 HydrophobicContact CE1-CZ 3.55Å; F6-F35 HydrophobicContact CG-CZ 4.42Å; F35-I37 PolarHBondContact O-N 3.25Å; F35-F58 HydrophobicContact CD2-CB 4.23Å; F35-F58 HydrophobicContact CE2-CB 4.21Å; F35-K60 HydrophobicContact CB-CD 4.26Å; F35-K60 HydrophobicContact CD1-CB 4.21Å; F35-K60 HydrophobicContact CD1-CG 4.38Å; F35-K60 HydrophobicContact CD2-CB 3.78Å; F35-K60 HydrophobicContact CE1-CB 4.33Å; F35-K60 HydrophobicContact CE2-CB 3.91Å; F35-K60 HydrophobicContact CG-CB 3.96Å; F35-K60 HydrophobicContact CG-CD 4.35Å; F35-K60 HydrophobicContact CG-CG 4.35Å; F35-K60 HydrophobicContact CZ-CB 4.19Å; F35-L75 HydrophobicContact CE1-CD2 3.56Å; F35-L75 HydrophobicContact CZ-CD2 3.73Å; F35-Y78 AromaticContact CD1-CD1 3.68Å; F35-Y78 HydrophobicContact CD1-CD1 3.68Å; F35-Y78 HydrophobicContact CD1-CE1 4.25Å; F35-Y78 AromaticContact CD1-CG 3.81Å; F35-Y78 HydrophobicContact CD1-CG 3.81Å; F35-Y78 HydrophobicContact CE1-CD1 4.39Å; F35-Y78 HydrophobicContact CE1-CD2 4.5Å; F35-Y78 HydrophobicContact CE1-CG 4.08Å; F35-A104 HydrophobicContact CE1-CB 4.2Å
36G92.2Very high94.8Very high56 Ų5641.4 Ų41.458%0.57721%0.212SC*.THydrogen-bonded Turntrans74.87.2-174.600000114.2V34V34-G36 PolarHBondContact O-N 3.42Å
37I95.1Very high94.9Very high75 Ų7544.2 Ų44.239%0.38523%0.225SC..EExtended strand (participates in β ladder)trans-98121.4173.2-58.3173.6000107.7E33 V34 F35 K39 F58E33-I37 WeakPolarHBondContact CA-O 3.38Å; V34-I37 PolarHBondContact N-O 3.36Å; V34-I37 WeakPolarHBondContact O-CB 3.31Å; V34-I37 PolarHBondContact O-N 3.37Å; F35-I37 PolarHBondContact O-N 3.25Å; I37-K39 HydrophobicContact CG2-CG 4.4Å; I37-F58 HydrophobicContact CB-CD1 4.35Å; I37-F58 HydrophobicContact CB-CE1 4.37Å; I37-F58 HydrophobicContact CG2-CD1 4.45Å; I37-F58 HydrophobicContact CG2-CE1 4.27Å
38I94.8Very high95Very high60 Ų6043 Ų4331%0.30822%0.218SC..EExtended strand (participates in β ladder)trans-98.5134175.4-52.2113.7000109.4T31 I32 E33 H286T31-I38 HydrophobicContact CG2-CG2 4.45Å; I32-I38 WeakPolarHBondContact O-CA 3.45Å; E33-I38 HydrophobicContact CB-CG1 4.03Å; E33-I38 HydrophobicContact CG-CG1 3.96Å; I38-H286 WeakPolarHBondContact CD1-CD2 3.04Å; I38-H286 VanDerWaalsContact CD1-CE1 3.47Å; I38-H286 WeakPolarHBondContact CD1-CE1 3.27Å; I38-H286 WeakPolarHBondContact CD1-NE2 3.31Å; I38-H286 VanDerWaalsContact CG1-CE1 3.46Å; I38-H286 WeakPolarHBondContact CG1-CE1 3.17Å; I38-H286 WeakPolarHBondContact CG1-NE2 3.39Å
39K95.9Very high95Very high75 Ų7546.1 Ų46.133%0.32624%0.238SC..EExtended strand (participates in β ladder)trans-126.4151.4168.5-59.4-173.2176.6-170.80108.7T31 I32 I37 F56 S57 F58T31-K39 CarbonylContact C-O 3.59Å; T31-K39 WeakPolarHBondContact CA-O 3.36Å; I32-K39 HydrophobicContact CG2-CB 4.16Å; I32-K39 PolarHBondContact N-O 3.39Å; I32-K39 PolarHBondContact O-N 2.79Å; I37-K39 HydrophobicContact CG2-CG 4.4Å; K39-F56 HydrophobicContact CB-CD1 3.5Å; K39-F56 VanDerWaalsContact CB-CD1 3.5Å; K39-F56 HydrophobicContact CB-CE1 3.84Å; K39-F56 HydrophobicContact CB-CG 4.47Å; K39-F56 HydrophobicContact CD-CB 4.31Å; K39-F56 HydrophobicContact CD-CD1 3.88Å; K39-F56 HydrophobicContact CG-CD1 4.32Å; K39-S57 PolarHBondContact NZ-O 3.16Å; K39-F58 HydrophobicContact CB-CZ 4.34Å; K39-F58 HydrophobicContact CD-CE1 3.87Å; K39-F58 HydrophobicContact CD-CZ 3.89Å; K39-F58 HydrophobicContact CG-CE1 3.96Å; K39-F58 HydrophobicContact CG-CZ 4.07Å
40R94.3Very high95.1Very high68 Ų6846.2 Ų46.226%0.25724%0.238SC..EExtended strand (participates in β ladder)trans-125.4154.3177.765.5171.3170-143.5-25.3111.8Y29 L30 T31 F56 R275Y29-R40 HydrophobicContact CD2-CB 4.15Å; L30-R40 CarbonylContact O-C 3.57Å; L30-R40 WeakPolarHBondContact O-CA 3.15Å; L30-R40 WeakPolarHBondContact O-CB 3.25Å; T31-R40 HydrophobicContact CG2-CB 4.25Å; R40-F56 WeakPolarHBondContact O-CE1 3.4Å; R40-R275 VanDerWaalsContact CZ-CG 3.47Å; R40-R275 PolarHBondContact NH1-O 2.64Å
41T96.1Very high95.1Very high4 Ų451.2 Ų51.23%0.02526%0.264CS..PPolyproline II helixtrans-72.9171.3170.263.50000111.4L30 I52 E54 F56L30-T41 HydrophobicContact CB-CG2 3.82Å; L30-T41 PolarHBondContact N-OG1 3.09Å; L30-T41 PolarHBondContact O-N 3.16Å; T41-I52 HydrophobicContact CG2-CG2 3.58Å; T41-E54 VanDerWaalsContact CA-OE2 3.24Å; T41-E54 WeakPolarHBondContact CA-OE2 3.42Å; T41-F56 HydrophobicContact CG2-CE2 4.12Å; T41-F56 HydrophobicContact CG2-CZ 3.75Å
42R94.1Very high95.1Very high156 Ų15651.1 Ų51.159%0.58926%0.263SS*.PPolyproline II helixtrans-60.2162.4158.5-67.6172.7-72175.6-0.9110.8E54R42-E54 VanDerWaalsContact CB-OE1 3.31Å; R42-E54 WeakPolarHBondContact CB-OE1 3.45Å; R42-E54 WeakPolarHBondContact CG-OE1 3.42Å; R42-E54 IonicContact CZ-OE1 3.24Å; R42-E54 PolarHBondContact N-OE1 3.1Å; R42-E54 PolarHBondContact N-OE2 2.82Å; R42-E54 IonicContact NE-OE1 3.11Å; R42-E54 PolarHBondContact NE-OE1 2.86Å; R42-E54 IonicContact NH2-OE1 2.73Å; R42-E54 PolarHBondContact NH2-OE1 2.87Å
43L93.9Very high95.1Very high50 Ų5056.8 Ų56.826%0.26229%0.29SS..PPolyproline II helixtrans-70.6137.1172.6-59.3-176.4000109.8N27 L28 Y29 I87N27-L43 HydrophobicContact CB-CB 4.19Å; L28-L43 WeakPolarHBondContact O-CA 3.27Å; Y29-L43 HydrophobicContact CD1-CD2 4.15Å; Y29-L43 HydrophobicContact CG-CD2 4.31Å; L43-I87 HydrophobicContact CD1-CD1 3.55Å; L43-I87 HydrophobicContact CD2-CD1 3.47Å; L43-I87 VanDerWaalsContact CD2-CD1 3.47Å; L43-I87 HydrophobicContact CD2-CG1 4.21Å; L43-I87 HydrophobicContact CG-CD1 4.07Å
44L94.8Very high95.1Very high30 Ų3056.3 Ų56.316%0.15729%0.288CS..BIsolated β-bridgetrans-127.4144.2-176.3-62.3164.4000109.2N27 L28 L50 I52N27-L44 CarbonylContact C-O 3.53Å; N27-L44 VanDerWaalsContact CA-O 3.27Å; N27-L44 WeakPolarHBondContact CA-O 3.42Å; L28-L44 PolarHBondContact N-O 3.23Å; L28-L44 PolarHBondContact O-N 3.22Å; L44-L50 HydrophobicContact CD1-CB 4.39Å; L44-I52 HydrophobicContact CD1-CD1 4.39Å; L44-I52 HydrophobicContact CD1-CG1 3.65Å
45N93.8Very high95.1Very high110 Ų11062.5 Ų62.559%0.58832%0.315SS*.  trans-62.3144.1172.9-63.9-19.6000109.8N27 I47 L50N27-N45 PolarHBondContact OD1-OD1 3.35Å; N45-I47 HydrophobicContact CB-CD1 4.26Å; N45-I47 HydrophobicContact CB-CG1 4.31Å; N45-I47 PolarHBondContact O-N 3.32Å; N45-L50 VanDerWaalsContact O-CD2 3.24Å; N45-L50 WeakPolarHBondContact O-CD2 3.24Å
46A93.2Very high95.2Very high7 Ų762.3 Ų62.36%0.05831%0.314CS..SBendtrans-7256.9177.300000113.2L22 D26 L28L22-A46 HydrophobicContact CD1-CB 4.05Å; D26-A46 WeakPolarHBondContact O-CB 3.25Å; L28-A46 HydrophobicContact CD1-CB 4.15Å; L28-A46 HydrophobicContact CD2-CB 4.37Å; L28-A46 HydrophobicContact CG-CB 3.95Å
47I93.4Very high95.5Very high116 Ų11662.3 Ų62.360%0.59531%0.305SS*.  trans-131.7114.9-177.2-56.3175.2000108.1N45 P49 L50N45-I47 HydrophobicContact CB-CD1 4.26Å; N45-I47 HydrophobicContact CB-CG1 4.31Å; N45-I47 PolarHBondContact O-N 3.32Å; I47-P49 CarbonylContact O-C 3.49Å; I47-L50 WeakPolarHBondContact O-CD2 3.5Å
48F94.4Very high95.6Very high33 Ų3359 Ų5915%0.14529%0.288CS..SBendtrans-84.9143.2178.8-70.2-89.1000111.4V15 T20 L22 L28 L50 F132V15-F48 HydrophobicContact CB-CE1 4.4Å; V15-F48 HydrophobicContact CG1-CD1 4.32Å; V15-F48 HydrophobicContact CG1-CE1 3.81Å; T20-F48 HydrophobicContact CG2-CD2 4.23Å; T20-F48 HydrophobicContact CG2-CE2 4.06Å; L22-F48 HydrophobicContact CG-CE2 4.49Å; L28-F48 HydrophobicContact CD1-CE2 4.24Å; L28-F48 HydrophobicContact CD1-CZ 4.04Å; F48-L50 HydrophobicContact CD1-CD1 4.32Å; F48-L50 HydrophobicContact CD1-CG 3.86Å; F48-L50 HydrophobicContact CE1-CD1 3.64Å; F48-L50 HydrophobicContact CE1-CG 3.69Å; F48-L50 HydrophobicContact CZ-CD1 3.95Å; F48-L50 HydrophobicContact CZ-CG 4.22Å; F48-F132 HydrophobicContact CE1-CE2 4.48Å; F48-F132 HydrophobicContact CE1-CZ 4.42Å; F48-F132 HydrophobicContact CE2-CE2 4.27Å; F48-F132 HydrophobicContact CE2-CZ 4.27Å; F48-F132 AromaticContact CZ-CE2 3.72Å; F48-F132 HydrophobicContact CZ-CE2 3.72Å; F48-F132 AromaticContact CZ-CZ 3.9Å; F48-F132 HydrophobicContact CZ-CZ 3.9Å
49P95.5Very high95.7Very high64 Ų6459 Ų5942%0.41629%0.288SS..SBendcis-73.8140.8031.2-34.8000112.8V15 Y16 I47 L51V15-P49 CarbonylContact O-C 3.49Å; V15-P49 VanDerWaalsContact O-CA 3.27Å; V15-P49 WeakPolarHBondContact O-CA 3.18Å; Y16-P49 HydrophobicContact CD1-CB 3.6Å; Y16-P49 HydrophobicContact CD1-CG 4.34Å; Y16-P49 HydrophobicContact CE1-CB 3.82Å; Y16-P49 HydrophobicContact CE1-CG 4.28Å; Y16-P49 HydrophobicContact CG-CB 4.4Å; I47-P49 CarbonylContact O-C 3.49Å; P49-L51 HydrophobicContact CG-CD2 4.38Å; P49-L51 PolarHBondContact O-N 3.26Å
50L96.4Very high95.8Very high3 Ų358.6 Ų58.62%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-77.1108.2172.9-55.5175.4000108.1C14 V15 L28 L30 L44 N45 I47 F48 I52C14-L50 CarbonylContact C-O 3.53Å; C14-L50 WeakPolarHBondContact CA-O 3.32Å; C14-L50 WeakPolarHBondContact CB-O 3.41Å; V15-L50 HydrophobicContact CB-CB 4.16Å; V15-L50 HydrophobicContact CB-CD1 4.22Å; V15-L50 HydrophobicContact CB-CG 4.44Å; V15-L50 PolarHBondContact N-O 2.74Å; V15-L50 PolarHBondContact O-N 3.45Å; L28-L50 HydrophobicContact CB-CD1 4.45Å; L28-L50 HydrophobicContact CD1-CD1 3.77Å; L28-L50 HydrophobicContact CD1-CD2 4Å; L28-L50 HydrophobicContact CD1-CG 4.48Å; L30-L50 HydrophobicContact CD1-CD1 4.44Å; L44-L50 HydrophobicContact CD1-CB 4.39Å; N45-L50 VanDerWaalsContact O-CD2 3.24Å; N45-L50 WeakPolarHBondContact O-CD2 3.24Å; I47-L50 WeakPolarHBondContact O-CD2 3.5Å; F48-L50 HydrophobicContact CD1-CD1 4.32Å; F48-L50 HydrophobicContact CD1-CG 3.86Å; F48-L50 HydrophobicContact CE1-CD1 3.64Å; F48-L50 HydrophobicContact CE1-CG 3.69Å; F48-L50 HydrophobicContact CZ-CD1 3.95Å; F48-L50 HydrophobicContact CZ-CG 4.22Å; L50-I52 HydrophobicContact CB-CG1 4.41Å
51L96.6Very high95.8Very high105 Ų10557.3 Ų57.355%0.5529%0.286SS..EExtended strand (participates in β ladder)trans-86.4111.9175.8-57.7-179.5000109.2C14 P49C14-L51 HydrophobicContact CB-CD2 4.08Å; P49-L51 HydrophobicContact CG-CD2 4.38Å; P49-L51 PolarHBondContact O-N 3.26Å
52I96.7Very high95.7Very high4 Ų457.5 Ų57.52%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-105.9-61.1-168.1-58.8170.9000109.7I12 N13 V15 L30 T41 L44 L50 E54I12-I52 HydrophobicContact CB-CG2 4.21Å; I12-I52 HydrophobicContact CG2-CB 4.04Å; I12-I52 HydrophobicContact CG2-CD1 3.47Å; I12-I52 VanDerWaalsContact CG2-CD1 3.47Å; I12-I52 HydrophobicContact CG2-CG1 4.32Å; I12-I52 HydrophobicContact CG2-CG2 3.96Å; N13-I52 PolarHBondContact O-N 3.37Å; V15-I52 HydrophobicContact CG2-CD1 3.89Å; L30-I52 HydrophobicContact CD1-CD1 3.57Å; L30-I52 HydrophobicContact CD2-CD1 3.68Å; L30-I52 HydrophobicContact CG-CD1 4.23Å; T41-I52 HydrophobicContact CG2-CG2 3.58Å; L44-I52 HydrophobicContact CD1-CD1 4.39Å; L44-I52 HydrophobicContact CD1-CG1 3.65Å; L50-I52 HydrophobicContact CB-CG1 4.41Å; I52-E54 VanDerWaalsContact C-N 3.32Å; I52-E54 HydrophobicContact CG2-CB 3.93Å; I52-E54 HydrophobicContact CG2-CG 4Å; I52-E54 PolarHBondContact O-N 2.86Å
53H96.1Very high95.6Very high121 Ų12157.9 Ų57.956%0.5629%0.29SS*.EExtended strand (participates in β ladder)trans48.649-178.2-55.1-61.5000113.5I12 N13I12-H53 VanDerWaalsContact O-CA 3.25Å; I12-H53 WeakPolarHBondContact O-CA 3.34Å; I12-H53 PolarHBondContact O-N 3.11Å; N13-H53 PolarHBondContact O-N 3.02Å
54E97.8Very high95.4Very high27 Ų2760.2 Ų60.213%0.12631%0.306CS..EExtended strand (participates in β ladder)trans-117.5138.8179.8-67.9-171.9-156.900112.3N11 I12 T41 R42 I52 F56N11-E54 WeakPolarHBondContact CA-O 3.48Å; N11-E54 PolarHBondContact OD1-O 3.44Å; I12-E54 PolarHBondContact N-O 3.28Å; I12-E54 PolarHBondContact O-N 2.98Å; I12-E54 VanDerWaalsContact O-N 3.12Å; T41-E54 VanDerWaalsContact CA-OE2 3.24Å; T41-E54 WeakPolarHBondContact CA-OE2 3.42Å; R42-E54 VanDerWaalsContact CB-OE1 3.31Å; R42-E54 WeakPolarHBondContact CB-OE1 3.45Å; R42-E54 WeakPolarHBondContact CG-OE1 3.42Å; R42-E54 IonicContact CZ-OE1 3.24Å; R42-E54 PolarHBondContact N-OE1 3.1Å; R42-E54 PolarHBondContact N-OE2 2.82Å; R42-E54 IonicContact NE-OE1 3.11Å; R42-E54 PolarHBondContact NE-OE1 2.86Å; R42-E54 IonicContact NH2-OE1 2.73Å; R42-E54 PolarHBondContact NH2-OE1 2.87Å; I52-E54 VanDerWaalsContact C-N 3.32Å; I52-E54 HydrophobicContact CG2-CB 3.93Å; I52-E54 HydrophobicContact CG2-CG 4Å; I52-E54 PolarHBondContact O-N 2.86Å; E54-F56 HydrophobicContact CB-CE2 3.96Å; E54-F56 HydrophobicContact CB-CZ 4.05Å
55K97.3Very high95.3Very high130 Ų13059 Ų5957%0.56530%0.3SS*.EExtended strand (participates in β ladder)trans-103.8132.1-179.8-173.6-175.6178.3-175.10111.3D9 V10D9-K55 WeakPolarHBondContact OD1-CE 3.18Å; D9-K55 IonicContact OD1-NZ 3.44Å; D9-K55 WeakPolarHBondContact OD2-CE 3.2Å; D9-K55 IonicContact OD2-NZ 2.76Å; D9-K55 PolarHBondContact OD2-NZ 3.18Å; V10-K55 CarbonylContact O-C 3.55Å; V10-K55 WeakPolarHBondContact O-CA 3.45Å
56F98Very high95.1Very high14 Ų1460.3 Ų60.36%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-122124.9176.3-57.6-80.5000110.4D9 V10 I12 I32 K39 R40 T41 E54 F58D9-F56 CarbonylContact C-O 3.48Å; D9-F56 WeakPolarHBondContact CA-O 3.28Å; V10-F56 PolarHBondContact N-O 2.91Å; V10-F56 PolarHBondContact O-N 3.4Å; I12-F56 HydrophobicContact CD1-CD2 4.17Å; I12-F56 HydrophobicContact CD1-CE2 3.84Å; I12-F56 HydrophobicContact CG1-CD2 4.33Å; I12-F56 HydrophobicContact CG1-CE2 4.21Å; I32-F56 HydrophobicContact CG2-CB 4.35Å; I32-F56 HydrophobicContact CG2-CD1 4.07Å; I32-F56 HydrophobicContact CG2-CD2 3.93Å; I32-F56 HydrophobicContact CG2-CE1 4.37Å; I32-F56 HydrophobicContact CG2-CE2 4.25Å; I32-F56 HydrophobicContact CG2-CG 3.83Å; I32-F56 HydrophobicContact CG2-CZ 4.46Å; K39-F56 HydrophobicContact CB-CD1 3.5Å; K39-F56 VanDerWaalsContact CB-CD1 3.5Å; K39-F56 HydrophobicContact CB-CE1 3.84Å; K39-F56 HydrophobicContact CB-CG 4.47Å; K39-F56 HydrophobicContact CD-CB 4.31Å; K39-F56 HydrophobicContact CD-CD1 3.88Å; K39-F56 HydrophobicContact CG-CD1 4.32Å; R40-F56 WeakPolarHBondContact O-CE1 3.4Å; T41-F56 HydrophobicContact CG2-CE2 4.12Å; T41-F56 HydrophobicContact CG2-CZ 3.75Å; E54-F56 HydrophobicContact CB-CE2 3.96Å; E54-F56 HydrophobicContact CB-CZ 4.05Å; F56-F58 HydrophobicContact CB-CD2 4.4Å; F56-F58 HydrophobicContact CB-CE2 3.56Å; F56-F58 HydrophobicContact CB-CZ 4.05Å
57S97.7Very high95Very high57 Ų5761.8 Ų61.840%0.39932%0.316SS..EExtended strand (participates in β ladder)trans-104.2134.3176.6-59.60000111.1D9 K39D9-S57 WeakPolarHBondContact OD1-CA 3.26Å; D9-S57 WeakPolarHBondContact OD1-CB 3.36Å; D9-S57 PolarHBondContact OD1-OG 3.49Å; K39-S57 PolarHBondContact NZ-O 3.16Å
58F97.9Very high95Very high4 Ų456.7 Ų56.72%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-132146.6179-61.3-85000110G8 V10 I32 V34 F35 I37 K39 F56G8-F58 PolarHBondContact N-O 2.85Å; G8-F58 PolarHBondContact O-N 2.83Å; V10-F58 HydrophobicContact CG2-CD2 4.29Å; V10-F58 HydrophobicContact CG2-CE2 4.28Å; I32-F58 HydrophobicContact CD1-CE2 4.03Å; I32-F58 HydrophobicContact CD1-CZ 4.4Å; I32-F58 HydrophobicContact CG1-CE2 4.16Å; I32-F58 HydrophobicContact CG1-CZ 4.03Å; I32-F58 HydrophobicContact CG2-CE2 4.42Å; I32-F58 HydrophobicContact CG2-CZ 3.97Å; V34-F58 HydrophobicContact CB-CB 4.31Å; V34-F58 HydrophobicContact CB-CD1 3.65Å; V34-F58 HydrophobicContact CB-CD2 4.1Å; V34-F58 HydrophobicContact CB-CE1 3.85Å; V34-F58 HydrophobicContact CB-CE2 4.28Å; V34-F58 HydrophobicContact CB-CG 3.76Å; V34-F58 HydrophobicContact CB-CZ 4.16Å; V34-F58 HydrophobicContact CG1-CB 4.19Å; V34-F58 HydrophobicContact CG1-CD1 4.41Å; V34-F58 HydrophobicContact CG1-CG 4.16Å; V34-F58 HydrophobicContact CG2-CD1 4.21Å; V34-F58 HydrophobicContact CG2-CD2 3.9Å; V34-F58 HydrophobicContact CG2-CE1 4.08Å; V34-F58 HydrophobicContact CG2-CE2 3.77Å; V34-F58 HydrophobicContact CG2-CG 4.11Å; V34-F58 HydrophobicContact CG2-CZ 3.86Å; F35-F58 HydrophobicContact CD2-CB 4.23Å; F35-F58 HydrophobicContact CE2-CB 4.21Å; I37-F58 HydrophobicContact CB-CD1 4.35Å; I37-F58 HydrophobicContact CB-CE1 4.37Å; I37-F58 HydrophobicContact CG2-CD1 4.45Å; I37-F58 HydrophobicContact CG2-CE1 4.27Å; K39-F58 HydrophobicContact CB-CZ 4.34Å; K39-F58 HydrophobicContact CD-CE1 3.87Å; K39-F58 HydrophobicContact CD-CZ 3.89Å; K39-F58 HydrophobicContact CG-CE1 3.96Å; K39-F58 HydrophobicContact CG-CZ 4.07Å; F56-F58 HydrophobicContact CB-CD2 4.4Å; F56-F58 HydrophobicContact CB-CE2 3.56Å; F56-F58 HydrophobicContact CB-CZ 4.05Å
59D96.6Very high95Very high60 Ų6058 Ų5832%0.32130%0.304SS..EExtended strand (participates in β ladder)trans-145.1152176.570.2-65.1000111.7R5 F6 E7R5-D59 IonicContact CZ-OD2 3.32Å; R5-D59 IonicContact NE-OD2 3.78Å; R5-D59 PolarHBondContact NE-OD2 3.28Å; R5-D59 IonicContact NH2-OD1 3.61Å; R5-D59 IonicContact NH2-OD2 3.52Å; R5-D59 PolarHBondContact NH2-OD2 2.99Å; F6-D59 CarbonylContact O-C 3.48Å; F6-D59 WeakPolarHBondContact O-CA 3.4Å; F6-D59 WeakPolarHBondContact O-CB 3.25Å; E7-D59 HydrophobicContact CG-CB 4.33Å
60K96.6Very high94.9Very high68 Ų6856.9 Ų56.930%0.29630%0.295SS..EExtended strand (participates in β ladder)trans-144.7128177.8-172.368.8170.7-168.70110.4R5 F6 F35 F62R5-K60 WeakPolarHBondContact CA-O 3.42Å; F6-K60 PolarHBondContact N-O 3.36Å; F6-K60 PolarHBondContact O-N 3.27Å; F35-K60 HydrophobicContact CB-CD 4.26Å; F35-K60 HydrophobicContact CD1-CB 4.21Å; F35-K60 HydrophobicContact CD1-CG 4.38Å; F35-K60 HydrophobicContact CD2-CB 3.78Å; F35-K60 HydrophobicContact CE1-CB 4.33Å; F35-K60 HydrophobicContact CE2-CB 3.91Å; F35-K60 HydrophobicContact CG-CB 3.96Å; F35-K60 HydrophobicContact CG-CD 4.35Å; F35-K60 HydrophobicContact CG-CG 4.35Å; F35-K60 HydrophobicContact CZ-CB 4.19Å; K60-F62 HydrophobicContact CB-CE2 3.87Å; K60-F62 HydrophobicContact CB-CZ 4.28Å; K60-F62 HydrophobicContact CG-CD2 4.38Å; K60-F62 HydrophobicContact CG-CE2 3.8Å; K60-F62 HydrophobicContact CG-CZ 3.88Å; K60-F62 WeakPolarHBondContact O-CD2 3.33Å
61T95.6Very high94.9Very high41 Ų4156.8 Ų56.825%0.25229%0.294SS..EExtended strand (participates in β ladder)trans-91.6130.1174.2-56.50000110.6V3 Y63V3-T61 HydrophobicContact CG1-CG2 3.33Å; T61-Y63 HydrophobicContact CG2-CD1 4.06Å; T61-Y63 HydrophobicContact CG2-CD2 4.22Å; T61-Y63 HydrophobicContact CG2-CE1 3.68Å; T61-Y63 HydrophobicContact CG2-CE2 3.85Å; T61-Y63 HydrophobicContact CG2-CG 4.32Å
62F94Very high94.9Very high7 Ų752.7 Ų52.73%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-11186.9179.3-64.8-96.4000110Y4 F6 K60 T64 A65 V71 R74 L75 Y78Y4-F62 PolarHBondContact O-N 3.42Å; F6-F62 HydrophobicContact CB-CD2 4.48Å; F6-F62 HydrophobicContact CB-CE2 3.79Å; K60-F62 HydrophobicContact CB-CE2 3.87Å; K60-F62 HydrophobicContact CB-CZ 4.28Å; K60-F62 HydrophobicContact CG-CD2 4.38Å; K60-F62 HydrophobicContact CG-CE2 3.8Å; K60-F62 HydrophobicContact CG-CZ 3.88Å; K60-F62 WeakPolarHBondContact O-CD2 3.33Å; F62-T64 PolarHBondContact O-N 3.5Å; F62-A65 HydrophobicContact CB-CB 3.64Å; F62-A65 PolarHBondContact O-N 2.95Å; F62-V71 HydrophobicContact CB-CG2 4.22Å; F62-V71 HydrophobicContact CD2-CG1 3.77Å; F62-V71 HydrophobicContact CD2-CG2 4.2Å; F62-V71 HydrophobicContact CE2-CG1 3.66Å; F62-V71 HydrophobicContact CG-CG1 4.34Å; F62-V71 HydrophobicContact CG-CG2 4.2Å; F62-V71 HydrophobicContact CZ-CG1 4.13Å; F62-R74 HydrophobicContact CD1-CB 4.28Å; F62-R74 HydrophobicContact CE1-CB 3.86Å; F62-L75 HydrophobicContact CZ-CD2 3.93Å; F62-L75 HydrophobicContact CZ-CG 4.3Å; F62-Y78 AromaticContact CE1-CE2 3.79Å; F62-Y78 HydrophobicContact CE1-CE2 3.79Å; F62-Y78 HydrophobicContact CZ-CE2 4.13Å
63Y91.6Very high94.9Very high165 Ų16556.6 Ų56.665%0.64729%0.294SS*.THydrogen-bonded Turntrans-64.2-25.1-177.7-61.9-78.4000114.2V3 T61V3-Y63 HydrophobicContact CG1-CD1 4.19Å; V3-Y63 HydrophobicContact CG1-CE1 4.35Å; V3-Y63 HydrophobicContact CG2-CD1 4.46Å; T61-Y63 HydrophobicContact CG2-CD1 4.06Å; T61-Y63 HydrophobicContact CG2-CD2 4.22Å; T61-Y63 HydrophobicContact CG2-CE1 3.68Å; T61-Y63 HydrophobicContact CG2-CE2 3.85Å; T61-Y63 HydrophobicContact CG2-CG 4.32Å
64T90.3Very high94.9Very high99 Ų9953.8 Ų53.861%0.60728%0.279SS*.THydrogen-bonded Turntrans-105.48-177.257.40000113F62 R74F62-T64 PolarHBondContact O-N 3.5Å; T64-R74 PolarHBondContact O-NH1 2.92Å; T64-R74 PolarHBondContact O-NH2 2.79Å; T64-R74 PolarHBondContact OG1-NH1 2.89Å; T64-R74 PolarHBondContact OG1-NH2 2.86Å
65A91.5Very high94.8Very high4 Ų452.5 Ų52.53%0.03327%0.273CS..  trans-78.2133.3-179.600000110.4Y4 F62 N70 V71 R74Y4-A65 HydrophobicContact CD2-CB 3.9Å; Y4-A65 WeakPolarHBondContact CD2-O 3.39Å; Y4-A65 WeakPolarHBondContact CE2-O 3.42Å; Y4-A65 HydrophobicContact CG-CB 4.42Å; F62-A65 HydrophobicContact CB-CB 3.64Å; F62-A65 PolarHBondContact O-N 2.95Å; A65-N70 WeakPolarHBondContact CA-OD1 3.49Å; A65-V71 HydrophobicContact CB-CG2 3.62Å; A65-R74 VanDerWaalsContact N-NH1 3.12Å
66L89.9Confident94.8Very high138 Ų13851.2 Ų51.272%0.72327%0.269SS*.SBendtrans-89.6-21.4-178-58.3179.2000112.9
67S91.6Very high94.7Very high38 Ų3856.9 Ų56.927%0.26630%0.3SS..SBendtrans-159.3166.6-178.167.60000110.5C69 N70 V71S67-C69 VanDerWaalsContact C-N 3.28Å; S67-C69 PolarHBondContact O-N 3.42Å; S67-N70 WeakPolarHBondContact O-CB 3.42Å; S67-N70 PolarHBondContact O-N 2.79Å; S67-N70 VanDerWaalsContact O-N 3.15Å; S67-N70 PolarHBondContact OG-N 3.19Å; S67-N70 VanDerWaalsContact OG-N 3.17Å; S67-V71 PolarHBondContact O-N 3.25Å; S67-V71 VanDerWaalsContact O-N 3.14Å
68A92.5Very high94.6Very high8 Ų857.3 Ų57.37%0.06629%0.293CS..Hα-helixtrans-62.5-34.517200000112.4Y4 N70 V71 V72 S112 M114 I147Y4-A68 HydrophobicContact CE1-CB 4.35Å; A68-N70 VanDerWaalsContact C-N 3.31Å; A68-N70 PolarHBondContact O-N 3.27Å; A68-V71 WeakPolarHBondContact O-CB 2.93Å; A68-V71 PolarHBondContact O-N 3.32Å; A68-V71 VanDerWaalsContact O-N 3.16Å; A68-V72 WeakPolarHBondContact O-CG2 3.47Å; A68-V72 PolarHBondContact O-N 3.18Å; A68-S112 VanDerWaalsContact CB-O 3.31Å; A68-S112 WeakPolarHBondContact CB-O 3.49Å; A68-M114 HydrophobicContact CB-CG 3.42Å; A68-M114 VanDerWaalsContact CB-CG 3.42Å; A68-M114 HydrophobicContact CB-SD 4.05Å; A68-I147 HydrophobicContact CB-CD1 4.37Å; A68-I147 HydrophobicContact CB-CG2 3.94Å
69C94.7Very high94.6Very high62 Ų6260.5 Ų60.542%0.41931%0.313SS..Hα-helixtrans-58.9-43.8171.7-59.10000111.4S67 V71 V72 D73S67-C69 VanDerWaalsContact C-N 3.28Å; S67-C69 PolarHBondContact O-N 3.42Å; C69-V71 VanDerWaalsContact C-N 3.27Å; C69-V71 PolarHBondContact O-N 2.77Å; C69-V72 WeakPolarHBondContact O-CA 3.21Å; C69-V72 WeakPolarHBondContact O-CB 3.34Å; C69-V72 PolarHBondContact O-N 3.2Å; C69-D73 PolarHBondContact O-N 3.35Å
70N94.6Very high94.6Very high40 Ų4057.7 Ų57.721%0.21430%0.298CS..Hα-helixtrans-64.6-31.1177.3-173.7-117.2000112.8A65 S67 A68 R74A65-N70 WeakPolarHBondContact CA-OD1 3.49Å; S67-N70 WeakPolarHBondContact O-CB 3.42Å; S67-N70 PolarHBondContact O-N 2.79Å; S67-N70 VanDerWaalsContact O-N 3.15Å; S67-N70 PolarHBondContact OG-N 3.19Å; S67-N70 VanDerWaalsContact OG-N 3.17Å; A68-N70 VanDerWaalsContact C-N 3.31Å; A68-N70 PolarHBondContact O-N 3.27Å; N70-R74 WeakPolarHBondContact O-CB 3.46Å; N70-R74 WeakPolarHBondContact O-CG 3.33Å; N70-R74 PolarHBondContact O-N 2.93Å; N70-R74 VanDerWaalsContact OD1-CZ 3.25Å; N70-R74 PolarHBondContact OD1-NE 3.01Å; N70-R74 PolarHBondContact OD1-NH2 3.29Å
71V95.8Very high94.7Very high0 Ų055 Ų550%029%0.287CS..Hα-helixtrans-64.1-45169.6176.10000110.7Y4 F6 F62 A65 S67 A68 C69 D73 R74 L75 I147Y4-V71 HydrophobicContact CG-CG2 4.01Å; F6-V71 HydrophobicContact CB-CG1 4.32Å; F62-V71 HydrophobicContact CB-CG2 4.22Å; F62-V71 HydrophobicContact CD2-CG1 3.77Å; F62-V71 HydrophobicContact CD2-CG2 4.2Å; F62-V71 HydrophobicContact CE2-CG1 3.66Å; F62-V71 HydrophobicContact CG-CG1 4.34Å; F62-V71 HydrophobicContact CG-CG2 4.2Å; F62-V71 HydrophobicContact CZ-CG1 4.13Å; A65-V71 HydrophobicContact CB-CG2 3.62Å; S67-V71 PolarHBondContact O-N 3.25Å; S67-V71 VanDerWaalsContact O-N 3.14Å; A68-V71 WeakPolarHBondContact O-CB 2.93Å; A68-V71 PolarHBondContact O-N 3.32Å; A68-V71 VanDerWaalsContact O-N 3.16Å; C69-V71 VanDerWaalsContact C-N 3.27Å; C69-V71 PolarHBondContact O-N 2.77Å; V71-D73 VanDerWaalsContact C-N 3.32Å; V71-D73 PolarHBondContact O-N 2.75Å; V71-R74 PolarHBondContact O-N 2.89Å; V71-L75 HydrophobicContact CG1-CD1 4.28Å; V71-L75 WeakPolarHBondContact O-CG 3.24Å; V71-L75 PolarHBondContact O-N 3.32Å; V71-I147 HydrophobicContact CB-CD1 4.15Å; V71-I147 HydrophobicContact CB-CG2 4.48Å; V71-I147 HydrophobicContact CG1-CD1 3.99Å; V71-I147 HydrophobicContact CG1-CG1 4.2Å; V71-I147 HydrophobicContact CG1-CG2 4.46Å; V71-I147 HydrophobicContact CG2-CG2 4.43Å
72V96.3Very high94.8Very high19 Ų1953.1 Ų53.112%0.11528%0.275CS..Hα-helixtrans-58.2-44.8177.1176.90000111.3A68 C69 L75 K105 P110 I147A68-V72 WeakPolarHBondContact O-CG2 3.47Å; A68-V72 PolarHBondContact O-N 3.18Å; C69-V72 WeakPolarHBondContact O-CA 3.21Å; C69-V72 WeakPolarHBondContact O-CB 3.34Å; C69-V72 PolarHBondContact O-N 3.2Å; V72-L75 WeakPolarHBondContact O-CB 3.11Å; V72-L75 PolarHBondContact O-N 2.71Å; V72-K105 HydrophobicContact CG1-CD 4.3Å; V72-K105 HydrophobicContact CG1-CG 4.2Å; V72-P110 HydrophobicContact CB-CG 4.32Å; V72-P110 HydrophobicContact CG1-CG 4.05Å; V72-P110 HydrophobicContact CG2-CB 4.17Å; V72-P110 HydrophobicContact CG2-CG 3.78Å; V72-I147 HydrophobicContact CG2-CD1 3.69Å
73D96Very high94.9Very high86 Ų8653 Ų5346%0.4628%0.275SS..Hα-helixtrans-63.9-44178.7-61.2-32000111.4C69 V71 L75 E76 K105C69-D73 PolarHBondContact O-N 3.35Å; V71-D73 VanDerWaalsContact C-N 3.32Å; V71-D73 PolarHBondContact O-N 2.75Å; D73-L75 PolarHBondContact O-N 2.88Å; D73-E76 WeakPolarHBondContact O-CB 3.4Å; D73-E76 PolarHBondContact O-N 2.85Å; D73-E76 VanDerWaalsContact O-N 3.11Å; D73-K105 IonicContact OD1-NZ 3.01Å
74R96.1Very high95.1Very high62 Ų6245.1 Ų45.123%0.23424%0.244CC..Hα-helixtrans-66.8-21.7177.9-74.1-177.9-178.8168.45.2114.4F62 T64 A65 N70 V71 E76 D77 Y78F62-R74 HydrophobicContact CD1-CB 4.28Å; F62-R74 HydrophobicContact CE1-CB 3.86Å; T64-R74 PolarHBondContact O-NH1 2.92Å; T64-R74 PolarHBondContact O-NH2 2.79Å; T64-R74 PolarHBondContact OG1-NH1 2.89Å; T64-R74 PolarHBondContact OG1-NH2 2.86Å; A65-R74 VanDerWaalsContact N-NH1 3.12Å; N70-R74 WeakPolarHBondContact O-CB 3.46Å; N70-R74 WeakPolarHBondContact O-CG 3.33Å; N70-R74 PolarHBondContact O-N 2.93Å; N70-R74 VanDerWaalsContact OD1-CZ 3.25Å; N70-R74 PolarHBondContact OD1-NE 3.01Å; N70-R74 PolarHBondContact OD1-NH2 3.29Å; V71-R74 PolarHBondContact O-N 2.89Å; R74-E76 PolarHBondContact O-N 2.86Å; R74-D77 PolarHBondContact O-N 3.44Å; R74-Y78 WeakPolarHBondContact O-CD2 3.43Å; R74-Y78 WeakPolarHBondContact O-CE2 3.32Å
75L97.2Very high95.3Very high0 Ų040.8 Ų40.80%022%0.217CC..G310 helixtrans-68.1-16.1175.1-74.6167.5000112.4F6 F35 F62 V71 V72 D73 D77 Y78 A104 K105 P110F6-L75 HydrophobicContact CD1-CD2 4.44Å; F6-L75 HydrophobicContact CD2-CD1 3.64Å; F6-L75 HydrophobicContact CD2-CD2 4.49Å; F6-L75 HydrophobicContact CE2-CD1 3.8Å; F6-L75 HydrophobicContact CG-CD1 4.24Å; F6-L75 HydrophobicContact CG-CD2 4.32Å; F35-L75 HydrophobicContact CE1-CD2 3.56Å; F35-L75 HydrophobicContact CZ-CD2 3.73Å; F62-L75 HydrophobicContact CZ-CD2 3.93Å; F62-L75 HydrophobicContact CZ-CG 4.3Å; V71-L75 HydrophobicContact CG1-CD1 4.28Å; V71-L75 WeakPolarHBondContact O-CG 3.24Å; V71-L75 PolarHBondContact O-N 3.32Å; V72-L75 WeakPolarHBondContact O-CB 3.11Å; V72-L75 PolarHBondContact O-N 2.71Å; D73-L75 PolarHBondContact O-N 2.88Å; L75-D77 VanDerWaalsContact C-N 3.26Å; L75-D77 PolarHBondContact O-N 2.85Å; L75-Y78 PolarHBondContact O-N 2.98Å; L75-A104 HydrophobicContact CB-CB 4.33Å; L75-A104 HydrophobicContact CD2-CB 4.09Å; L75-A104 WeakPolarHBondContact O-CB 3.44Å; L75-A104 PolarHBondContact O-N 3.5Å; L75-K105 HydrophobicContact CB-CB 4.03Å; L75-K105 PolarHBondContact O-N 2.94Å; L75-P110 HydrophobicContact CD1-CB 4.36Å; L75-P110 HydrophobicContact CD1-CG 3.72Å
76E96.2Very high95.4Very high103 Ų10341.1 Ų41.148%0.48122%0.218SC..G310 helixtrans-66.1-30.4173.1-160.4162.4162.800112.1D73 R74 Y78 N103 K105D73-E76 WeakPolarHBondContact O-CB 3.4Å; D73-E76 PolarHBondContact O-N 2.85Å; D73-E76 VanDerWaalsContact O-N 3.11Å; R74-E76 PolarHBondContact O-N 2.86Å; E76-Y78 VanDerWaalsContact C-N 3.28Å; E76-Y78 PolarHBondContact O-N 2.77Å; E76-N103 WeakPolarHBondContact O-CB 3.46Å; E76-K105 HydrophobicContact CB-CB 4.49Å; E76-K105 HydrophobicContact CB-CD 4.05Å; E76-K105 HydrophobicContact CG-CD 4.39Å; E76-K105 IonicContact OE2-NZ 3.03Å; E76-K105 PolarHBondContact OE2-NZ 3.2Å
77D95.6Very high95.3Very high133 Ų13335.3 Ų35.371%0.71119%0.187SC*.G310 helixtrans-78-9.3179.4-59.1-40.9000113.6R74 L75R74-D77 PolarHBondContact O-N 3.44Å; L75-D77 VanDerWaalsContact C-N 3.26Å; L75-D77 PolarHBondContact O-N 2.85Å
78Y97Very high94.6Very high67 Ų6734.2 Ų34.226%0.26318%0.18SC..SBendtrans-103.1127.9-179.5-67.1-89.3000110.9F35 F62 R74 L75 E76 N103 A104F35-Y78 AromaticContact CD1-CD1 3.68Å; F35-Y78 HydrophobicContact CD1-CD1 3.68Å; F35-Y78 HydrophobicContact CD1-CE1 4.25Å; F35-Y78 AromaticContact CD1-CG 3.81Å; F35-Y78 HydrophobicContact CD1-CG 3.81Å; F35-Y78 HydrophobicContact CE1-CD1 4.39Å; F35-Y78 HydrophobicContact CE1-CD2 4.5Å; F35-Y78 HydrophobicContact CE1-CG 4.08Å; F62-Y78 AromaticContact CE1-CE2 3.79Å; F62-Y78 HydrophobicContact CE1-CE2 3.79Å; F62-Y78 HydrophobicContact CZ-CE2 4.13Å; R74-Y78 WeakPolarHBondContact O-CD2 3.43Å; R74-Y78 WeakPolarHBondContact O-CE2 3.32Å; L75-Y78 PolarHBondContact O-N 2.98Å; E76-Y78 VanDerWaalsContact C-N 3.28Å; E76-Y78 PolarHBondContact O-N 2.77Å; Y78-N103 CarbonylContact O-C 3.56Å; Y78-N103 WeakPolarHBondContact O-CA 3.38Å; Y78-A104 PolarHBondContact O-N 2.97Å
79T96.7Very high93.3Very high71 Ų7140 Ų4044%0.43621%0.21SC..EExtended strand (participates in β ladder)trans-84.8141.7174.8-48.60000111.3S101 T102T79-S101 VanDerWaalsContact CG2-OG 3.25Å; T79-S101 WeakPolarHBondContact CG2-OG 3.47Å; T79-T102 CarbonylContact C-O 3.57Å; T79-T102 WeakPolarHBondContact CA-O 3.22Å
80V97.6Very high91.6Very high0 Ų042.5 Ų42.50%022%0.223CC..EExtended strand (participates in β ladder)trans-111121.7165.8175.40000107.8E33 V34 S101 T102 A104 F107 F108E33-V80 WeakPolarHBondContact O-CA 3.25Å; V34-V80 HydrophobicContact CG1-CG2 4.18Å; V34-V80 HydrophobicContact CG2-CG1 4Å; V34-V80 HydrophobicContact CG2-CG2 4.13Å; V80-S101 WeakPolarHBondContact O-CA 3.4Å; V80-T102 HydrophobicContact CB-CG2 4.35Å; V80-T102 PolarHBondContact N-O 2.85Å; V80-T102 PolarHBondContact O-N 3.37Å; V80-T102 VanDerWaalsContact O-N 3.09Å; V80-A104 HydrophobicContact CG2-CB 3.87Å; V80-F107 HydrophobicContact CB-CB 4.29Å; V80-F107 HydrophobicContact CB-CG 4.18Å; V80-F107 HydrophobicContact CG1-CD1 3.96Å; V80-F107 HydrophobicContact CG1-CD2 3.96Å; V80-F107 HydrophobicContact CG1-CE1 4.13Å; V80-F107 HydrophobicContact CG1-CE2 4.12Å; V80-F107 HydrophobicContact CG1-CG 3.87Å; V80-F107 HydrophobicContact CG1-CZ 4.2Å; V80-F107 HydrophobicContact CG2-CB 4.05Å; V80-F107 HydrophobicContact CG2-CD1 4.21Å; V80-F107 HydrophobicContact CG2-CG 4.16Å; V80-F108 HydrophobicContact CG2-CE2 4.07Å
81T97.3Very high89.9Confident13 Ų1347.5 Ų47.58%0.0824%0.24CC..EExtended strand (participates in β ladder)trans-118.9134.2178.7-49.80000109.6I32 E33 E83 Y100I32-T81 CarbonylContact C-O 3.47Å; I32-T81 WeakPolarHBondContact CA-O 3.34Å; E33-T81 PolarHBondContact N-O 2.85Å; E33-T81 PolarHBondContact O-N 3.31Å; T81-E83 HydrophobicContact CG2-CG 4.14Å; T81-Y100 CarbonylContact C-O 3.53Å; T81-Y100 WeakPolarHBondContact CA-O 3.37Å
82I97.7Very high88.2Confident0 Ų053 Ų530%027%0.269CS..EExtended strand (participates in β ladder)trans-124.8129.7172.3-56.7176.7000108.4L30 T31 I32 Y99 Y100 F107 M126 L139L30-I82 HydrophobicContact CD2-CG2 4.25Å; T31-I82 CarbonylContact O-C 3.59Å; T31-I82 VanDerWaalsContact O-CA 3.27Å; T31-I82 WeakPolarHBondContact O-CA 3.34Å; I32-I82 HydrophobicContact CB-CG1 4.31Å; I32-I82 HydrophobicContact CD1-CD1 4.16Å; I32-I82 HydrophobicContact CD1-CG1 4.16Å; I32-I82 HydrophobicContact CG1-CG1 4.06Å; I82-Y99 CarbonylContact O-C 3.54Å; I82-Y99 WeakPolarHBondContact O-CA 3.05Å; I82-Y100 PolarHBondContact N-O 2.71Å; I82-Y100 PolarHBondContact O-N 3.48Å; I82-F107 HydrophobicContact CD1-CE2 3.92Å; I82-F107 HydrophobicContact CD1-CZ 4Å; I82-M126 HydrophobicContact CG2-CE 4.3Å; I82-M126 WeakPolarHBondContact O-CE 3.48Å; I82-L139 HydrophobicContact CB-CD2 4.47Å; I82-L139 HydrophobicContact CD1-CD2 3.63Å; I82-L139 HydrophobicContact CG2-CD2 3.97Å
83E96.9Very high86.7Confident5 Ų552.1 Ų52.12%0.02326%0.264CS..EExtended strand (participates in β ladder)trans-127.4147.5-178.6-65.8162.2-141.800111.5L30 T31 T81 R85 L96 A98 R289L30-E83 CarbonylContact C-O 3.58Å; L30-E83 WeakPolarHBondContact CA-O 3.34Å; L30-E83 WeakPolarHBondContact CB-O 3.42Å; T31-E83 PolarHBondContact N-O 2.92Å; T31-E83 PolarHBondContact O-N 3.43Å; T31-E83 WeakPolarHBondContact OG1-CB 3.42Å; T81-E83 HydrophobicContact CG2-CG 4.14Å; E83-R85 HydrophobicContact CB-CG 4.19Å; E83-R85 IonicContact OE2-CZ 3.9Å; E83-R85 IonicContact OE2-NH1 2.85Å; E83-R85 PolarHBondContact OE2-NH1 3.09Å; E83-L96 HydrophobicContact CB-CD1 3.65Å; E83-L96 HydrophobicContact CG-CD1 3.67Å; E83-A98 CarbonylContact C-O 3.55Å; E83-A98 WeakPolarHBondContact CA-O 3.44Å; E83-R289 IonicContact OE1-CZ 2.65Å; E83-R289 IonicContact OE1-NH1 3.11Å; E83-R289 PolarHBondContact OE1-NH1 3.19Å; E83-R289 IonicContact OE1-NH2 2.77Å; E83-R289 PolarHBondContact OE1-NH2 3.42Å; E83-R289 IonicContact OE2-CZ 3.54Å; E83-R289 IonicContact OE2-NH1 3.77Å; E83-R289 IonicContact OE2-NH2 2.98Å; E83-R289 PolarHBondContact OE2-NH2 3.12Å
84I96.3Very high86.1Confident0 Ų048.2 Ų48.20%024%0.244CC..EExtended strand (participates in β ladder)trans-104122.3164.5-60.9167000106.9V15 L28 L30 L97 A98 M126 P137V15-I84 HydrophobicContact CG1-CD1 3.72Å; V15-I84 HydrophobicContact CG2-CD1 4.24Å; L28-I84 HydrophobicContact CD1-CG2 4.48Å; L30-I84 HydrophobicContact CD1-CG1 4.24Å; L30-I84 HydrophobicContact CD2-CG1 4.36Å; L30-I84 HydrophobicContact CG-CG1 3.95Å; I84-L97 HydrophobicContact CG2-CB 4.49Å; I84-L97 HydrophobicContact CG2-CD1 4.31Å; I84-L97 PolarHBondContact O-N 2.88Å; I84-A98 HydrophobicContact CD1-CB 4.33Å; I84-A98 PolarHBondContact N-O 3.49Å; I84-A98 PolarHBondContact O-N 3.23Å; I84-M126 HydrophobicContact CD1-CE 4.13Å; I84-M126 HydrophobicContact CD1-SD 3.5Å; I84-M126 VanDerWaalsContact CD1-SD 3.5Å; I84-M126 HydrophobicContact CG1-CE 3.96Å; I84-M126 HydrophobicContact CG1-SD 3.94Å; I84-P137 HydrophobicContact CD1-CB 3.98Å; I84-P137 HydrophobicContact CD1-CG 3.87Å
85R94.5Very high85.9Confident7 Ų746.9 Ų46.93%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-123.2141.4179.1-56.1-175.776.2113-1.5110L28 Y29 E83 G93 G94 T95 L96L28-R85 CarbonylContact C-O 3.58Å; L28-R85 WeakPolarHBondContact CA-O 3.31Å; Y29-R85 HydrophobicContact CD1-CB 4.34Å; Y29-R85 HydrophobicContact CE1-CB 3.74Å; Y29-R85 HydrophobicContact CE2-CB 4.09Å; Y29-R85 PolarHBondContact N-O 3.44Å; Y29-R85 PolarHBondContact O-N 3.41Å; E83-R85 HydrophobicContact CB-CG 4.19Å; E83-R85 IonicContact OE2-CZ 3.9Å; E83-R85 IonicContact OE2-NH1 2.85Å; E83-R85 PolarHBondContact OE2-NH1 3.09Å; R85-G93 PolarHBondContact NE-O 2.86Å; R85-G93 PolarHBondContact NH2-O 3.11Å; R85-G94 PolarHBondContact NH2-O 2.77Å; R85-T95 CarbonylContact C-O 3.59Å; R85-T95 VanDerWaalsContact CA-O 3.25Å; R85-T95 WeakPolarHBondContact CA-O 3.37Å; R85-L96 HydrophobicContact CG-CD1 4.26Å
86Q93.2Very high85.7Confident12 Ų1248.8 Ų48.86%0.05625%0.253CS..EExtended strand (participates in β ladder)trans-98.4131.8171.1-175.9158.543.200109.2N24 D26 L28 A88 G94 T95 L97N24-Q86 VanDerWaalsContact C-NE2 3.33Å; N24-Q86 PolarHBondContact O-NE2 3.42Å; D26-Q86 HydrophobicContact CB-CG 3.91Å; D26-Q86 PolarHBondContact O-NE2 3.41Å; L28-Q86 HydrophobicContact CD2-CB 3.5Å; L28-Q86 HydrophobicContact CD2-CG 3.7Å; Q86-A88 PolarHBondContact O-N 2.85Å; Q86-G94 CarbonylContact O-C 3.47Å; Q86-G94 VanDerWaalsContact O-C 3.31Å; Q86-G94 WeakPolarHBondContact O-CA 3.45Å; Q86-T95 PolarHBondContact N-O 2.92Å; Q86-T95 PolarHBondContact O-N 2.9Å; Q86-L97 HydrophobicContact CB-CD1 3.93Å; Q86-L97 HydrophobicContact CB-CD2 4.23Å; Q86-L97 HydrophobicContact CB-CG 4.11Å
87I88.6Confident85.6Confident15 Ų1544 Ų448%0.07723%0.23CC..EExtended strand (participates in β ladder)trans-58.3132.6170.7-59.9176.1000107.7D26 N27 Y29 L43 I274D26-I87 WeakPolarHBondContact CB-O 3.14Å; N27-I87 HydrophobicContact CB-CD1 3.88Å; N27-I87 WeakPolarHBondContact O-CG1 3.24Å; N27-I87 PolarHBondContact O-N 2.99Å; Y29-I87 HydrophobicContact CD1-CG1 4.08Å; Y29-I87 HydrophobicContact CE1-CG1 4.13Å; L43-I87 HydrophobicContact CD1-CD1 3.55Å; L43-I87 HydrophobicContact CD2-CD1 3.47Å; L43-I87 VanDerWaalsContact CD2-CD1 3.47Å; L43-I87 HydrophobicContact CD2-CG1 4.21Å; L43-I87 HydrophobicContact CG-CD1 4.07Å; I87-I274 HydrophobicContact CD1-CG2 4.42Å
88A76.3Confident85.7Confident15 Ų1537.6 Ų37.612%0.12420%0.197CC..EExtended strand (participates in β ladder)trans-134.9130172.500000107Q86 V90 Y91Q86-A88 PolarHBondContact O-N 2.85Å; A88-V90 PolarHBondContact O-N 3.34Å; A88-Y91 HydrophobicContact CB-CD2 4.24Å; A88-Y91 PolarHBondContact O-N 2.83Å
89D65Low85.7Confident129 Ų12938.8 Ų38.869%0.6920%0.201SC*.THydrogen-bonded Turntrans-63.3-24.8176.7-70.3-26.2000111.7
90V59.2Low85.7Confident116 Ų11637.8 Ų37.870%0.70319%0.19SC*.THydrogen-bonded Turntrans-76.5-31.2-177.9-175.40000112.7A88A88-V90 PolarHBondContact O-N 3.34Å
91Y58.2Low85.7Confident145 Ų14540.9 Ų40.957%0.56921%0.211SC*.EExtended strand (participates in β ladder)trans-120.9114.1-174.6-60.6-72.7000109A88 G93 G94A88-Y91 HydrophobicContact CB-CD2 4.24Å; A88-Y91 PolarHBondContact O-N 2.83Å; Y91-G93 PolarHBondContact O-N 2.66Å; Y91-G94 PolarHBondContact O-N 3.26Å
92L61Low85.7Confident114 Ų11441.1 Ų41.160%0.59721%0.213SC*.EExtended strand (participates in β ladder)trans-54.4-17.7-174.4-77.6101.3000114.5A277 Q278 S281L92-A277 HydrophobicContact CB-CB 4.21Å; L92-A277 HydrophobicContact CD2-CB 3.79Å; L92-A277 HydrophobicContact CG-CB 4.26Å; L92-A277 CarbonylContact O-C 3.54Å; L92-Q278 WeakPolarHBondContact O-CA 3.48Å; L92-Q278 WeakPolarHBondContact O-CG 3.44Å; L92-Q278 PolarHBondContact O-N 3.44Å; L92-Q278 VanDerWaalsContact O-N 3.08Å; L92-S281 VanDerWaalsContact C-CB 3.49Å
93G64.9Low85.6Confident1 Ų142.5 Ų42.51%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-110.88.2176.500000115.6Y29 R85 Y91 S281Y29-G93 PolarHBondContact OH-O 3.27Å; R85-G93 PolarHBondContact NE-O 2.86Å; R85-G93 PolarHBondContact NH2-O 3.11Å; Y91-G93 PolarHBondContact O-N 2.66Å; G93-S281 VanDerWaalsContact CA-OG 3.22Å; G93-S281 WeakPolarHBondContact CA-OG 2.82Å; G93-S281 PolarHBondContact N-OG 3.33Å; G93-S281 VanDerWaalsContact N-OG 3.12Å
94G83.3Confident85.7Confident5 Ų542.2 Ų42.25%0.05222%0.219CC..EExtended strand (participates in β ladder)trans68.7163-173.800000114.7R85 Q86 Y91R85-G94 PolarHBondContact NH2-O 2.77Å; Q86-G94 CarbonylContact O-C 3.47Å; Q86-G94 VanDerWaalsContact O-C 3.31Å; Q86-G94 WeakPolarHBondContact O-CA 3.45Å; Y91-G94 PolarHBondContact O-N 3.26Å
95T90.3Very high85.7Confident34 Ų3445.1 Ų45.121%0.20923%0.231CC..EExtended strand (participates in β ladder)trans-81.5125.8-179.2-53.60000110R85 Q86 L97 D131R85-T95 CarbonylContact C-O 3.59Å; R85-T95 VanDerWaalsContact CA-O 3.25Å; R85-T95 WeakPolarHBondContact CA-O 3.37Å; Q86-T95 PolarHBondContact N-O 2.92Å; Q86-T95 PolarHBondContact O-N 2.9Å; T95-L97 HydrophobicContact CG2-CD2 4.17Å; T95-L97 PolarHBondContact O-N 3.43Å; T95-D131 HydrophobicContact CG2-CB 4.01Å
96L93.1Very high85.7Confident39 Ų3950.2 Ų50.220%0.20426%0.256CS..EExtended strand (participates in β ladder)trans-71.7119.4174.1175.563.7000109.3E83 R85 A98 Y99 T129E83-L96 HydrophobicContact CB-CD1 3.65Å; E83-L96 HydrophobicContact CG-CD1 3.67Å; R85-L96 HydrophobicContact CG-CD1 4.26Å; L96-A98 WeakPolarHBondContact CD1-O 3.49Å; L96-Y99 HydrophobicContact CD2-CD1 4.34Å; L96-T129 HydrophobicContact CD2-CG2 4.27Å; L96-T129 HydrophobicContact CG-CG2 4.03Å; L96-T129 WeakPolarHBondContact O-CG2 3.38Å; L96-T129 PolarHBondContact O-OG1 3.38Å; L96-T129 VanDerWaalsContact O-OG1 3.09Å
97L94.9Very high85.9Confident2 Ų249.7 Ų49.71%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-99.8-42-179.7-52-179000112.6L22 L28 I84 Q86 T95 T129 D131 F132L22-L97 HydrophobicContact CD1-CD1 3.63Å; L22-L97 HydrophobicContact CD2-CD1 4.21Å; L28-L97 HydrophobicContact CD2-CD1 3.77Å; I84-L97 HydrophobicContact CG2-CB 4.49Å; I84-L97 HydrophobicContact CG2-CD1 4.31Å; I84-L97 PolarHBondContact O-N 2.88Å; Q86-L97 HydrophobicContact CB-CD1 3.93Å; Q86-L97 HydrophobicContact CB-CD2 4.23Å; Q86-L97 HydrophobicContact CB-CG 4.11Å; T95-L97 HydrophobicContact CG2-CD2 4.17Å; T95-L97 PolarHBondContact O-N 3.43Å; L97-T129 WeakPolarHBondContact O-CB 3.45Å; L97-T129 WeakPolarHBondContact O-CG2 3.43Å; L97-T129 PolarHBondContact O-N 2.92Å; L97-T129 PolarHBondContact O-OG1 2.83Å; L97-D131 HydrophobicContact CD2-CB 4.04Å; L97-F132 HydrophobicContact CB-CB 4.15Å; L97-F132 HydrophobicContact CB-CD2 3.69Å; L97-F132 HydrophobicContact CB-CG 4.42Å; L97-F132 HydrophobicContact CD1-CD2 4.29Å; L97-F132 VanDerWaalsContact O-CB 3.28Å; L97-F132 WeakPolarHBondContact O-CB 3.4Å
98A97.1Very high86.3Confident0 Ų049 Ų490%025%0.25CC..EExtended strand (participates in β ladder)trans-152.7155.8177.100000110.8E83 I84 L96 M126 L127 F132 P137E83-A98 CarbonylContact C-O 3.55Å; E83-A98 WeakPolarHBondContact CA-O 3.44Å; I84-A98 HydrophobicContact CD1-CB 4.33Å; I84-A98 PolarHBondContact N-O 3.49Å; I84-A98 PolarHBondContact O-N 3.23Å; L96-A98 WeakPolarHBondContact CD1-O 3.49Å; A98-M126 HydrophobicContact CB-CB 4.17Å; A98-M126 HydrophobicContact CB-CE 4.49Å; A98-L127 CarbonylContact C-O 3.59Å; A98-L127 WeakPolarHBondContact CA-O 3.11Å; A98-L127 WeakPolarHBondContact CB-O 3.31Å; A98-F132 HydrophobicContact CB-CD2 4.48Å; A98-P137 HydrophobicContact CB-CG 3.48Å; A98-P137 VanDerWaalsContact CB-CG 3.48Å
99Y97.6Very high87.1Confident91 Ų9150.1 Ų50.136%0.35726%0.255SS..EExtended strand (participates in β ladder)trans-144.4158.7179.769.1-82.2000112.6I82 L96 M126 L127I82-Y99 CarbonylContact O-C 3.54Å; I82-Y99 WeakPolarHBondContact O-CA 3.05Å; L96-Y99 HydrophobicContact CD2-CD1 4.34Å; Y99-M126 CarbonylContact O-C 3.55Å; Y99-L127 HydrophobicContact CD1-CB 4.34Å; Y99-L127 HydrophobicContact CE1-CB 3.97Å; Y99-L127 HydrophobicContact CE2-CB 4.29Å; Y99-L127 HydrophobicContact CE2-CD1 3.84Å; Y99-L127 PolarHBondContact N-O 3.03Å; Y99-L127 PolarHBondContact O-N 2.91Å
100Y97.6Very high88.5Confident51 Ų5144.8 Ų44.820%0.223%0.227CC..EExtended strand (participates in β ladder)trans-134.1140.6169171.4-99.2000108.5T81 I82 T102 F107 L124T81-Y100 CarbonylContact C-O 3.53Å; T81-Y100 WeakPolarHBondContact CA-O 3.37Å; I82-Y100 PolarHBondContact N-O 2.71Å; I82-Y100 PolarHBondContact O-N 3.48Å; Y100-T102 HydrophobicContact CD1-CG2 4.45Å; Y100-T102 HydrophobicContact CE1-CG2 3.39Å; Y100-T102 WeakPolarHBondContact OH-CB 3.27Å; Y100-T102 WeakPolarHBondContact OH-CG2 3.39Å; Y100-F107 HydrophobicContact CE1-CD2 4.23Å; Y100-F107 HydrophobicContact CE1-CE2 4.49Å; Y100-L124 HydrophobicContact CD1-CD1 4.16Å; Y100-L124 HydrophobicContact CD1-CD2 3.46Å; Y100-L124 VanDerWaalsContact CD1-CD2 3.46Å; Y100-L124 HydrophobicContact CD1-CG 4.48Å; Y100-L124 HydrophobicContact CD2-CD1 3.7Å; Y100-L124 HydrophobicContact CD2-CD2 3.95Å; Y100-L124 HydrophobicContact CD2-CG 4.3Å; Y100-L124 HydrophobicContact CE1-CD2 3.37Å; Y100-L124 HydrophobicContact CE2-CB 4.36Å; Y100-L124 HydrophobicContact CE2-CD1 4.32Å; Y100-L124 HydrophobicContact CE2-CD2 3.89Å; Y100-L124 HydrophobicContact CE2-CG 4.45Å; Y100-L124 HydrophobicContact CG-CD1 3.6Å; Y100-L124 HydrophobicContact CG-CD2 3.74Å; Y100-L124 HydrophobicContact CG-CG 4.31Å
101S96.5Very high90Very high65 Ų6540 Ų4046%0.45520%0.199SC..EExtended strand (participates in β ladder)trans-140.8135.6179.3-176.90000110.4T79 V80T79-S101 VanDerWaalsContact CG2-OG 3.25Å; T79-S101 WeakPolarHBondContact CG2-OG 3.47Å; V80-S101 WeakPolarHBondContact O-CA 3.4Å
102T96.9Very high91.4Very high17 Ų1735.7 Ų35.710%0.10419%0.19CC..EExtended strand (participates in β ladder)trans-155.3174176.9-176.60000109.9T79 V80 Y100 E106 F107T79-T102 CarbonylContact C-O 3.57Å; T79-T102 WeakPolarHBondContact CA-O 3.22Å; V80-T102 HydrophobicContact CB-CG2 4.35Å; V80-T102 PolarHBondContact N-O 2.85Å; V80-T102 PolarHBondContact O-N 3.37Å; V80-T102 VanDerWaalsContact O-N 3.09Å; Y100-T102 HydrophobicContact CD1-CG2 4.45Å; Y100-T102 HydrophobicContact CE1-CG2 3.39Å; Y100-T102 WeakPolarHBondContact OH-CB 3.27Å; Y100-T102 WeakPolarHBondContact OH-CG2 3.39Å; T102-E106 PolarHBondContact OG1-OE2 3.48Å; T102-F107 HydrophobicContact CG2-CB 3.76Å; T102-F107 HydrophobicContact CG2-CD2 3.92Å; T102-F107 HydrophobicContact CG2-CG 4.27Å
103N96.8Very high92.8Very high29 Ų2939 Ų3916%0.15520%0.199CC..EExtended strand (participates in β ladder)trans-80.7152.9171.165.863.3000111.8E76 Y78 K105 E106 F107E76-N103 WeakPolarHBondContact O-CB 3.46Å; Y78-N103 CarbonylContact O-C 3.56Å; Y78-N103 WeakPolarHBondContact O-CA 3.38Å; N103-K105 PolarHBondContact O-N 3.27Å; N103-K105 WeakPolarHBondContact OD1-CB 3.27Å; N103-K105 PolarHBondContact OD1-N 3.15Å; N103-E106 PolarHBondContact ND2-OE1 3.47Å; N103-E106 PolarHBondContact O-N 2.91Å; N103-E106 VanDerWaalsContact OD1-CB 3.3Å; N103-E106 WeakPolarHBondContact OD1-CB 3.37Å; N103-E106 WeakPolarHBondContact OD1-CG 3.25Å; N103-E106 PolarHBondContact OD1-N 3.37Å; N103-F107 WeakPolarHBondContact O-CB 3.48Å; N103-F107 PolarHBondContact O-N 3.32Å
104A97.4Very high93.8Very high0 Ų041.6 Ų41.60%021%0.212CC..Hα-helixtrans-66.6-27.6-176.700000112.3F35 L75 Y78 V80 F108F35-A104 HydrophobicContact CE1-CB 4.2Å; L75-A104 HydrophobicContact CB-CB 4.33Å; L75-A104 HydrophobicContact CD2-CB 4.09Å; L75-A104 WeakPolarHBondContact O-CB 3.44Å; L75-A104 PolarHBondContact O-N 3.5Å; Y78-A104 PolarHBondContact O-N 2.97Å; V80-A104 HydrophobicContact CG2-CB 3.87Å; A104-F108 HydrophobicContact CB-CD2 4.21Å; A104-F108 WeakPolarHBondContact O-CB 3.31Å; A104-F108 WeakPolarHBondContact O-CD2 3.45Å; A104-F108 PolarHBondContact O-N 3.45Å
105K96.6Very high94.1Very high60 Ų6044.1 Ų44.126%0.26123%0.228SC..Hα-helixtrans-63-47175177.8179.8174.9177.10111.7V72 D73 L75 E76 N103 T109 P110V72-K105 HydrophobicContact CG1-CD 4.3Å; V72-K105 HydrophobicContact CG1-CG 4.2Å; D73-K105 IonicContact OD1-NZ 3.01Å; L75-K105 HydrophobicContact CB-CB 4.03Å; L75-K105 PolarHBondContact O-N 2.94Å; E76-K105 HydrophobicContact CB-CB 4.49Å; E76-K105 HydrophobicContact CB-CD 4.05Å; E76-K105 HydrophobicContact CG-CD 4.39Å; E76-K105 IonicContact OE2-NZ 3.03Å; E76-K105 PolarHBondContact OE2-NZ 3.2Å; N103-K105 PolarHBondContact O-N 3.27Å; N103-K105 WeakPolarHBondContact OD1-CB 3.27Å; N103-K105 PolarHBondContact OD1-N 3.15Å; K105-T109 WeakPolarHBondContact O-CA 3.35Å; K105-T109 PolarHBondContact O-N 2.69Å; K105-P110 WeakPolarHBondContact O-CD 3.46Å
106E95.6Very high94.3Very high115 Ų11548.4 Ų48.454%0.53725%0.249SC..Hα-helixtrans-72.3-37.7176.7-77.2172.4-152.400112.3T102 N103 T109 R122T102-E106 PolarHBondContact OG1-OE2 3.48Å; N103-E106 PolarHBondContact ND2-OE1 3.47Å; N103-E106 PolarHBondContact O-N 2.91Å; N103-E106 VanDerWaalsContact OD1-CB 3.3Å; N103-E106 WeakPolarHBondContact OD1-CB 3.37Å; N103-E106 WeakPolarHBondContact OD1-CG 3.25Å; N103-E106 PolarHBondContact OD1-N 3.37Å; E106-T109 WeakPolarHBondContact O-CG2 3.37Å; E106-R122 PolarHBondContact O-NH1 3.46Å
107F96.6Very high94.2Very high1 Ų151.2 Ų51.20%0.00426%0.257CS..Hα-helixtrans-66-54.2180-170-99000112V10 V80 I82 Y100 T102 N103 R122 Y141 V143V10-F107 HydrophobicContact CG1-CE1 4.11Å; V10-F107 HydrophobicContact CG1-CZ 3.95Å; V10-F107 HydrophobicContact CG2-CE1 3.67Å; V10-F107 HydrophobicContact CG2-CZ 4.34Å; V80-F107 HydrophobicContact CB-CB 4.29Å; V80-F107 HydrophobicContact CB-CG 4.18Å; V80-F107 HydrophobicContact CG1-CD1 3.96Å; V80-F107 HydrophobicContact CG1-CD2 3.96Å; V80-F107 HydrophobicContact CG1-CE1 4.13Å; V80-F107 HydrophobicContact CG1-CE2 4.12Å; V80-F107 HydrophobicContact CG1-CG 3.87Å; V80-F107 HydrophobicContact CG1-CZ 4.2Å; V80-F107 HydrophobicContact CG2-CB 4.05Å; V80-F107 HydrophobicContact CG2-CD1 4.21Å; V80-F107 HydrophobicContact CG2-CG 4.16Å; I82-F107 HydrophobicContact CD1-CE2 3.92Å; I82-F107 HydrophobicContact CD1-CZ 4Å; Y100-F107 HydrophobicContact CE1-CD2 4.23Å; Y100-F107 HydrophobicContact CE1-CE2 4.49Å; T102-F107 HydrophobicContact CG2-CB 3.76Å; T102-F107 HydrophobicContact CG2-CD2 3.92Å; T102-F107 HydrophobicContact CG2-CG 4.27Å; N103-F107 WeakPolarHBondContact O-CB 3.48Å; N103-F107 PolarHBondContact O-N 3.32Å; F107-R122 PolarHBondContact O-NH1 2.95Å; F107-Y141 HydrophobicContact CD2-CE2 4.16Å; F107-Y141 HydrophobicContact CE1-CE2 4.37Å; F107-Y141 HydrophobicContact CE2-CD2 4.06Å; F107-Y141 AromaticContact CE2-CE2 3.43Å; F107-Y141 HydrophobicContact CE2-CE2 3.43Å; F107-Y141 VanDerWaalsContact CE2-CE2 3.43Å; F107-Y141 AromaticContact CE2-CZ 3.84Å; F107-Y141 AromaticContact CZ-CD2 3.82Å; F107-Y141 HydrophobicContact CZ-CD2 3.82Å; F107-Y141 AromaticContact CZ-CE2 3.56Å; F107-Y141 HydrophobicContact CZ-CE2 3.56Å; F107-V143 HydrophobicContact CD1-CG2 4.38Å; F107-V143 HydrophobicContact CE1-CG2 3.81Å; F107-V143 HydrophobicContact CZ-CG2 4.08Å
108F96.5Very high94.2Very high1 Ų155.3 Ų55.30%0.00428%0.282CS..Hα-helixtrans-85.1-27.1-177.7-69.7-82.4000113.1F6 V10 V34 V80 A104 V143 S145F6-F108 HydrophobicContact CE1-CD1 4.33Å; F6-F108 HydrophobicContact CE1-CD2 4.17Å; F6-F108 HydrophobicContact CE1-CE2 4.34Å; F6-F108 HydrophobicContact CE1-CG 4.2Å; F6-F108 HydrophobicContact CE2-CB 4.28Å; F6-F108 HydrophobicContact CZ-CB 3.73Å; F6-F108 AromaticContact CZ-CD1 3.79Å; F6-F108 HydrophobicContact CZ-CD1 3.79Å; F6-F108 AromaticContact CZ-CD2 3.85Å; F6-F108 HydrophobicContact CZ-CD2 3.85Å; F6-F108 HydrophobicContact CZ-CE1 4.41Å; F6-F108 HydrophobicContact CZ-CE2 4.43Å; F6-F108 AromaticContact CZ-CG 3.52Å; F6-F108 HydrophobicContact CZ-CG 3.52Å; V10-F108 HydrophobicContact CG2-CE1 3.64Å; V10-F108 HydrophobicContact CG2-CZ 3.78Å; V34-F108 HydrophobicContact CG1-CE2 3.72Å; V34-F108 HydrophobicContact CG1-CZ 4.04Å; V34-F108 HydrophobicContact CG2-CE2 4.46Å; V34-F108 HydrophobicContact CG2-CZ 4.36Å; V80-F108 HydrophobicContact CG2-CE2 4.07Å; A104-F108 HydrophobicContact CB-CD2 4.21Å; A104-F108 WeakPolarHBondContact O-CB 3.31Å; A104-F108 WeakPolarHBondContact O-CD2 3.45Å; A104-F108 PolarHBondContact O-N 3.45Å; F108-V143 HydrophobicContact CB-CG1 4.28Å; F108-V143 HydrophobicContact CD1-CG1 3.16Å; F108-V143 HydrophobicContact CE1-CG1 3.69Å; F108-V143 HydrophobicContact CG-CG1 4Å; F108-S145 PolarHBondContact O-OG 2.84Å
109T94.4Very high94Very high38 Ų3856.2 Ų56.223%0.23329%0.287CS..  trans40.165.4-171.442.20000112.3K105 E106 R117 I119 R122K105-T109 WeakPolarHBondContact O-CA 3.35Å; K105-T109 PolarHBondContact O-N 2.69Å; E106-T109 WeakPolarHBondContact O-CG2 3.37Å; T109-R117 WeakPolarHBondContact O-CD 3.25Å; T109-R117 PolarHBondContact O-NH1 2.69Å; T109-R117 PolarHBondContact OG1-NH1 3.24Å; T109-I119 WeakPolarHBondContact OG1-CD1 3.37Å; T109-R122 PolarHBondContact OG1-NH2 3.41Å
110P93.3Very high93.6Very high16 Ų1656.6 Ų56.610%0.10430%0.301CS..  trans-62.4155.5-177.726.9-37.5000113.6F6 V72 L75 K105 I147F6-P110 HydrophobicContact CE2-CB 4.08Å; V72-P110 HydrophobicContact CB-CG 4.32Å; V72-P110 HydrophobicContact CG1-CG 4.05Å; V72-P110 HydrophobicContact CG2-CB 4.17Å; V72-P110 HydrophobicContact CG2-CG 3.78Å; L75-P110 HydrophobicContact CD1-CB 4.36Å; L75-P110 HydrophobicContact CD1-CG 3.72Å; K105-P110 WeakPolarHBondContact O-CD 3.46Å; P110-I147 HydrophobicContact CB-CD1 4.09Å; P110-I147 HydrophobicContact CB-CG1 4.5Å
111C90.5Very high93.1Very high17 Ų1761.7 Ų61.712%0.11532%0.324CS..  trans-87.8113.4172.4-179.50000110.8K113 M114 C115 R117C111-K113 PolarHBondContact O-N 2.81Å; C111-K113 VanDerWaalsContact O-N 3.12Å; C111-M114 PolarHBondContact O-N 2.77Å; C111-M114 VanDerWaalsContact O-N 3.08Å; C111-C115 HydrophobicContact CB-CB 4.1Å; C111-C115 WeakPolarHBondContact CB-O 3.04Å; C111-C115 WeakPolarHBondContact CB-SG 3.48Å; C111-C115 WeakPolarHBondContact SG-CB 3.34Å; C111-C115 PolarHBondContact SG-N 2.96Å; C111-C115 CovalentContact SG-SG 2.05Å; C111-C115 PolarHBondContact SG-SG 2.94Å; C111-R117 HydrophobicContact CB-CB 4.25Å
112S89.4Confident92.9Very high54 Ų5461.8 Ų61.838%0.37831%0.314SS..THydrogen-bonded Turntrans-62.5-17.917658.80000113.7A68 M114A68-S112 VanDerWaalsContact CB-O 3.31Å; A68-S112 WeakPolarHBondContact CB-O 3.49Å; S112-M114 PolarHBondContact O-N 2.6Å
113K88.9Confident92.8Very high183 Ų18365 Ų6580%0.79633%0.331SS*.THydrogen-bonded Turntrans-85.218.8174.5-55.3-178.5-179.8179.10113.4C111 C115C111-K113 PolarHBondContact O-N 2.81Å; C111-K113 VanDerWaalsContact O-N 3.12Å; K113-C115 PolarHBondContact O-N 2.92Å; K113-C115 VanDerWaalsContact O-N 3.13Å
114M87.1Confident92.7Very high55 Ų5564.4 Ų64.427%0.27133%0.327SS..SBendtrans55.730.8179-62.1177.453.200114Y4 A68 C111 S112 I147 C149Y4-M114 HydrophobicContact CE1-SD 4.15Å; A68-M114 HydrophobicContact CB-CG 3.42Å; A68-M114 VanDerWaalsContact CB-CG 3.42Å; A68-M114 HydrophobicContact CB-SD 4.05Å; C111-M114 PolarHBondContact O-N 2.77Å; C111-M114 VanDerWaalsContact O-N 3.08Å; S112-M114 PolarHBondContact O-N 2.6Å; M114-I147 WeakPolarHBondContact CB-O 3.33Å; M114-I147 HydrophobicContact CG-CB 4.43Å; M114-I147 HydrophobicContact CG-CG2 4.37Å; M114-C149 HydrophobicContact CE-CB 3.44Å; M114-C149 VanDerWaalsContact CE-CB 3.44Å; M114-C149 VanDerWaalsContact CE-N 3.31Å; M114-C149 HydrophobicContact SD-CB 4.27Å
115C89.4Confident92.6Very high59 Ų5969.8 Ų69.840%0.39936%0.356SS..  trans-94.5151176.875.10000111C111 K113 R117C111-C115 HydrophobicContact CB-CB 4.1Å; C111-C115 WeakPolarHBondContact CB-O 3.04Å; C111-C115 WeakPolarHBondContact CB-SG 3.48Å; C111-C115 WeakPolarHBondContact SG-CB 3.34Å; C111-C115 PolarHBondContact SG-N 2.96Å; C111-C115 CovalentContact SG-SG 2.05Å; C111-C115 PolarHBondContact SG-SG 2.94Å; K113-C115 PolarHBondContact O-N 2.92Å; K113-C115 VanDerWaalsContact O-N 3.13Å; C115-R117 PolarHBondContact O-N 3.11Å
116L93.2Very high92.7Very high124 Ų12467 Ų6765%0.64934%0.344SS*.  trans-67.9123.9167.7177.666.1000108.2A146L116-A146 HydrophobicContact CD1-CB 4.12Å
117R92.9Very high92.8Very high98 Ų9866.4 Ų66.437%0.3734%0.344SS..EExtended strand (participates in β ladder)trans-117.5118.3175.4-172.7155.5-176.7-76.7-1.5109.6T109 C111 C115 I119 S144 S145T109-R117 WeakPolarHBondContact O-CD 3.25Å; T109-R117 PolarHBondContact O-NH1 2.69Å; T109-R117 PolarHBondContact OG1-NH1 3.24Å; C111-R117 HydrophobicContact CB-CB 4.25Å; C115-R117 PolarHBondContact O-N 3.11Å; R117-I119 VanDerWaalsContact NH1-CD1 3.29Å; R117-S144 CarbonylContact O-C 3.5Å; R117-S144 VanDerWaalsContact O-CA 3.23Å; R117-S144 WeakPolarHBondContact O-CA 3.39Å; R117-S145 PolarHBondContact N-O 3.05Å; R117-S145 PolarHBondContact O-N 3.18Å
118T93.8Very high92.7Very high87 Ų8770.9 Ų70.953%0.53436%0.363SS..EExtended strand (participates in β ladder)trans-112.2131.8176-580000109.4V143 S144T118-V143 WeakPolarHBondContact CA-O 3.45Å; T118-S144 WeakPolarHBondContact OG1-CB 3.3Å
119I92.7Very high92.6Very high20 Ų2072.3 Ų72.310%0.10337%0.372CS..EExtended strand (participates in β ladder)trans-115.9104.9178.4-51165.6000107.1T109 R117 R122 V143T109-I119 WeakPolarHBondContact OG1-CD1 3.37Å; R117-I119 VanDerWaalsContact NH1-CD1 3.29Å; I119-R122 VanDerWaalsContact CD1-CZ 3.43Å; I119-R122 HydrophobicContact CG2-CG 3.83Å; I119-V143 PolarHBondContact N-O 2.87Å; I119-V143 PolarHBondContact O-N 2.92Å
120P89.5Confident92.5Very high99 Ų9978.3 Ų78.364%0.64340%0.401SS*.EExtended strand (participates in β ladder)trans-71.2142.5177.330.3-33.1000109.8
121K86.9Confident92.4Very high158 Ų15882 Ų8269%0.68742%0.42SS*.EExtended strand (participates in β ladder)trans41.578.4164.1-60.8-173176.6-171.50115.1Y141K121-Y141 CarbonylContact C-O 3.53Å; K121-Y141 WeakPolarHBondContact CA-O 3.37Å
122R93.1Very high92.5Very high66 Ų6681.3 Ų81.325%0.24942%0.415CS..EExtended strand (participates in β ladder)trans-94.6144.4164.3-77.4-171.6163.1166-2.9110E106 F107 T109 I119 E140 Y141E106-R122 PolarHBondContact O-NH1 3.46Å; F107-R122 PolarHBondContact O-NH1 2.95Å; T109-R122 PolarHBondContact OG1-NH2 3.41Å; I119-R122 VanDerWaalsContact CD1-CZ 3.43Å; I119-R122 HydrophobicContact CG2-CG 3.83Å; R122-E140 WeakPolarHBondContact O-CA 3.17Å; R122-Y141 HydrophobicContact CB-CD1 4.09Å; R122-Y141 HydrophobicContact CB-CE1 3.56Å; R122-Y141 HydrophobicContact CB-CE2 4.2Å; R122-Y141 WeakPolarHBondContact CD-OH 3.41Å; R122-Y141 PolarHBondContact N-O 3.25Å; R122-Y141 VanDerWaalsContact O-CD1 3.31Å; R122-Y141 WeakPolarHBondContact O-CD1 3.47Å; R122-Y141 PolarHBondContact O-N 2.89Å; R122-Y141 VanDerWaalsContact O-O 3.13Å
123D93.9Very high92.7Very high85 Ų8580.9 Ų80.946%0.45541%0.411SS..EExtended strand (participates in β ladder)trans-116.3141.9168.7-72.5-4.5000109.3R138 L139 E140D123-R138 HydrophobicContact CB-CG 4.22Å; D123-R138 IonicContact OD2-NE 3.41Å; D123-L139 WeakPolarHBondContact CA-O 3.36Å; D123-E140 WeakPolarHBondContact OD1-CA 3.39Å; D123-E140 WeakPolarHBondContact OD1-CB 3.16Å; D123-E140 WeakPolarHBondContact OD1-CG 3.42Å
124L94.6Very high92.7Very high16 Ų1674.3 Ų74.38%0.08440%0.395CS..EExtended strand (participates in β ladder)trans-135.4153.4169.263.980.5000110.8Y100 M126 R138 L139 Y141Y100-L124 HydrophobicContact CD1-CD1 4.16Å; Y100-L124 HydrophobicContact CD1-CD2 3.46Å; Y100-L124 VanDerWaalsContact CD1-CD2 3.46Å; Y100-L124 HydrophobicContact CD1-CG 4.48Å; Y100-L124 HydrophobicContact CD2-CD1 3.7Å; Y100-L124 HydrophobicContact CD2-CD2 3.95Å; Y100-L124 HydrophobicContact CD2-CG 4.3Å; Y100-L124 HydrophobicContact CE1-CD2 3.37Å; Y100-L124 HydrophobicContact CE2-CB 4.36Å; Y100-L124 HydrophobicContact CE2-CD1 4.32Å; Y100-L124 HydrophobicContact CE2-CD2 3.89Å; Y100-L124 HydrophobicContact CE2-CG 4.45Å; Y100-L124 HydrophobicContact CG-CD1 3.6Å; Y100-L124 HydrophobicContact CG-CD2 3.74Å; Y100-L124 HydrophobicContact CG-CG 4.31Å; L124-M126 HydrophobicContact CD1-CG 3.75Å; L124-R138 CarbonylContact O-C 3.58Å; L124-R138 VanDerWaalsContact O-CA 3.31Å; L124-R138 WeakPolarHBondContact O-CA 3.15Å; L124-R138 WeakPolarHBondContact O-CG 3.43Å; L124-L139 HydrophobicContact CD1-CB 3.78Å; L124-L139 HydrophobicContact CD1-CD2 4.09Å; L124-L139 HydrophobicContact CD2-CD2 4.26Å; L124-L139 HydrophobicContact CG-CB 4.07Å; L124-L139 HydrophobicContact CG-CD2 4.23Å; L124-L139 PolarHBondContact N-O 2.93Å; L124-L139 PolarHBondContact O-N 3.43Å; L124-Y141 HydrophobicContact CB-CE1 4.32Å; L124-Y141 HydrophobicContact CD2-CD1 4.19Å; L124-Y141 HydrophobicContact CD2-CE1 3.43Å; L124-Y141 VanDerWaalsContact CD2-CE1 3.43Å; L124-Y141 HydrophobicContact CG-CD1 4.4Å; L124-Y141 HydrophobicContact CG-CE1 3.85Å
125L96.8Very high93Very high114 Ų11475.4 Ų75.460%0.59740%0.404SS*.EExtended strand (participates in β ladder)trans-95.1125.8173.7-166.569.2000109S136 R138L125-S136 WeakPolarHBondContact CD1-O 3.33Å; L125-R138 HydrophobicContact CD1-CB 4.48Å
126M97.7Very high93.4Very high1 Ų174.4 Ų74.41%0.00540%0.398CS..PPolyproline II helixtrans-84.4149.1177.3-57.3-175.672.800110.7I82 I84 A98 Y99 L124 K128 S136 P137 L139I82-M126 HydrophobicContact CG2-CE 4.3Å; I82-M126 WeakPolarHBondContact O-CE 3.48Å; I84-M126 HydrophobicContact CD1-CE 4.13Å; I84-M126 HydrophobicContact CD1-SD 3.5Å; I84-M126 VanDerWaalsContact CD1-SD 3.5Å; I84-M126 HydrophobicContact CG1-CE 3.96Å; I84-M126 HydrophobicContact CG1-SD 3.94Å; A98-M126 HydrophobicContact CB-CB 4.17Å; A98-M126 HydrophobicContact CB-CE 4.49Å; Y99-M126 CarbonylContact O-C 3.55Å; L124-M126 HydrophobicContact CD1-CG 3.75Å; M126-K128 PolarHBondContact O-N 2.83Å; M126-S136 WeakPolarHBondContact O-CB 3.46Å; M126-P137 HydrophobicContact CB-CG 4.06Å; M126-P137 WeakPolarHBondContact CB-O 3.35Å; M126-P137 PolarHBondContact N-O 2.93Å; M126-P137 HydrophobicContact SD-CG 4.44Å; M126-L139 HydrophobicContact CG-CB 4.31Å; M126-L139 HydrophobicContact SD-CB 4.2Å
127L96.9Very high93.6Very high103 Ų10368.5 Ų68.554%0.53937%0.367SS..EExtended strand (participates in β ladder)trans-77.2119.3168.9-65.9174.7000108.8A98 Y99A98-L127 CarbonylContact C-O 3.59Å; A98-L127 WeakPolarHBondContact CA-O 3.11Å; A98-L127 WeakPolarHBondContact CB-O 3.31Å; Y99-L127 HydrophobicContact CD1-CB 4.34Å; Y99-L127 HydrophobicContact CE1-CB 3.97Å; Y99-L127 HydrophobicContact CE2-CB 4.29Å; Y99-L127 HydrophobicContact CE2-CD1 3.84Å; Y99-L127 PolarHBondContact N-O 3.03Å; Y99-L127 PolarHBondContact O-N 2.91Å
128K95.6Very high93.8Very high94 Ų9469.2 Ų69.241%0.40937%0.37SS..EExtended strand (participates in β ladder)trans-84.2148.2177.168.8170.8-173.5159.10111.3M126 F132 G134M126-K128 PolarHBondContact O-N 2.83Å; K128-F132 HydrophobicContact CB-CB 4.07Å; K128-F132 HydrophobicContact CB-CD1 4.21Å; K128-F132 HydrophobicContact CB-CG 4.29Å; K128-F132 HydrophobicContact CD-CD1 4.34Å; K128-G134 PolarHBondContact NZ-O 3.33Å
129T94.3Very high94Very high31 Ų3165.1 Ų65.119%0.1935%0.345CS..  trans-87.2178.7170.167.70000110.5L96 L97 D131 F132L96-T129 HydrophobicContact CD2-CG2 4.27Å; L96-T129 HydrophobicContact CG-CG2 4.03Å; L96-T129 WeakPolarHBondContact O-CG2 3.38Å; L96-T129 PolarHBondContact O-OG1 3.38Å; L96-T129 VanDerWaalsContact O-OG1 3.09Å; L97-T129 WeakPolarHBondContact O-CB 3.45Å; L97-T129 WeakPolarHBondContact O-CG2 3.43Å; L97-T129 PolarHBondContact O-N 2.92Å; L97-T129 PolarHBondContact O-OG1 2.83Å; T129-D131 PolarHBondContact O-N 2.79Å; T129-D131 PolarHBondContact OG1-N 2.77Å; T129-F132 PolarHBondContact O-N 2.95Å
130I92Very high94.2Very high165 Ų16565.5 Ų65.585%0.84635%0.346SS*.THydrogen-bonded Turntrans-64.2-25.4172.5-166.8164.7000112.5F132I130-F132 VanDerWaalsContact C-N 3.28Å; I130-F132 PolarHBondContact O-N 3.32Å
131D90.8Very high94.6Very high93 Ų9361.2 Ų61.250%0.49732%0.317SS..THydrogen-bonded Turntrans-81.4-5.4-177.9-60.1-53000113.2T95 L97 T129 P133T95-D131 HydrophobicContact CG2-CB 4.01Å; L97-D131 HydrophobicContact CD2-CB 4.04Å; T129-D131 PolarHBondContact O-N 2.79Å; T129-D131 PolarHBondContact OG1-N 2.77Å; D131-P133 WeakPolarHBondContact O-CD 3.32Å
132F93.4Very high95.1Very high3 Ų355 Ų551%0.01329%0.293CS..SBendtrans-103.9105.3176.8-168.7-73.7000110.8S17 T20 L22 F48 L97 A98 K128 T129 I130 V135 P137S17-F132 WeakPolarHBondContact OG-CE1 3.17Å; S17-F132 WeakPolarHBondContact OG-CZ 3.3Å; T20-F132 HydrophobicContact CG2-CD1 4.39Å; T20-F132 HydrophobicContact CG2-CE1 3.65Å; T20-F132 HydrophobicContact CG2-CE2 4.39Å; T20-F132 HydrophobicContact CG2-CZ 3.66Å; L22-F132 HydrophobicContact CD2-CD2 4.41Å; F48-F132 HydrophobicContact CE1-CE2 4.48Å; F48-F132 HydrophobicContact CE1-CZ 4.42Å; F48-F132 HydrophobicContact CE2-CE2 4.27Å; F48-F132 HydrophobicContact CE2-CZ 4.27Å; F48-F132 AromaticContact CZ-CE2 3.72Å; F48-F132 HydrophobicContact CZ-CE2 3.72Å; F48-F132 AromaticContact CZ-CZ 3.9Å; F48-F132 HydrophobicContact CZ-CZ 3.9Å; L97-F132 HydrophobicContact CB-CB 4.15Å; L97-F132 HydrophobicContact CB-CD2 3.69Å; L97-F132 HydrophobicContact CB-CG 4.42Å; L97-F132 HydrophobicContact CD1-CD2 4.29Å; L97-F132 VanDerWaalsContact O-CB 3.28Å; L97-F132 WeakPolarHBondContact O-CB 3.4Å; A98-F132 HydrophobicContact CB-CD2 4.48Å; K128-F132 HydrophobicContact CB-CB 4.07Å; K128-F132 HydrophobicContact CB-CD1 4.21Å; K128-F132 HydrophobicContact CB-CG 4.29Å; K128-F132 HydrophobicContact CD-CD1 4.34Å; T129-F132 PolarHBondContact O-N 2.95Å; I130-F132 VanDerWaalsContact C-N 3.28Å; I130-F132 PolarHBondContact O-N 3.32Å; F132-V135 VanDerWaalsContact CE1-O 3.26Å; F132-V135 WeakPolarHBondContact CE1-O 3.43Å; F132-P137 HydrophobicContact CD2-CG 4.4Å; F132-P137 HydrophobicContact CE1-CG 4.23Å; F132-P137 HydrophobicContact CE2-CB 4.3Å; F132-P137 HydrophobicContact CE2-CG 3.86Å; F132-P137 HydrophobicContact CZ-CB 3.93Å; F132-P137 HydrophobicContact CZ-CG 3.76Å
133P92.5Very high95.3Very high45 Ų4552 Ų5229%0.29228%0.282SS..  trans-70.9158.3176.629-33.6000111.8T20 W21 L22 D131T20-P133 HydrophobicContact CG2-CG 4.36Å; T20-P133 WeakPolarHBondContact CG2-O 3.26Å; T20-P133 PolarHBondContact OG1-O 2.76Å; W21-P133 WeakPolarHBondContact O-CG 3.49Å; L22-P133 HydrophobicContact CD2-CG 4Å; D131-P133 WeakPolarHBondContact O-CD 3.32Å
134G89.8Confident95.5Very high45 Ų4549.1 Ų49.146%0.46427%0.269SS..SBendtrans80.6-151173.600000114.6K128K128-G134 PolarHBondContact NZ-O 3.33Å
135V94.1Very high95.6Very high77 Ų7748.4 Ų48.447%0.46727%0.265SS..SBendtrans-85.3148.2-175-63.30000111.6S17 P18 F132S17-V135 PolarHBondContact OG-O 3.05Å; P18-V135 HydrophobicContact CG-CG2 4.05Å; F132-V135 VanDerWaalsContact CE1-O 3.26Å; F132-V135 WeakPolarHBondContact CE1-O 3.43Å
136S96.2Very high95.6Very high38 Ų3843.7 Ų43.727%0.26624%0.243SC..PPolyproline II helixtrans-53132.2177.5-700000111.8L125 M126L125-S136 WeakPolarHBondContact CD1-O 3.33Å; M126-S136 WeakPolarHBondContact O-CB 3.46Å
137P97.3Very high95.5Very high0 Ų043.8 Ų43.80%024%0.243CC..PPolyproline II helixtrans-68.8140.5-178.720.5-22.4000111.1V15 Y16 I84 A98 M126 F132V15-P137 HydrophobicContact CG1-CB 3.62Å; Y16-P137 CarbonylContact O-C 3.57Å; Y16-P137 WeakPolarHBondContact O-CA 3.39Å; I84-P137 HydrophobicContact CD1-CB 3.98Å; I84-P137 HydrophobicContact CD1-CG 3.87Å; A98-P137 HydrophobicContact CB-CG 3.48Å; A98-P137 VanDerWaalsContact CB-CG 3.48Å; M126-P137 HydrophobicContact CB-CG 4.06Å; M126-P137 WeakPolarHBondContact CB-O 3.35Å; M126-P137 PolarHBondContact N-O 2.93Å; M126-P137 HydrophobicContact SD-CG 4.44Å; F132-P137 HydrophobicContact CD2-CG 4.4Å; F132-P137 HydrophobicContact CE1-CG 4.23Å; F132-P137 HydrophobicContact CE2-CB 4.3Å; F132-P137 HydrophobicContact CE2-CG 3.86Å; F132-P137 HydrophobicContact CZ-CB 3.93Å; F132-P137 HydrophobicContact CZ-CG 3.76Å
138R97.5Very high95.3Very high114 Ų11443.1 Ų43.143%0.4324%0.236SC..EExtended strand (participates in β ladder)trans-103.9122175.2-174.8177.766-170.70.8109.6V15 Y16 D123 L124 L125V15-R138 CarbonylContact C-O 3.55Å; V15-R138 WeakPolarHBondContact CA-O 3.36Å; Y16-R138 PolarHBondContact N-O 2.72Å; Y16-R138 PolarHBondContact O-N 3.44Å; D123-R138 HydrophobicContact CB-CG 4.22Å; D123-R138 IonicContact OD2-NE 3.41Å; L124-R138 CarbonylContact O-C 3.58Å; L124-R138 VanDerWaalsContact O-CA 3.31Å; L124-R138 WeakPolarHBondContact O-CA 3.15Å; L124-R138 WeakPolarHBondContact O-CG 3.43Å; L125-R138 HydrophobicContact CD1-CB 4.48Å
139L97.9Very high94.9Very high0 Ų040 Ų400%023%0.226CC..EExtended strand (participates in β ladder)trans-96123.3179.1176.672.7000109.7I12 V15 L30 I82 D123 L124 M126 Y141I12-L139 HydrophobicContact CG2-CD1 3.72Å; V15-L139 HydrophobicContact CG2-CD1 3.62Å; L30-L139 HydrophobicContact CD2-CD1 3.94Å; I82-L139 HydrophobicContact CB-CD2 4.47Å; I82-L139 HydrophobicContact CD1-CD2 3.63Å; I82-L139 HydrophobicContact CG2-CD2 3.97Å; D123-L139 WeakPolarHBondContact CA-O 3.36Å; L124-L139 HydrophobicContact CD1-CB 3.78Å; L124-L139 HydrophobicContact CD1-CD2 4.09Å; L124-L139 HydrophobicContact CD2-CD2 4.26Å; L124-L139 HydrophobicContact CG-CB 4.07Å; L124-L139 HydrophobicContact CG-CD2 4.23Å; L124-L139 PolarHBondContact N-O 2.93Å; L124-L139 PolarHBondContact O-N 3.43Å; M126-L139 HydrophobicContact CG-CB 4.31Å; M126-L139 HydrophobicContact SD-CB 4.2Å; L139-Y141 HydrophobicContact CD2-CD1 4.36Å; L139-Y141 HydrophobicContact CG-CD1 4.33Å
140E97.6Very high94.3Very high29 Ų2942.6 Ų42.614%0.13624%0.235CC..EExtended strand (participates in β ladder)trans-97.9126.7169.5-178.1-174.5165.800109.4N13 C14 Y16 R122 D123N13-E140 HydrophobicContact CB-CB 4.34Å; N13-E140 HydrophobicContact CB-CG 4.03Å; N13-E140 WeakPolarHBondContact CB-O 3.42Å; N13-E140 PolarHBondContact N-O 3Å; N13-E140 PolarHBondContact ND2-OE1 2.83Å; C14-E140 PolarHBondContact N-O 2.81Å; C14-E140 PolarHBondContact O-N 2.86Å; C14-E140 PolarHBondContact SG-OE2 3.31Å; Y16-E140 HydrophobicContact CE2-CB 4.25Å; Y16-E140 PolarHBondContact OH-OE2 3.13Å; R122-E140 WeakPolarHBondContact O-CA 3.17Å; D123-E140 WeakPolarHBondContact OD1-CA 3.39Å; D123-E140 WeakPolarHBondContact OD1-CB 3.16Å; D123-E140 WeakPolarHBondContact OD1-CG 3.42Å
141Y97.7Very high92.9Very high9 Ų939 Ų394%0.03522%0.222CC..EExtended strand (participates in β ladder)trans-148.8167.8-178.270.7-71.6000112V10 N11 F107 K121 R122 L124 L139 V143V10-Y141 HydrophobicContact CG1-CD2 4.46Å; N11-Y141 CarbonylContact O-C 3.44Å; N11-Y141 VanDerWaalsContact O-CA 3.23Å; N11-Y141 WeakPolarHBondContact O-CA 3.47Å; N11-Y141 WeakPolarHBondContact O-CB 3.48Å; F107-Y141 HydrophobicContact CD2-CE2 4.16Å; F107-Y141 HydrophobicContact CE1-CE2 4.37Å; F107-Y141 HydrophobicContact CE2-CD2 4.06Å; F107-Y141 AromaticContact CE2-CE2 3.43Å; F107-Y141 HydrophobicContact CE2-CE2 3.43Å; F107-Y141 VanDerWaalsContact CE2-CE2 3.43Å; F107-Y141 AromaticContact CE2-CZ 3.84Å; F107-Y141 AromaticContact CZ-CD2 3.82Å; F107-Y141 HydrophobicContact CZ-CD2 3.82Å; F107-Y141 AromaticContact CZ-CE2 3.56Å; F107-Y141 HydrophobicContact CZ-CE2 3.56Å; K121-Y141 CarbonylContact C-O 3.53Å; K121-Y141 WeakPolarHBondContact CA-O 3.37Å; R122-Y141 HydrophobicContact CB-CD1 4.09Å; R122-Y141 HydrophobicContact CB-CE1 3.56Å; R122-Y141 HydrophobicContact CB-CE2 4.2Å; R122-Y141 WeakPolarHBondContact CD-OH 3.41Å; R122-Y141 PolarHBondContact N-O 3.25Å; R122-Y141 VanDerWaalsContact O-CD1 3.31Å; R122-Y141 WeakPolarHBondContact O-CD1 3.47Å; R122-Y141 PolarHBondContact O-N 2.89Å; R122-Y141 VanDerWaalsContact O-O 3.13Å; L124-Y141 HydrophobicContact CB-CE1 4.32Å; L124-Y141 HydrophobicContact CD2-CD1 4.19Å; L124-Y141 HydrophobicContact CD2-CE1 3.43Å; L124-Y141 VanDerWaalsContact CD2-CE1 3.43Å; L124-Y141 HydrophobicContact CG-CD1 4.4Å; L124-Y141 HydrophobicContact CG-CE1 3.85Å; L139-Y141 HydrophobicContact CD2-CD1 4.36Å; L139-Y141 HydrophobicContact CG-CD1 4.33Å; Y141-V143 HydrophobicContact CD2-CG2 3.45Å; Y141-V143 VanDerWaalsContact CD2-CG2 3.45Å; Y141-V143 HydrophobicContact CE2-CG2 3.42Å; Y141-V143 VanDerWaalsContact CE2-CG2 3.42Å
142S97.3Very high91.4Very high26 Ų2636.2 Ų36.218%0.18221%0.213CC..EExtended strand (participates in β ladder)trans-136.8151171.451.30000109.5N11N11-S142 WeakPolarHBondContact CB-OG 3.47Å; N11-S142 PolarHBondContact N-O 3.27Å; N11-S142 PolarHBondContact O-N 3.08Å
143V97.5Very high89.4Confident3 Ų340.8 Ų40.82%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-135.4139-173.8-1770000109.9D9 V10 F107 F108 T118 I119 Y141D9-V143 CarbonylContact O-C 3.6Å; D9-V143 VanDerWaalsContact O-CA 3.3Å; D9-V143 WeakPolarHBondContact O-CA 2.95Å; V10-V143 HydrophobicContact CG1-CG2 4.39Å; F107-V143 HydrophobicContact CD1-CG2 4.38Å; F107-V143 HydrophobicContact CE1-CG2 3.81Å; F107-V143 HydrophobicContact CZ-CG2 4.08Å; F108-V143 HydrophobicContact CB-CG1 4.28Å; F108-V143 HydrophobicContact CD1-CG1 3.16Å; F108-V143 HydrophobicContact CE1-CG1 3.69Å; F108-V143 HydrophobicContact CG-CG1 4Å; T118-V143 WeakPolarHBondContact CA-O 3.45Å; I119-V143 PolarHBondContact N-O 2.87Å; I119-V143 PolarHBondContact O-N 2.92Å; Y141-V143 HydrophobicContact CD2-CG2 3.45Å; Y141-V143 VanDerWaalsContact CD2-CG2 3.45Å; Y141-V143 HydrophobicContact CE2-CG2 3.42Å; Y141-V143 VanDerWaalsContact CE2-CG2 3.42Å
144S97.1Very high87.4Confident26 Ų2640.8 Ų40.818%0.18225%0.246CC..EExtended strand (participates in β ladder)trans-128.7137.4166.354.40000110.7G8 D9 R117 T118G8-S144 CarbonylContact C-O 3.6Å; G8-S144 WeakPolarHBondContact CA-O 3.46Å; D9-S144 WeakPolarHBondContact CB-OG 3.22Å; D9-S144 PolarHBondContact N-O 3.04Å; D9-S144 PolarHBondContact O-N 3.29Å; R117-S144 CarbonylContact O-C 3.5Å; R117-S144 VanDerWaalsContact O-CA 3.23Å; R117-S144 WeakPolarHBondContact O-CA 3.39Å; T118-S144 WeakPolarHBondContact OG1-CB 3.3Å
145S97.3Very high85.6Confident1 Ų147.6 Ų47.61%0.00726%0.259CS..EExtended strand (participates in β ladder)trans-139.7150.418062.70000113E7 F108 R117E7-S145 CarbonylContact O-C 3.52Å; E7-S145 WeakPolarHBondContact O-CA 3.23Å; F108-S145 PolarHBondContact O-OG 2.84Å; R117-S145 PolarHBondContact N-O 3.05Å; R117-S145 PolarHBondContact O-N 3.18Å
146A96.3Very high83.8Confident14 Ų1445.5 Ų45.512%0.11625%0.247CC..EExtended strand (participates in β ladder)trans-144.5148.3176.100000110.6E7 L116E7-A146 PolarHBondContact N-O 2.86Å; E7-A146 PolarHBondContact O-N 2.81Å; L116-A146 HydrophobicContact CD1-CB 4.12Å
147I95.7Very high81.8Confident3 Ų349.8 Ų49.82%0.01527%0.272CS..EExtended strand (participates in β ladder)trans-111.2120.2170.4-61.4167.8000107.3Y4 R5 F6 A68 V71 V72 P110 M114Y4-I147 HydrophobicContact CD1-CG2 4.09Å; R5-I147 WeakPolarHBondContact O-CA 3.23Å; F6-I147 HydrophobicContact CD2-CG1 4.11Å; A68-I147 HydrophobicContact CB-CD1 4.37Å; A68-I147 HydrophobicContact CB-CG2 3.94Å; V71-I147 HydrophobicContact CB-CD1 4.15Å; V71-I147 HydrophobicContact CB-CG2 4.48Å; V71-I147 HydrophobicContact CG1-CD1 3.99Å; V71-I147 HydrophobicContact CG1-CG1 4.2Å; V71-I147 HydrophobicContact CG1-CG2 4.46Å; V71-I147 HydrophobicContact CG2-CG2 4.43Å; V72-I147 HydrophobicContact CG2-CD1 3.69Å; P110-I147 HydrophobicContact CB-CD1 4.09Å; P110-I147 HydrophobicContact CB-CG1 4.5Å; M114-I147 WeakPolarHBondContact CB-O 3.33Å; M114-I147 HydrophobicContact CG-CB 4.43Å; M114-I147 HydrophobicContact CG-CG2 4.37Å
148K92.8Very high80.1Confident90 Ų9052.2 Ų52.239%0.39129%0.288SS..EExtended strand (participates in β ladder)trans-106.9140.6177.1-63.9-177.7-176.4164.30110Y4 R5 E7Y4-K148 CarbonylContact C-O 3.56Å; Y4-K148 WeakPolarHBondContact CA-O 3.37Å; R5-K148 PolarHBondContact N-O 3.23Å; R5-K148 PolarHBondContact O-N 2.73Å; E7-K148 WeakPolarHBondContact OE1-CD 3.42Å; E7-K148 WeakPolarHBondContact OE1-CE 3.16Å; E7-K148 IonicContact OE1-NZ 2.89Å; E7-K148 PolarHBondContact OE1-NZ 3.39Å; E7-K148 WeakPolarHBondContact OE2-CE 3.18Å; E7-K148 IonicContact OE2-NZ 2.64Å; E7-K148 PolarHBondContact OE2-NZ 2.97Å
149C88.9Confident78.1Confident28 Ų2849 Ų4919%0.18928%0.283CS..EExtended strand (participates in β ladder)trans-103.5123169.8-175.50000107.7Y4 M114 P170Y4-C149 HydrophobicContact CD1-CB 4.01Å; Y4-C149 HydrophobicContact CE1-CB 3.78Å; M114-C149 HydrophobicContact CE-CB 3.44Å; M114-C149 VanDerWaalsContact CE-CB 3.44Å; M114-C149 VanDerWaalsContact CE-N 3.31Å; M114-C149 HydrophobicContact SD-CB 4.27Å; C149-P170 HydrophobicContact CB-CB 4.5Å
150H80.5Confident76Confident85 Ų8559.2 Ų59.239%0.39432%0.323SS..EExtended strand (participates in β ladder)trans-95.8120.7167.6-62.675.7000106.4V3 A152V3-H150 PolarHBondContact N-O 2.88Å; V3-H150 PolarHBondContact O-N 2.79Å; H150-A152 PolarHBondContact O-N 3.09Å; H150-A152 VanDerWaalsContact O-N 3.08Å
151P63.6Low74Confident89 Ų8962.8 Ų62.858%0.57835%0.351SS*.PPolyproline II helixtrans-59.7121.6168.525.9-30.5000106.4S153P151-S153 PolarHBondContact O-N 2.88Å
152A59.3Low71.9Confident36 Ų3664.8 Ų64.830%0.29837%0.367SS..PPolyproline II helixtrans-55128.7155.900000105.2M1 H150 C154M1-A152 WeakPolarHBondContact O-CB 3.33Å; H150-A152 PolarHBondContact O-N 3.09Å; H150-A152 VanDerWaalsContact O-N 3.08Å; A152-C154 PolarHBondContact O-N 2.88Å
153S50.9Low69.9Low99 Ų9970.2 Ų70.269%0.69240%0.401SS*.  trans-36.6110.1174.154.10000108.1P151 Y155P151-S153 PolarHBondContact O-N 2.88Å; S153-Y155 VanDerWaalsContact O-CD1 3.27Å; S153-Y155 WeakPolarHBondContact O-CD1 3.42Å; S153-Y155 PolarHBondContact O-N 2.8Å
154C49.5Very low68Low45 Ų4578.4 Ų78.430%0.30444%0.439SS..  trans-59.6120178.1-169.30000105.7A152 C156 C159A152-C154 PolarHBondContact O-N 2.88Å; C154-C156 HydrophobicContact CB-CB 4.38Å; C154-C156 WeakPolarHBondContact CB-SG 3.5Å; C154-C156 PolarHBondContact O-N 3.36Å; C154-C156 VanDerWaalsContact O-N 3.12Å; C154-C156 WeakPolarHBondContact SG-CB 3.49Å; C154-C156 PolarHBondContact SG-N 2.91Å; C154-C156 CovalentContact SG-SG 2.05Å; C154-C156 PolarHBondContact SG-SG 3.12Å; C154-C159 HydrophobicContact CB-CB 3.86Å; C154-C159 WeakPolarHBondContact CB-SG 3.4Å
155Y52.2Low66Low188 Ų18877.9 Ų77.974%0.73744%0.435SS*.  trans-78.120.6170.315.1-91.7000110.9M1 S153M1-Y155 PolarHBondContact N-OH 2.64Å; S153-Y155 VanDerWaalsContact O-CD1 3.27Å; S153-Y155 WeakPolarHBondContact O-CD1 3.42Å; S153-Y155 PolarHBondContact O-N 2.8Å
156C57.5Low64.1Low32 Ų3283.8 Ų83.822%0.21648%0.475CS..SBendtrans-84.2140.8172.857.90000110.3C154 C158 C159C154-C156 HydrophobicContact CB-CB 4.38Å; C154-C156 WeakPolarHBondContact CB-SG 3.5Å; C154-C156 PolarHBondContact O-N 3.36Å; C154-C156 VanDerWaalsContact O-N 3.12Å; C154-C156 WeakPolarHBondContact SG-CB 3.49Å; C154-C156 PolarHBondContact SG-N 2.91Å; C154-C156 CovalentContact SG-SG 2.05Å; C154-C156 PolarHBondContact SG-SG 3.12Å; C156-C158 PolarHBondContact O-N 2.86Å; C156-C158 PolarHBondContact SG-SG 2.97Å; C156-C159 PolarHBondContact O-N 3.27Å; C156-C159 PolarHBondContact SG-SG 3.05Å
157T54.3Low62.2Low128 Ų12887 Ų8779%0.78550%0.496SS*.G310 helixtrans-57.8-24.2-179.7-30.30000112.8C159T157-C159 PolarHBondContact O-N 2.95Å
158C61.3Low60.1Low52 Ų5294.7 Ų94.735%0.35153%0.526SS..G310 helixtrans-74.8-16.6177.654.30000114.9C156 C165C156-C158 PolarHBondContact O-N 2.86Å; C156-C158 PolarHBondContact SG-SG 2.97Å; C158-C165 PolarHBondContact SG-SG 3.25Å
159C54.8Low58.3Low47 Ų4794.7 Ų94.732%0.31853%0.53SS..G310 helixtrans-85.9-10.9176.7-82.20000114.6C154 C156 T157 S161 C165C154-C159 HydrophobicContact CB-CB 3.86Å; C154-C159 WeakPolarHBondContact CB-SG 3.4Å; C156-C159 PolarHBondContact O-N 3.27Å; C156-C159 PolarHBondContact SG-SG 3.05Å; T157-C159 PolarHBondContact O-N 2.95Å; C159-S161 VanDerWaalsContact C-N 3.3Å; C159-C165 WeakPolarHBondContact SG-CB 3.32Å; C159-C165 PolarHBondContact SG-SG 3.4Å
160Y54.4Low56.6Low214 Ų21495.8 Ų95.884%0.83954%0.537SS*.SBendtrans-77.7-16.7174.6-97-86.6000113.1
161S56.2Low55.3Low104 Ų10496.4 Ų96.473%0.72755%0.549SS*.SBendtrans-117.1-9.3-164.9-33.80000114.6C159C159-S161 VanDerWaalsContact C-N 3.3Å
162S52.5Low54.4Low51 Ų5197.7 Ų97.736%0.35755%0.551SS.*  trans-160.5136.3179.3177.90000112.2Q164S162-Q164 PolarHBondContact O-N 2.93Å; S162-Q164 PolarHBondContact OG-N 3.33Å; S162-Q164 VanDerWaalsContact OG-N 3.15Å
163P55Low53.8Low140 Ų140105.6 Ų105.691%0.90957%0.574SS**SBendtrans-68.7-7.1171.726.9-31.2000113.6
164Q58.9Low53.4Low175 Ų175108.9 Ų108.982%0.81858%0.576SS**SBendtrans-110.172.8172.1-75.7174.9-21.300110S162S162-Q164 PolarHBondContact O-N 2.93Å; S162-Q164 PolarHBondContact OG-N 3.33Å; S162-Q164 VanDerWaalsContact OG-N 3.15Å
165C53.4Low53Low15 Ų15112 Ų11210%0.10160%0.596CS.*  trans-78.6136.2174.91790000110.9C158 C159 C167 Y168C158-C165 PolarHBondContact SG-SG 3.25Å; C159-C165 WeakPolarHBondContact SG-CB 3.32Å; C159-C165 PolarHBondContact SG-SG 3.4Å; C165-C167 PolarHBondContact O-N 2.89Å; C165-C167 PolarHBondContact SG-N 3.4Å; C165-C167 VanDerWaalsContact SG-N 3.38Å; C165-Y168 WeakPolarHBondContact O-CB 3.49Å; C165-Y168 PolarHBondContact O-N 3.3Å
166C57.3Low52.5Low124 Ų124110.9 Ų110.984%0.83860%0.6SS**THydrogen-bonded Turntrans-59.8-5173.437.70000115.1Y168C166-Y168 VanDerWaalsContact C-N 3.26Å
167C57.3Low51.8Low82 Ų82114.8 Ų114.855%0.55462%0.622SS**THydrogen-bonded Turntrans-83.71.8168.9-540000113.2C165 D169C165-C167 PolarHBondContact O-N 2.89Å; C165-C167 PolarHBondContact SG-N 3.4Å; C165-C167 VanDerWaalsContact SG-N 3.38Å; C167-D169 PolarHBondContact O-N 3.39Å
168Y52Low51.1Low165 Ų165114.7 Ų114.765%0.64762%0.624SS**  trans-95.986.9-175.9-162.4-94.8000111.8C165 C166 P170C165-Y168 WeakPolarHBondContact O-CB 3.49Å; C165-Y168 PolarHBondContact O-N 3.3Å; C166-Y168 VanDerWaalsContact C-N 3.26Å; Y168-P170 HydrophobicContact CE2-CG 4.32Å
169D54.2Low50.2Low90 Ų90117.1 Ų117.148%0.48164%0.637SS.*  trans-144.889146.9-161.4-24.3000109.3C167 C171 L172C167-D169 PolarHBondContact O-N 3.39Å; D169-C171 PolarHBondContact O-N 2.77Å; D169-C171 VanDerWaalsContact O-N 3.08Å; D169-C171 WeakPolarHBondContact OD1-CB 3.46Å; D169-C171 PolarHBondContact OD1-N 3.33Å; D169-L172 PolarHBondContact OD1-N 2.99Å; D169-L172 VanDerWaalsContact OD2-CD1 3.23Å; D169-L172 WeakPolarHBondContact OD2-CD1 3.38Å; D169-L172 WeakPolarHBondContact OD2-CG 3.03Å
170P54.7Low49.3Very low50 Ų50120.4 Ų120.433%0.32566%0.658SS.*THydrogen-bonded Turntrans-66.4-5.2178.4-16.530.3000113.4C149 Y168C149-P170 HydrophobicContact CB-CB 4.5Å; Y168-P170 HydrophobicContact CE2-CG 4.32Å
171C51.3Low48.6Very low98 Ų98115.4 Ų115.466%0.66265%0.654SS**THydrogen-bonded Turntrans-113-5.7-165.2-55.90000114.1D169D169-C171 PolarHBondContact O-N 2.77Å; D169-C171 VanDerWaalsContact O-N 3.08Å; D169-C171 WeakPolarHBondContact OD1-CB 3.46Å; D169-C171 PolarHBondContact OD1-N 3.33Å
172L45.8Very low47.6Very low116 Ų116121.7 Ų121.761%0.60766%0.664SS**  trans-115.866.7178.4-72.1-178.3000112.6D169 K174D169-L172 PolarHBondContact OD1-N 2.99Å; D169-L172 VanDerWaalsContact OD2-CD1 3.23Å; D169-L172 WeakPolarHBondContact OD2-CD1 3.38Å; D169-L172 WeakPolarHBondContact OD2-CG 3.03Å; L172-K174 PolarHBondContact O-N 3.48Å
173Y46.4Very low47.2Very low202 Ų202129.8 Ų129.879%0.79269%0.688SS**  trans-73.984.5158-152.9-90.6000108.4
174K42.7Very low47Very low168 Ų168133.9 Ų133.973%0.7369%0.685SS**PPolyproline II helixtrans-66125.6161.9-83.4-179.3176.8176.90106.9L172 M176L172-K174 PolarHBondContact O-N 3.48Å; K174-M176 PolarHBondContact O-N 3.29Å; K174-M176 VanDerWaalsContact O-N 3.13Å
175P40.5Very low46.4Very low110 Ų110129.5 Ų129.571%0.71468%0.679SS**PPolyproline II helixtrans-55.3124.3169.9-15.527.1000107.4T177P175-T177 PolarHBondContact O-N 3.25Å
176M41.3Very low46.9Very low166 Ų166133.4 Ų133.482%0.81870%0.703SS**PPolyproline II helixtrans-55.7118.5166.4-72.3-178.18100106.4K174K174-M176 PolarHBondContact O-N 3.29Å; K174-M176 VanDerWaalsContact O-N 3.13Å
177T42.8Very low46.5Very low113 Ų113133.4 Ų133.469%0.69370%0.699SS**PPolyproline II helixtrans-51.4138.1165.240.70000107.7P175 T179P175-T177 PolarHBondContact O-N 3.25Å; T177-T179 VanDerWaalsContact C-N 3.33Å; T177-T179 PolarHBondContact O-N 3.32Å
178P39.8Very low46.1Very low127 Ų127135 Ų13583%0.82570%0.702SS**  trans-67.296.5-179.126.6-30.7000108
179T42.3Very low46.2Very low102 Ų102129.8 Ų129.863%0.62669%0.689SS**  trans-68.3125.6164.150.60000107T177T177-T179 VanDerWaalsContact C-N 3.33Å; T177-T179 PolarHBondContact O-N 3.32Å
180P35.9Very low46Very low116 Ų116129.3 Ų129.375%0.75370%0.698SS**SBendtrans-67151.3-177.329.5-32.6000109.3
181S39.7Very low45.6Very low109 Ų109133.7 Ų133.776%0.76272%0.718SS**  trans84.972.2171.674.50000118.4Y183S181-Y183 VanDerWaalsContact C-N 3.3Å; S181-Y183 PolarHBondContact O-N 2.74Å; S181-Y183 VanDerWaalsContact O-N 3.1Å
182Y36.4Very low45.6Very low237 Ų237139.3 Ų139.393%0.92973%0.725SS**  trans-72.288.8147.2-93.4-91.3000109.1R184Y182-R184 PolarHBondContact O-N 3.32Å
183Y43Very low45.1Very low221 Ų221138.4 Ų138.487%0.86773%0.727SS**  trans-81.3104.1156-112.7-88.9000107.6S181 A185S181-Y183 VanDerWaalsContact C-N 3.3Å; S181-Y183 PolarHBondContact O-N 2.74Å; S181-Y183 VanDerWaalsContact O-N 3.1Å; Y183-A185 PolarHBondContact O-N 3.31Å
184R51Low44.8Very low225 Ų225140.5 Ų140.585%0.84973%0.734SS**  trans-60.7115.8169.5-162-176.6-171-169.83.5107.6Y182 T186Y182-R184 PolarHBondContact O-N 3.32Å; R184-T186 PolarHBondContact O-N 3.3Å; R184-T186 VanDerWaalsContact O-N 3.14Å
185A47.6Very low44.6Very low84 Ų84142.4 Ų142.469%0.69474%0.738SS**  trans-58.3118.2175.700000109.4Y183Y183-A185 PolarHBondContact O-N 3.31Å
186T63.5Low44.8Very low97 Ų97143 Ų14360%0.59574%0.742SS**  trans-84.4157173400000109.2R184 N188 S189R184-T186 PolarHBondContact O-N 3.3Å; R184-T186 VanDerWaalsContact O-N 3.14Å; T186-N188 PolarHBondContact O-N 3.01Å; T186-S189 PolarHBondContact N-OG 2.86Å; T186-S189 PolarHBondContact O-N 3.19Å; T186-S189 PolarHBondContact O-OG 2.55Å
187V47.8Very low44.5Very low123 Ų123144.6 Ų144.675%0.74575%0.747SS**Hα-helixtrans-53.1-26.5-177.3-171.40000112.6
188N49.3Very low44.4Very low117 Ų117144.9 Ų144.963%0.62675%0.754SS**Hα-helixtrans-73.2-24.7175.8-71.4-19.1000114.7T186T186-N188 PolarHBondContact O-N 3.01Å
189S54.8Low44.4Very low55 Ų55146.7 Ų146.739%0.38576%0.757SS.*Hα-helixtrans-78.1-24.5177.262.20000112.5T186 L191T186-S189 PolarHBondContact N-OG 2.86Å; T186-S189 PolarHBondContact O-N 3.19Å; T186-S189 PolarHBondContact O-OG 2.55Å; S189-L191 VanDerWaalsContact C-N 3.32Å
190A49.1Very low44.1Very low79 Ų79144.7 Ų144.765%0.65376%0.756SS**Hα-helixtrans-72-24.3174.100000113.1
191L46.4Very low44.1Very low143 Ų143143.7 Ų143.775%0.74975%0.752SS**THydrogen-bonded Turntrans-88.7-4.2-178.6-65.2175000114.2S189S189-L191 VanDerWaalsContact C-N 3.32Å
192R51.9Low44Very low216 Ų216146.7 Ų146.782%0.81575%0.751SS**  trans-103.6-1.2-176.9-73.9-174.8176.3172.7-0.5114.9R194R192-R194 PolarHBondContact O-N 2.95Å; R192-R194 VanDerWaalsContact O-N 3.12Å
193C36Very low43.8Very low97 Ų97146.2 Ų146.266%0.65575%0.749SS**  trans-77.798.4174.6-70.80000110.4
194R40Very low43.2Very low245 Ų245142.1 Ų142.193%0.92575%0.747SS**PPolyproline II helixtrans-68.4123.5162.9-70.9-169.8-178.5-169.21.1108.7R192R192-R194 PolarHBondContact O-N 2.95Å; R192-R194 VanDerWaalsContact O-N 3.12Å
195Y38.3Very low42.5Very low208 Ų208139.6 Ų139.682%0.81675%0.749SS**PPolyproline II helixtrans-74.8145.7167.5-74-89.9000109.8
196P43.8Very low41.9Very low122 Ų122139.8 Ų139.879%0.79275%0.751SS**PPolyproline II helixtrans-66.5135.6174.4-10.625.8000110.2S198P196-S198 PolarHBondContact O-N 2.79Å
197E35.3Very low40.5Very low200 Ų200140 Ų14094%0.93576%0.756SS**PPolyproline II helixtrans-60122.5177.9-66.1173.1157.900111
198S40.3Very low40Very low119 Ų119141.3 Ų141.383%0.83276%0.759SS**PPolyproline II helixtrans-94.3118.1162.362.10000109P196P196-S198 PolarHBondContact O-N 2.79Å
199D41Very low39.7Very low166 Ų166143.1 Ų143.189%0.88877%0.774SS**PPolyproline II helixtrans-60.1147.4176.2-166.19000112.8
200G35.3Very low38.8Very low60 Ų60144.7 Ų144.762%0.61979%0.791SS**  trans93.782.4146.200000120.4
201S36.8Very low38.6Very low94 Ų94148 Ų14866%0.65780%0.797SS**  80.4110.2126178.50000121.8
202K36Very low38.2Very low173 Ų173149.3 Ų149.375%0.75280%0.799SS**  trans71.8121.4144.7-60168.1-168.2176.80113.7
203Y32.5Very low37.8Very low227 Ų227147.5 Ų147.589%0.8980%0.804SS**  -156.6150.872.2-74.7-87.4000112.8
204T31.2Very low37.9Very low134 Ų134147 Ų14782%0.82281%0.807SS**  trans-70.9132.4-175.8-32.60000113.9
205I35.7Very low37.9Very low173 Ų173145 Ų14589%0.88781%0.805SS**  trans-137.3134.2150.5-61.3-175.7000109
206A35.3Very low37.9Very low88 Ų88139.6 Ų139.673%0.72780%0.798SS**  trans-69.5155.5-165.200000115.5
207S33.8Very low37.8Very low100 Ų100142 Ų14270%0.69980%0.798SS**  trans-55.4149.6170.943.80000114.5
208D36.7Very low38.1Very low152 Ų152138 Ų13881%0.81379%0.792SS**  -173.4115.8122.8-90.7-17.4000110.6
209T43.7Very low38.2Very low154 Ų154136.2 Ų136.295%0.94579%0.785SS**  trans-158.592.5153.211.80000107.8
210A36.7Very low38.4Very low89 Ų89133 Ų13374%0.73678%0.775SS**  trans-93.4129.6164.600000108.2
211N43.5Very low38.7Very low147 Ų147140.9 Ų140.979%0.78679%0.786SS**  trans-159.1118.2151.6-95-31.6000112.3
212H37.8Very low39.1Very low171 Ų171142.5 Ų142.579%0.79279%0.793SS**  trans63.2103.3145.3-71.2-75.2000121.1
213I44.2Very low39.4Very low179 Ų179138.7 Ų138.792%0.91879%0.788SS**  trans-135.6137.4134.4-61.4-175.1000109.2
214A37.6Very low40Very low87 Ų87139 Ų13972%0.71979%0.787SS**  trans-85.1173.7-167.400000115.7
215K39.6Very low40.7Very low202 Ų202138.3 Ų138.388%0.87879%0.788SS**  trans94.7130.1173.7-64173.9173.2176.50113
216S38.8Very low41.2Very low95 Ų95135.6 Ų135.666%0.66478%0.782SS**  cis179.8166.98.239.10000107.9
217Q43Very low41.6Very low172 Ų172141 Ų14180%0.80479%0.789SS**  trans88.8105.6162.6-48.6-175.39.700115.2
218S40.5Very low42.1Very low115 Ų115146.6 Ų146.680%0.80479%0.794SS**  87135.4104.861.70000111.2
219A43.2Very low42.3Very low83 Ų83145.9 Ų145.969%0.68680%0.796SS**  cis-160160.73.500000108.2
220S44.8Very low42.2Very low98 Ų98142 Ų14269%0.68579%0.786SS**  trans66.8114143.244.50000122.4
221R41.7Very low42.5Very low225 Ų225144.6 Ų144.685%0.84979%0.788SS**  97.7118.9116.9-78.7180173-164-2.2119.6
222T45.8Very low42.6Very low129 Ų129144 Ų14479%0.79179%0.789SS**  trans72147140.462.20000117.5
223S41.4Very low42.8Very low92 Ų92143 Ų14364%0.64379%0.79SS**  cis176.6154-24.252.60000104.9
224R44Very low42.5Very low233 Ų233138.1 Ų138.188%0.87978%0.784SS**  trans89.6100.4159.5-58.2176.9176.5-167.8-2.1119.2
225S46.5Very low42.9Very low121 Ų121139.5 Ų139.585%0.84679%0.785SS**  40.1152.1118.8-560000124.3
226P47Very low43Very low116 Ų116141.5 Ų141.575%0.75379%0.789SS**  trans-114.1167.9-159.141-28000115
227K44.1Very low43Very low200 Ų200141.7 Ų141.787%0.8779%0.79SS**  trans174.3147.6139.2-102.8169.7-178.1178.10113.9
228R43.2Very low42.7Very low218 Ų218144.7 Ų144.782%0.82380%0.796SS**  trans96.4108.2141.4-91.9-174.3171.5-179.2-2.9122
229T41.2Very low42.4Very low137 Ų137149.8 Ų149.884%0.8480%0.798SS**  73.1131.7120.553.70000123
230G42.2Very low42.1Very low72 Ų72151.5 Ų151.574%0.74281%0.805SS**  trans154.584.9158.200000109.7
231N42.3Very low41.8Very low145 Ų145155 Ų15578%0.77581%0.81SS**  51.8122.687.7-148.421.5000114.8
232V46.6Very low41.3Very low134 Ų134150.9 Ų150.981%0.81281%0.814SS**  162.8141.9129.5166.70000110.7
233N40.8Very low40.9Very low151 Ų151155.3 Ų155.381%0.80782%0.816SS**  trans-82.6165.3-159.8-57.1-54.4000116.7
234G37.6Very low40.6Very low76 Ų76157 Ų15778%0.78483%0.825SS**  trans163.1112.2150.900000115.1
235P45.8Very low40.1Very low116 Ų116158 Ų15875%0.75383%0.829SS**  trans-109.2152.2176.137.2-26.9000113.4
236Y41.8Very low39.5Very low244 Ų244157.1 Ų157.196%0.95782%0.823SS**  trans-145.6133.9156.7-88.4-79000111.3
237S38.8Very low39Very low99 Ų99159.2 Ų159.269%0.69283%0.827SS**  trans-84.9152.2-17760.40000113.4
238Y37.8Very low38.7Very low234 Ų234154.7 Ų154.792%0.91882%0.821SS**  -162.6152.5123.2-126.6-99000111.6
239R34.5Very low38.3Very low223 Ų223148.6 Ų148.684%0.84282%0.817SS**  trans-118.3146.7-153.1-176.2-169.9-164-1745.7109.5
240S37.3Very low38.1Very low119 Ų119154.5 Ų154.583%0.83282%0.823SS**  -178.1121.2127.4-840000112.9
241Q37.3Very low37.7Very low172 Ų172154.4 Ų154.480%0.80482%0.823SS**  trans-97.6139.5167.9-70.4173.8-9.900108.5
242C32.3Very low37.2Very low138 Ų138159 Ų15993%0.93283%0.831SS**  trans-97.3117.6163.3-730000109.3
243R36.1Very low37Very low222 Ų222160.8 Ų160.884%0.83883%0.83SS**  trans-122.8156.6169.2-95-170.3179.6-1711.3109.4
244P34.7Very low36.7Very low128 Ų128160.4 Ų160.483%0.83183%0.828SS**  trans-78.9148.4-165.831.2-33.4000113.5
245R33.6Very low36.6Very low252 Ų252165.9 Ų165.995%0.95183%0.827SS**  trans-81.6125.4174.4-95.2-178.9176.1-172.8-1.2111.1
246S34.4Very low36.3Very low103 Ų103167.8 Ų167.872%0.7283%0.831SS**  trans-124.6141.8143.5710000106.7
247L37.2Very low36.1Very low161 Ų161164.2 Ų164.284%0.84382%0.823SS**  trans160.8123.2140-84.7166000111.7
248S36.3Very low36Very low105 Ų105167.5 Ų167.573%0.73483%0.831SS**  trans78.9121.913276.90000121.5
249A35.1Very low35.9Very low90 Ų90161.1 Ų161.174%0.74482%0.821SS**  79.8106.9127.200000118.6
250R38.5Very low36.2Very low260 Ų260155.9 Ų155.998%0.98182%0.815SS**  171.3143.4114.7-95.1171.1-178.2-173.90.8110.2
251G32.5Very low36.5Very low71 Ų71157.7 Ų157.773%0.73281%0.814SS**  trans122.178.5156.200000115Q253G251-Q253 PolarHBondContact O-N 2.76Å
252Y33.1Very low36.9Very low242 Ų242156.2 Ų156.295%0.94981%0.812SS**  trans-65.8116.1148.8-85.5-95000107.5
253Q42.3Very low37.4Very low170 Ų170155 Ų15579%0.79480%0.804SS**  trans-126.4115.2156.8-80-164.5-16.400108.2G251G251-Q253 PolarHBondContact O-N 2.76Å
254N33.8Very low37.9Very low143 Ų143147.6 Ų147.677%0.76578%0.781SS**  trans-98.5106.2172.8-161.3-1.2000105.2
255Y36.5Very low38.4Very low191 Ų191143.9 Ų143.975%0.74976%0.758SS**  trans-130103.4166.6-86.7-80.2000108E257Y255-E257 PolarHBondContact O-N 2.8Å; Y255-E257 VanDerWaalsContact O-N 3.16Å
256N39Very low39.2Very low156 Ų156137.5 Ų137.583%0.83475%0.747SS**  trans-59.7101.2155.2-80.5-30000108.1
257E36.6Very low40.1Very low169 Ų169141.4 Ų141.479%0.7975%0.747SS**  trans-132.2115.1156.3-79.1-166.1159.700109.7Y255 S259Y255-E257 PolarHBondContact O-N 2.8Å; Y255-E257 VanDerWaalsContact O-N 3.16Å; E257-S259 PolarHBondContact O-N 2.76Å; E257-S259 VanDerWaalsContact O-N 3.16Å
258I36.5Very low41.1Very low168 Ų168137.1 Ų137.186%0.86272%0.724SS**  trans-70.1101.9-179.9-64.6162.7000107.2
259S36.8Very low42Very low101 Ų101136.6 Ų136.671%0.70671%0.713SS**  trans-78.5131.2159.3-59.30000107.9E257 I261E257-S259 PolarHBondContact O-N 2.76Å; E257-S259 VanDerWaalsContact O-N 3.16Å; S259-I261 PolarHBondContact O-N 2.83Å; S259-I261 VanDerWaalsContact O-N 3.1Å
260P40.4Very low43.5Very low112 Ų112138.1 Ų138.173%0.72770%0.699SS**  trans-63.7119.8177.926.2-30.3000108.3N262P260-N262 PolarHBondContact O-N 2.85Å
261I43.9Very low44.8Very low158 Ų158128.6 Ų128.681%0.8167%0.666SS**  trans-56109.5165.2-67.4169.6000105.3S259 S263S259-I261 PolarHBondContact O-N 2.83Å; S259-I261 VanDerWaalsContact O-N 3.1Å; I261-S263 VanDerWaalsContact C-N 3.31Å; I261-S263 PolarHBondContact O-N 2.78Å
262N45.7Very low46.5Very low141 Ų141131.9 Ų131.975%0.75466%0.656SS**  trans-52.3106.4161-90-19.5000105.8P260 L264P260-N262 PolarHBondContact O-N 2.85Å; N262-L264 PolarHBondContact O-N 2.94Å
263S43.2Very low48.3Very low111 Ų111124.7 Ų124.778%0.77664%0.638SS**  trans-63.486.2173.657.90000106.9I261 S265I261-S263 VanDerWaalsContact C-N 3.31Å; I261-S263 PolarHBondContact O-N 2.78Å; S263-S265 PolarHBondContact O-N 2.77Å
264L45.1Very low49.6Very low68 Ų68118.1 Ų118.136%0.35661%0.608SS.*  trans-53126.7161.9-105.492.9000106.1N262 T266 D268 L269N262-L264 PolarHBondContact O-N 2.94Å; L264-T266 PolarHBondContact O-N 2.89Å; L264-D268 HydrophobicContact CB-CB 4.34Å; L264-D268 HydrophobicContact CD2-CB 3.61Å; L264-D268 HydrophobicContact CG-CB 4.12Å; L264-L269 HydrophobicContact CB-CG 4.28Å; L264-L269 HydrophobicContact CD2-CD2 4.25Å
265S47Very low51.4Low49 Ų49115.9 Ų115.934%0.34359%0.589SS.*  trans-55.4144.4176.869.40000108.6S263 W267 D268 L269S263-S265 PolarHBondContact O-N 2.77Å; S265-W267 PolarHBondContact O-N 2.84Å; S265-D268 PolarHBondContact N-OD2 3.26Å; S265-D268 WeakPolarHBondContact O-CB 3.38Å; S265-D268 PolarHBondContact O-N 2.77Å; S265-D268 PolarHBondContact OG-N 3.3Å; S265-D268 VanDerWaalsContact OG-N 3.11Å; S265-D268 PolarHBondContact OG-OD2 3.28Å; S265-L269 PolarHBondContact O-N 3.43Å
266T50.3Low53.1Low118 Ų118111.1 Ų111.172%0.72458%0.576SS**Hα-helixtrans-51-28.8174.4-50.20000111.4L264 R270L264-T266 PolarHBondContact O-N 2.89Å; T266-R270 PolarHBondContact O-N 3.37Å
267W51.9Low54.6Low186 Ų186104.6 Ų104.671%0.70554%0.544SS*.Hα-helixtrans-64.7-45.8172.5-61.9110.8000113.4S265 L269 R270 E271S265-W267 PolarHBondContact O-N 2.84Å; W267-L269 VanDerWaalsContact C-N 3.29Å; W267-L269 PolarHBondContact O-N 3.04Å; W267-R270 PolarHBondContact O-N 3.28Å; W267-E271 WeakPolarHBondContact O-CB 3.37Å; W267-E271 PolarHBondContact O-N 2.82Å
268D58.7Low56Low70 Ų7096.7 Ų96.737%0.37451%0.507SS..Hα-helixtrans-62.1-37.3177.1-69.6-53.3000112.1L264 S265 R272L264-D268 HydrophobicContact CB-CB 4.34Å; L264-D268 HydrophobicContact CD2-CB 3.61Å; L264-D268 HydrophobicContact CG-CB 4.12Å; S265-D268 PolarHBondContact N-OD2 3.26Å; S265-D268 WeakPolarHBondContact O-CB 3.38Å; S265-D268 PolarHBondContact O-N 2.77Å; S265-D268 PolarHBondContact OG-N 3.3Å; S265-D268 VanDerWaalsContact OG-N 3.11Å; S265-D268 PolarHBondContact OG-OD2 3.28Å; D268-R272 WeakPolarHBondContact O-CB 3.36Å; D268-R272 VanDerWaalsContact O-CG 3.31Å; D268-R272 WeakPolarHBondContact O-CG 3.1Å; D268-R272 PolarHBondContact O-N 2.78Å
269L54.2Low57.7Low95 Ų9592.5 Ų92.550%0.49749%0.486SS..Hα-helixtrans-69.7-44.6176.4-71.3172.8000111.6L264 S265 W267 E271 R272 T273L264-L269 HydrophobicContact CB-CG 4.28Å; L264-L269 HydrophobicContact CD2-CD2 4.25Å; S265-L269 PolarHBondContact O-N 3.43Å; W267-L269 VanDerWaalsContact C-N 3.29Å; W267-L269 PolarHBondContact O-N 3.04Å; L269-E271 VanDerWaalsContact C-N 3.32Å; L269-E271 PolarHBondContact O-N 3Å; L269-R272 PolarHBondContact O-N 3.37Å; L269-T273 WeakPolarHBondContact O-CB 3.49Å; L269-T273 PolarHBondContact O-N 3.11Å; L269-T273 PolarHBondContact O-OG1 2.75Å
270R68Low59.2Low121 Ų12194.6 Ų94.646%0.45748%0.479SS..Hα-helixtrans-61.5-43.7175.5-172.4179.9-179.3-158.6-0.5110.4T266 W267 T273 I274T266-R270 PolarHBondContact O-N 3.37Å; W267-R270 PolarHBondContact O-N 3.28Å; R270-T273 PolarHBondContact O-N 3.26Å; R270-I274 HydrophobicContact CG-CD1 3.81Å; R270-I274 HydrophobicContact CG-CG1 4.38Å; R270-I274 WeakPolarHBondContact O-CB 3.11Å; R270-I274 VanDerWaalsContact O-CG1 3.25Å; R270-I274 WeakPolarHBondContact O-CG1 3.42Å; R270-I274 PolarHBondContact O-N 2.96Å
271E64.5Low60.6Low60 Ų6090 Ų9028%0.2845%0.449SS..Hα-helixtrans-66.5-43.5179.1-162.6168.5173.900111.3W267 L269 T273 I274 R275W267-E271 WeakPolarHBondContact O-CB 3.37Å; W267-E271 PolarHBondContact O-N 2.82Å; L269-E271 VanDerWaalsContact C-N 3.32Å; L269-E271 PolarHBondContact O-N 3Å; E271-T273 VanDerWaalsContact C-N 3.34Å; E271-T273 PolarHBondContact O-N 3.28Å; E271-I274 PolarHBondContact O-N 2.65Å; E271-R275 HydrophobicContact CG-CG 4.48Å; E271-R275 VanDerWaalsContact O-CB 3.25Å; E271-R275 WeakPolarHBondContact O-CB 3.49Å; E271-R275 WeakPolarHBondContact O-CG 3.22Å; E271-R275 PolarHBondContact O-N 2.89Å; E271-R275 IonicContact OE1-CZ 3.85Å; E271-R275 IonicContact OE1-NH1 3.3Å; E271-R275 IonicContact OE1-NH2 3.78Å; E271-R275 PolarHBondContact OE1-NH2 3.26Å; E271-R275 IonicContact OE2-NH2 3.19Å
272R69.2Low61.8Low140 Ų14083.3 Ų83.353%0.52842%0.415SS..Hα-helixtrans-58.4-44.3171-77.4178-153.8-130.2-0.6112.5D268 L269 R275 D276D268-R272 WeakPolarHBondContact O-CB 3.36Å; D268-R272 VanDerWaalsContact O-CG 3.31Å; D268-R272 WeakPolarHBondContact O-CG 3.1Å; D268-R272 PolarHBondContact O-N 2.78Å; L269-R272 PolarHBondContact O-N 3.37Å; R272-R275 WeakPolarHBondContact O-CB 3.23Å; R272-R275 PolarHBondContact O-N 3.35Å; R272-D276 WeakPolarHBondContact O-CB 3.48Å; R272-D276 VanDerWaalsContact O-CG 3.28Å; R272-D276 PolarHBondContact O-N 3.06Å
273T71.1Confident63Low92 Ų9283.2 Ų83.256%0.56440%0.404SS*.Hα-helixtrans-64.7-44.7-179.2-53.70000111.3L269 R270 E271 R275 D276 A277L269-T273 WeakPolarHBondContact O-CB 3.49Å; L269-T273 PolarHBondContact O-N 3.11Å; L269-T273 PolarHBondContact O-OG1 2.75Å; R270-T273 PolarHBondContact O-N 3.26Å; E271-T273 VanDerWaalsContact C-N 3.34Å; E271-T273 PolarHBondContact O-N 3.28Å; T273-R275 VanDerWaalsContact C-N 3.32Å; T273-D276 PolarHBondContact O-N 3.32Å; T273-A277 VanDerWaalsContact O-CB 3.23Å; T273-A277 WeakPolarHBondContact O-CB 3.5Å; T273-A277 PolarHBondContact O-N 3.44Å
274I70.4Confident64.4Low32 Ų3285.4 Ų85.416%0.16440%0.396CS..Hα-helixtrans-61.4-43.8172.9-69.2168.9000109.8I87 R270 E271 D276 A277 Q278I87-I274 HydrophobicContact CD1-CG2 4.42Å; R270-I274 HydrophobicContact CG-CD1 3.81Å; R270-I274 HydrophobicContact CG-CG1 4.38Å; R270-I274 WeakPolarHBondContact O-CB 3.11Å; R270-I274 VanDerWaalsContact O-CG1 3.25Å; R270-I274 WeakPolarHBondContact O-CG1 3.42Å; R270-I274 PolarHBondContact O-N 2.96Å; E271-I274 PolarHBondContact O-N 2.65Å; I274-D276 VanDerWaalsContact C-N 3.34Å; I274-D276 PolarHBondContact O-N 2.82Å; I274-A277 PolarHBondContact O-N 2.82Å; I274-Q278 HydrophobicContact CG2-CG 4.23Å; I274-Q278 VanDerWaalsContact O-CB 3.27Å; I274-Q278 WeakPolarHBondContact O-CB 3.42Å; I274-Q278 WeakPolarHBondContact O-CG 3.4Å; I274-Q278 PolarHBondContact O-N 2.73Å
275R71Confident65.7Low96 Ų9686.5 Ų86.536%0.36240%0.396SS..Hα-helixtrans-60.2-43.7178.8-78.8-166.4-138.5-103.6-1112.1R40 E271 R272 T273 D279R40-R275 VanDerWaalsContact CZ-CG 3.47Å; R40-R275 PolarHBondContact NH1-O 2.64Å; E271-R275 HydrophobicContact CG-CG 4.48Å; E271-R275 VanDerWaalsContact O-CB 3.25Å; E271-R275 WeakPolarHBondContact O-CB 3.49Å; E271-R275 WeakPolarHBondContact O-CG 3.22Å; E271-R275 PolarHBondContact O-N 2.89Å; E271-R275 IonicContact OE1-CZ 3.85Å; E271-R275 IonicContact OE1-NH1 3.3Å; E271-R275 IonicContact OE1-NH2 3.78Å; E271-R275 PolarHBondContact OE1-NH2 3.26Å; E271-R275 IonicContact OE2-NH2 3.19Å; R272-R275 WeakPolarHBondContact O-CB 3.23Å; R272-R275 PolarHBondContact O-N 3.35Å; T273-R275 VanDerWaalsContact C-N 3.32Å; R275-D279 WeakPolarHBondContact O-CB 3.38Å; R275-D279 PolarHBondContact O-N 3.31Å
276D72.3Confident66.9Low90 Ų9086.1 Ų86.148%0.48139%0.389SS..Hα-helixtrans-73.7-33.8-179.8-76.4-2.9000112.5R272 T273 I274 R280R272-D276 WeakPolarHBondContact O-CB 3.48Å; R272-D276 VanDerWaalsContact O-CG 3.28Å; R272-D276 PolarHBondContact O-N 3.06Å; T273-D276 PolarHBondContact O-N 3.32Å; I274-D276 VanDerWaalsContact C-N 3.34Å; I274-D276 PolarHBondContact O-N 2.82Å; D276-R280 WeakPolarHBondContact O-CG 3.45Å; D276-R280 PolarHBondContact O-N 2.88Å; D276-R280 PolarHBondContact O-NH1 3.14Å
277A69.1Low68.1Low19 Ų1985.6 Ų85.616%0.15738%0.381CS..Hα-helixtrans-65.3-46.4171.200000110.6L92 T273 I274 R280 S281L92-A277 HydrophobicContact CB-CB 4.21Å; L92-A277 HydrophobicContact CD2-CB 3.79Å; L92-A277 HydrophobicContact CG-CB 4.26Å; L92-A277 CarbonylContact O-C 3.54Å; T273-A277 VanDerWaalsContact O-CB 3.23Å; T273-A277 WeakPolarHBondContact O-CB 3.5Å; T273-A277 PolarHBondContact O-N 3.44Å; I274-A277 PolarHBondContact O-N 2.82Å; A277-R280 PolarHBondContact O-N 2.86Å; A277-S281 PolarHBondContact O-N 3.15Å
278Q67.7Low69.3Low4 Ų482.4 Ų82.42%0.01937%0.37CS..Hα-helixtrans-63.4-45.9178-74.7172.7-11.900111.4L92 I274 R280 S281 D282L92-Q278 WeakPolarHBondContact O-CA 3.48Å; L92-Q278 WeakPolarHBondContact O-CG 3.44Å; L92-Q278 PolarHBondContact O-N 3.44Å; L92-Q278 VanDerWaalsContact O-N 3.08Å; I274-Q278 HydrophobicContact CG2-CG 4.23Å; I274-Q278 VanDerWaalsContact O-CB 3.27Å; I274-Q278 WeakPolarHBondContact O-CB 3.42Å; I274-Q278 WeakPolarHBondContact O-CG 3.4Å; I274-Q278 PolarHBondContact O-N 2.73Å; Q278-R280 VanDerWaalsContact C-N 3.26Å; Q278-R280 PolarHBondContact O-N 2.85Å; Q278-S281 CarbonylContact O-C 3.31Å; Q278-S281 PolarHBondContact O-N 3.31Å; Q278-D282 WeakPolarHBondContact O-CB 3.33Å; Q278-D282 VanDerWaalsContact O-CG 3.28Å; Q278-D282 PolarHBondContact O-N 2.84Å
279D70.9Confident70.1Confident80 Ų8081.8 Ų81.843%0.42836%0.362SS..Hα-helixtrans-59-36.3176.5179.181.5000112.9R275 R283R275-D279 WeakPolarHBondContact O-CB 3.38Å; R275-D279 PolarHBondContact O-N 3.31Å; D279-R283 WeakPolarHBondContact O-CG 3.45Å; D279-R283 PolarHBondContact O-N 2.78Å; D279-R283 PolarHBondContact O-NE 3.04Å; D279-R283 IonicContact OD2-CZ 3.36Å; D279-R283 IonicContact OD2-NE 3.25Å; D279-R283 PolarHBondContact OD2-NE 2.7Å; D279-R283 IonicContact OD2-NH2 2.79Å; D279-R283 PolarHBondContact OD2-NH2 3.19Å
280R69.1Low71.3Confident145 Ų14582.6 Ų82.655%0.54736%0.362SS..Hα-helixtrans-68.9-42.5173.2-74-179.7-176.887.4-5.4112D276 A277 Q278 Y284D276-R280 WeakPolarHBondContact O-CG 3.45Å; D276-R280 PolarHBondContact O-N 2.88Å; D276-R280 PolarHBondContact O-NH1 3.14Å; A277-R280 PolarHBondContact O-N 2.86Å; Q278-R280 VanDerWaalsContact C-N 3.26Å; Q278-R280 PolarHBondContact O-N 2.85Å; R280-Y284 PolarHBondContact O-N 3.43Å
281S70Confident71.9Confident16 Ų1685.2 Ų85.211%0.11237%0.372CS..Hα-helixtrans-70-37.4-179.9-172.70000112.5L92 G93 A277 Q278 Y284 W285L92-S281 VanDerWaalsContact C-CB 3.49Å; G93-S281 VanDerWaalsContact CA-OG 3.22Å; G93-S281 WeakPolarHBondContact CA-OG 2.82Å; G93-S281 PolarHBondContact N-OG 3.33Å; G93-S281 VanDerWaalsContact N-OG 3.12Å; A277-S281 PolarHBondContact O-N 3.15Å; Q278-S281 CarbonylContact O-C 3.31Å; Q278-S281 PolarHBondContact O-N 3.31Å; S281-Y284 WeakPolarHBondContact O-CB 3.36Å; S281-Y284 PolarHBondContact O-N 3.08Å; S281-W285 PolarHBondContact O-N 2.8Å; S281-W285 PolarHBondContact OG-NE1 3.16Å
282D67.6Low72.6Confident16 Ų1685.9 Ų85.99%0.08638%0.375CS..Hα-helixtrans-61.6-48.8177.7-72.2-16.8000108.9Q278 Y284 W285 H286Q278-D282 WeakPolarHBondContact O-CB 3.33Å; Q278-D282 VanDerWaalsContact O-CG 3.28Å; Q278-D282 PolarHBondContact O-N 2.84Å; D282-Y284 PolarHBondContact O-N 3.05Å; D282-W285 CarbonylContact O-C 3.58Å; D282-W285 PolarHBondContact O-N 3.17Å; D282-H286 VanDerWaalsContact C-CD2 3.49Å; D282-H286 PolarHBondContact O-CD2 2.97Å; D282-H286 PolarHBondContact O-N 3.44Å
283R72.6Confident73.1Confident140 Ų14083.9 Ų83.953%0.52838%0.375SS..Hα-helixtrans-52.4-40.4174-76.7-175.8-79169.8-13.9113.4D279 L287D279-R283 WeakPolarHBondContact O-CG 3.45Å; D279-R283 PolarHBondContact O-N 2.78Å; D279-R283 PolarHBondContact O-NE 3.04Å; D279-R283 IonicContact OD2-CZ 3.36Å; D279-R283 IonicContact OD2-NE 3.25Å; D279-R283 PolarHBondContact OD2-NE 2.7Å; D279-R283 IonicContact OD2-NH2 2.79Å; D279-R283 PolarHBondContact OD2-NH2 3.19Å; R283-L287 PolarHBondContact O-N 3.02Å
284Y72.6Confident73.5Confident156 Ų15681.7 Ų81.761%0.61236%0.358SS*.Hα-helixtrans-67.9-45.1175.6-177.3-92.2000112.2R280 S281 D282 H286 L287 Y288R280-Y284 PolarHBondContact O-N 3.43Å; S281-Y284 WeakPolarHBondContact O-CB 3.36Å; S281-Y284 PolarHBondContact O-N 3.08Å; D282-Y284 PolarHBondContact O-N 3.05Å; Y284-H286 VanDerWaalsContact C-N 3.31Å; Y284-H286 PolarHBondContact O-N 2.82Å; Y284-L287 WeakPolarHBondContact O-CB 3.46Å; Y284-L287 PolarHBondContact O-N 3.26Å; Y284-Y288 PolarHBondContact O-N 2.84Å
285W71Confident74Confident92 Ų9286.9 Ų86.935%0.34838%0.377SS..Hα-helixtrans-65.3-31.7178.1-77.1118000113S281 D282 Y288 R289S281-W285 PolarHBondContact O-N 2.8Å; S281-W285 PolarHBondContact OG-NE1 3.16Å; D282-W285 CarbonylContact O-C 3.58Å; D282-W285 PolarHBondContact O-N 3.17Å; W285-Y288 AromaticContact CE3-CD1 3.86Å; W285-Y288 HydrophobicContact CE3-CD1 3.86Å; W285-Y288 HydrophobicContact CE3-CG 4.15Å; W285-Y288 AromaticContact CZ3-CD1 3.78Å; W285-Y288 HydrophobicContact CZ3-CD1 3.78Å; W285-Y288 HydrophobicContact CZ3-CE1 4.13Å; W285-Y288 HydrophobicContact CZ3-CG 4.17Å; W285-Y288 PolarHBondContact O-N 2.94Å; W285-R289 PolarHBondContact O-N 2.86Å
286H72.1Confident74.3Confident41 Ų4185.4 Ų85.419%0.1938%0.376CS..Hα-helixtrans-64.4-43.1172.3-75.1-66.3000112.1E33 I38 D282 Y284 Y288 R289 F290E33-H286 IonicContact OE1-CE1 3.69Å; E33-H286 PolarHBondContact OE1-CE1 3.5Å; E33-H286 VanDerWaalsContact OE1-CE1 3.24Å; E33-H286 IonicContact OE1-ND1 2.69Å; E33-H286 PolarHBondContact OE1-ND1 3.36Å; E33-H286 IonicContact OE2-CE1 2.77Å; E33-H286 PolarHBondContact OE2-CE1 3.12Å; E33-H286 IonicContact OE2-ND1 3.35Å; E33-H286 PolarHBondContact OE2-ND1 2.05Å; I38-H286 WeakPolarHBondContact CD1-CD2 3.04Å; I38-H286 VanDerWaalsContact CD1-CE1 3.47Å; I38-H286 WeakPolarHBondContact CD1-CE1 3.27Å; I38-H286 WeakPolarHBondContact CD1-NE2 3.31Å; I38-H286 VanDerWaalsContact CG1-CE1 3.46Å; I38-H286 WeakPolarHBondContact CG1-CE1 3.17Å; I38-H286 WeakPolarHBondContact CG1-NE2 3.39Å; D282-H286 VanDerWaalsContact C-CD2 3.49Å; D282-H286 PolarHBondContact O-CD2 2.97Å; D282-H286 PolarHBondContact O-N 3.44Å; Y284-H286 VanDerWaalsContact C-N 3.31Å; Y284-H286 PolarHBondContact O-N 2.82Å; H286-Y288 VanDerWaalsContact C-N 3.34Å; H286-R289 PolarHBondContact O-N 3.36Å; H286-F290 VanDerWaalsContact O-CB 3.24Å; H286-F290 WeakPolarHBondContact O-CB 3.27Å; H286-F290 PolarHBondContact O-N 3.08Å
287L76.1Confident74.8Confident107 Ų10787.4 Ų87.456%0.5638%0.377SS*.Hα-helixtrans-61.4-44.5173.5-83.8154.9000111.1R283 Y284 F290 W291R283-L287 PolarHBondContact O-N 3.02Å; Y284-L287 WeakPolarHBondContact O-CB 3.46Å; Y284-L287 PolarHBondContact O-N 3.26Å; L287-F290 PolarHBondContact O-N 3.47Å; L287-W291 VanDerWaalsContact O-CD1 3.25Å; L287-W291 PolarHBondContact O-N 3.13Å; L287-W291 VanDerWaalsContact O-N 3.09Å
288Y76.6Confident75.4Confident119 Ų11990.3 Ų90.347%0.46739%0.389SS..Hα-helixtrans-60.7-48.2177.3-178-93.5000112Y284 W285 H286 W291 Q292Y284-Y288 PolarHBondContact O-N 2.84Å; W285-Y288 AromaticContact CE3-CD1 3.86Å; W285-Y288 HydrophobicContact CE3-CD1 3.86Å; W285-Y288 HydrophobicContact CE3-CG 4.15Å; W285-Y288 AromaticContact CZ3-CD1 3.78Å; W285-Y288 HydrophobicContact CZ3-CD1 3.78Å; W285-Y288 HydrophobicContact CZ3-CE1 4.13Å; W285-Y288 HydrophobicContact CZ3-CG 4.17Å; W285-Y288 PolarHBondContact O-N 2.94Å; H286-Y288 VanDerWaalsContact C-N 3.34Å; Y288-W291 PolarHBondContact O-N 2.86Å; Y288-Q292 PolarHBondContact O-N 3.44Å
289R76Confident76Confident56 Ų5697.8 Ų97.821%0.21142%0.417CS..Hα-helixtrans-66.1-38.2177.5-78.8-156-168.5111.51.7113.4E83 W285 H286 W291 Q292 N293E83-R289 IonicContact OE1-CZ 2.65Å; E83-R289 IonicContact OE1-NH1 3.11Å; E83-R289 PolarHBondContact OE1-NH1 3.19Å; E83-R289 IonicContact OE1-NH2 2.77Å; E83-R289 PolarHBondContact OE1-NH2 3.42Å; E83-R289 IonicContact OE2-CZ 3.54Å; E83-R289 IonicContact OE2-NH1 3.77Å; E83-R289 IonicContact OE2-NH2 2.98Å; E83-R289 PolarHBondContact OE2-NH2 3.12Å; W285-R289 PolarHBondContact O-N 2.86Å; H286-R289 PolarHBondContact O-N 3.36Å; R289-W291 VanDerWaalsContact C-N 3.29Å; R289-W291 PolarHBondContact O-N 3.13Å; R289-Q292 PolarHBondContact O-N 3.1Å; R289-N293 WeakPolarHBondContact O-CB 3.34Å; R289-N293 PolarHBondContact O-N 3.14Å
290F80.2Confident76.3Confident113 Ų113100.4 Ų100.450%0.49643%0.431SS..Hα-helixtrans-56-48.3174.1172.4-93.9000110.4H286 L287 N293 E294H286-F290 VanDerWaalsContact O-CB 3.24Å; H286-F290 WeakPolarHBondContact O-CB 3.27Å; H286-F290 PolarHBondContact O-N 3.08Å; L287-F290 PolarHBondContact O-N 3.47Å; F290-N293 PolarHBondContact O-N 3Å; F290-E294 HydrophobicContact CE1-CG 4.06Å; F290-E294 HydrophobicContact CE2-CG 4.24Å; F290-E294 HydrophobicContact CZ-CG 3.88Å; F290-E294 WeakPolarHBondContact O-CB 3.21Å; F290-E294 PolarHBondContact O-N 2.85Å
291W80.8Confident76.8Confident175 Ų175100 Ų10066%0.66344%0.435SS*.Hα-helixtrans-67.2-35.9177.1-81.8109.5000113.3L287 Y288 R289 Y295L287-W291 VanDerWaalsContact O-CD1 3.25Å; L287-W291 PolarHBondContact O-N 3.13Å; L287-W291 VanDerWaalsContact O-N 3.09Å; Y288-W291 PolarHBondContact O-N 2.86Å; R289-W291 VanDerWaalsContact C-N 3.29Å; R289-W291 PolarHBondContact O-N 3.13Å; W291-Y295 VanDerWaalsContact O-CB 3.26Å; W291-Y295 WeakPolarHBondContact O-CB 3.03Å; W291-Y295 PolarHBondContact O-N 3.38Å
292Q78.4Confident76.9Confident74 Ų74109.7 Ų109.735%0.34647%0.469SS..Hα-helixtrans-63.7-46.5174.8-166.566.438.600111.5Y288 R289 Y295 D296Y288-Q292 PolarHBondContact O-N 3.44Å; R289-Q292 PolarHBondContact O-N 3.1Å; Q292-Y295 WeakPolarHBondContact O-CB 3.31Å; Q292-Y295 PolarHBondContact O-N 3.36Å; Q292-D296 PolarHBondContact O-N 3.49Å
293N78.4Confident76.5Confident99 Ų99116.7 Ų116.753%0.52952%0.517SS..Hα-helixtrans-65.9-40.5177.6-72-10000111.9R289 F290 Y295 D296 R297R289-N293 WeakPolarHBondContact O-CB 3.34Å; R289-N293 PolarHBondContact O-N 3.14Å; F290-N293 PolarHBondContact O-N 3Å; N293-Y295 VanDerWaalsContact C-N 3.35Å; N293-D296 PolarHBondContact O-N 3.05Å; N293-R297 WeakPolarHBondContact O-CB 2.98Å; N293-R297 PolarHBondContact O-N 3.25Å
294E80.7Confident76.7Confident46 Ų46115.5 Ų115.522%0.21552%0.516CS..Hα-helixtrans-64.5-39.5173.4-81.8-63.1152.800111.7F290 R297 L298F290-E294 HydrophobicContact CE1-CG 4.06Å; F290-E294 HydrophobicContact CE2-CG 4.24Å; F290-E294 HydrophobicContact CZ-CG 3.88Å; F290-E294 WeakPolarHBondContact O-CB 3.21Å; F290-E294 PolarHBondContact O-N 2.85Å; E294-R297 PolarHBondContact O-N 3.48Å; E294-R297 IonicContact OE1-CZ 2.6Å; E294-R297 IonicContact OE1-NE 3.98Å; E294-R297 IonicContact OE1-NH2 3.87Å; E294-R297 PolarHBondContact OE1-NH2 2.95Å; E294-R297 IonicContact OE2-CZ 2.95Å; E294-R297 VanDerWaalsContact OE2-CZ 3.3Å; E294-R297 IonicContact OE2-NE 2.75Å; E294-R297 PolarHBondContact OE2-NE 3.03Å; E294-R297 VanDerWaalsContact OE2-NE 3.11Å; E294-R297 IonicContact OE2-NH2 3.99Å; E294-R297 PolarHBondContact OE2-NH2 3.24Å; E294-L298 WeakPolarHBondContact O-CB 3.24Å; E294-L298 VanDerWaalsContact O-CG 3.25Å; E294-L298 WeakPolarHBondContact O-CG 3.13Å; E294-L298 PolarHBondContact O-N 2.05Å
295Y79.8Confident76.9Confident141 Ų141113.4 Ų113.455%0.55351%0.511SS*.Hα-helixtrans-61.7-46.4174.5-179-93.7000111.8W291 Q292 N293 R297 L298 R299W291-Y295 VanDerWaalsContact O-CB 3.26Å; W291-Y295 WeakPolarHBondContact O-CB 3.03Å; W291-Y295 PolarHBondContact O-N 3.38Å; Q292-Y295 WeakPolarHBondContact O-CB 3.31Å; Q292-Y295 PolarHBondContact O-N 3.36Å; N293-Y295 VanDerWaalsContact C-N 3.35Å; Y295-R297 PolarHBondContact O-N 3.08Å; Y295-L298 PolarHBondContact O-N 3.12Å; Y295-R299 WeakPolarHBondContact O-CB 3.4Å; Y295-R299 PolarHBondContact O-N 3.02Å
296D79.3Confident77.2Confident64 Ų64114.6 Ų114.634%0.34252%0.52SS..Hα-helixtrans-65.5-38.3177.7-70.1-27000111.5Q292 N293 R299 L300Q292-D296 PolarHBondContact O-N 3.49Å; N293-D296 PolarHBondContact O-N 3.05Å; D296-R299 PolarHBondContact O-N 2.79Å; D296-L300 WeakPolarHBondContact O-CG 3.14Å; D296-L300 PolarHBondContact O-N 3.47Å
297R80.8Confident77.5Confident133 Ų133118.9 Ų118.950%0.50254%0.54SS..Hα-helixtrans-61.8-45.2173.3-170.2179.975.8144.8-1.6112N293 E294 Y295 R299 L300 Q301N293-R297 WeakPolarHBondContact O-CB 2.98Å; N293-R297 PolarHBondContact O-N 3.25Å; E294-R297 PolarHBondContact O-N 3.48Å; E294-R297 IonicContact OE1-CZ 2.6Å; E294-R297 IonicContact OE1-NE 3.98Å; E294-R297 IonicContact OE1-NH2 3.87Å; E294-R297 PolarHBondContact OE1-NH2 2.95Å; E294-R297 IonicContact OE2-CZ 2.95Å; E294-R297 VanDerWaalsContact OE2-CZ 3.3Å; E294-R297 IonicContact OE2-NE 2.75Å; E294-R297 PolarHBondContact OE2-NE 3.03Å; E294-R297 VanDerWaalsContact OE2-NE 3.11Å; E294-R297 IonicContact OE2-NH2 3.99Å; E294-R297 PolarHBondContact OE2-NH2 3.24Å; Y295-R297 PolarHBondContact O-N 3.08Å; R297-R299 VanDerWaalsContact C-N 3.3Å; R297-R299 PolarHBondContact O-N 3.22Å; R297-L300 PolarHBondContact O-N 3.49Å; R297-Q301 WeakPolarHBondContact O-CG 3.23Å; R297-Q301 PolarHBondContact O-N 3.04Å; R297-Q301 VanDerWaalsContact O-N 3.15Å
298L81.9Confident77.6Confident80 Ų80119.6 Ų119.642%0.41954%0.539SS..Hα-helixtrans-66-33.8176.8-72.6171.5000112E294 Y295 Q301 R302E294-L298 WeakPolarHBondContact O-CB 3.24Å; E294-L298 VanDerWaalsContact O-CG 3.25Å; E294-L298 WeakPolarHBondContact O-CG 3.13Å; E294-L298 PolarHBondContact O-N 2.05Å; Y295-L298 PolarHBondContact O-N 3.12Å; L298-Q301 PolarHBondContact O-N 3.15Å; L298-R302 WeakPolarHBondContact O-CG 3.46Å
299R80.3Confident77.7Confident160 Ų160119.7 Ų119.760%0.60454%0.543SS*.Hα-helixtrans-67.6-41.8175.5-169.5178.6-179177.20.6111.6Y295 D296 R297 Q301 R302Y295-R299 WeakPolarHBondContact O-CB 3.4Å; Y295-R299 PolarHBondContact O-N 3.02Å; D296-R299 PolarHBondContact O-N 2.79Å; R297-R299 VanDerWaalsContact C-N 3.3Å; R297-R299 PolarHBondContact O-N 3.22Å; R299-Q301 VanDerWaalsContact C-N 3.31Å; R299-Q301 PolarHBondContact O-N 2.93Å; R299-R302 PolarHBondContact O-N 2.97Å
300L79Confident77.8Confident136 Ų136124.2 Ų124.271%0.71257%0.567SS**Hα-helixtrans-67.2-28.3176.3-72169.6000113.2D296 R297 R302D296-L300 WeakPolarHBondContact O-CG 3.14Å; D296-L300 PolarHBondContact O-N 3.47Å; R297-L300 PolarHBondContact O-N 3.49Å; L300-R302 VanDerWaalsContact C-N 3.26Å; L300-R302 PolarHBondContact O-N 3.39Å
301Q79.8Confident77.6Confident135 Ų135125.1 Ų125.163%0.63157%0.573SS**THydrogen-bonded Turntrans-74.9-12.5174.3-73.3-178.8-7.800113.9R297 L298 R299R297-Q301 WeakPolarHBondContact O-CG 3.23Å; R297-Q301 PolarHBondContact O-N 3.04Å; R297-Q301 VanDerWaalsContact O-N 3.15Å; L298-Q301 PolarHBondContact O-N 3.15Å; R299-Q301 VanDerWaalsContact C-N 3.31Å; R299-Q301 PolarHBondContact O-N 2.93Å
302R72Confident77.3Confident221 Ų221120.9 Ų120.983%0.83457%0.565SS**THydrogen-bonded Turntrans-102.6-2.7-178-71.5-178.2178.7-173.80.9114L298 R299 L300L298-R302 WeakPolarHBondContact O-CG 3.46Å; R299-R302 PolarHBondContact O-N 2.97Å; L300-R302 VanDerWaalsContact C-N 3.26Å; L300-R302 PolarHBondContact O-N 3.39Å
303C57.5Low77.2Confident162 Ų162125.2 Ų125.2100%1.09559%0.585SS**  trans-109.90173.8-66.30000110

Retrieved 303 of 303 residues in 52.8 ms (Link to these results)

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