A0A093GTC5_STRCA Loading...

Serine/threonine-protein phosphatase

AlphaFold DB (A0A2R9A7Y3), UniProt , Accession A0A093GTC5, Species STRCA (Struthio camelus australis), Gene n/a, Length 275 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
1A95.6Very high97.8Very high40 Ų4056.8 Ų56.833%0.33129%0.291SS..  0-60.5000000111.2E3 I4 L5 V67 V71 L115A1-E3 PolarHBondContact O-N 2.69Å; A1-I4 WeakPolarHBondContact O-CA 3.49Å; A1-I4 WeakPolarHBondContact O-CB 3.12Å; A1-I4 PolarHBondContact O-N 3.22Å; A1-L5 PolarHBondContact O-N 3.01Å; A1-V67 HydrophobicContact CB-CG1 3.62Å; A1-V71 HydrophobicContact CB-CG2 3.89Å; A1-L115 HydrophobicContact CB-CD1 3.63Å; A1-L115 HydrophobicContact CB-CD2 4.09Å
2K97.3Very high97.8Very high76 Ų7654.9 Ų54.933%0.3328%0.28SS..Hα-helixtrans-45.7-53.2176.8-66.1-172.5177.7-174.90113.7I4 L5 T6 D114 L115 Y118K2-I4 PolarHBondContact O-N 2.82Å; K2-L5 PolarHBondContact O-N 3.3Å; K2-L5 VanDerWaalsContact O-N 3.12Å; K2-T6 PolarHBondContact O-N 3.42Å; K2-T6 PolarHBondContact O-OG1 3.48Å; K2-D114 WeakPolarHBondContact CE-O 3.44Å; K2-D114 PolarHBondContact NZ-O 2.91Å; K2-L115 HydrophobicContact CB-CD1 4.48Å; K2-L115 HydrophobicContact CG-CD1 3.59Å; K2-Y118 HydrophobicContact CD-CD2 4.25Å; K2-Y118 HydrophobicContact CD-CE2 3.92Å; K2-Y118 HydrophobicContact CG-CD2 4.1Å; K2-Y118 HydrophobicContact CG-CE2 4.25Å; K2-Y118 HydrophobicContact CG-CG 4.4Å
3E97.4Very high97.9Very high162 Ų16258.3 Ų58.376%0.75729%0.294SS*.Hα-helixtrans-54.9-26.1178.1-65.1176.1-172.500115.6A1 K7A1-E3 PolarHBondContact O-N 2.69Å; E3-K7 WeakPolarHBondContact O-CE 3.44Å
4I98.1Very high97.9Very high20 Ų2055.1 Ų55.110%0.10328%0.279CS..Hα-helixtrans-83.7-55.7176.6-62.1160.8000108.3A1 K2 T6 K7 V71 R74A1-I4 WeakPolarHBondContact O-CA 3.49Å; A1-I4 WeakPolarHBondContact O-CB 3.12Å; A1-I4 PolarHBondContact O-N 3.22Å; K2-I4 PolarHBondContact O-N 2.82Å; I4-T6 VanDerWaalsContact C-N 3.29Å; I4-T6 PolarHBondContact O-N 3.08Å; I4-K7 WeakPolarHBondContact O-CB 3.48Å; I4-K7 PolarHBondContact O-N 2.95Å; I4-V71 HydrophobicContact CD1-CB 4.33Å; I4-V71 HydrophobicContact CD1-CG1 4.42Å; I4-V71 HydrophobicContact CD1-CG2 4.08Å; I4-R74 HydrophobicContact CD1-CG 3.97Å; I4-R74 HydrophobicContact CG2-CG 4.41Å
5L98.2Very high97.9Very high1 Ų165 Ų651%0.00531%0.311CS..Hα-helixtrans-63.9-29.1-175.1-62.8173.5000113.4A1 K2 K7 E8 K70 I79 L115 L119 R151A1-L5 PolarHBondContact O-N 3.01Å; K2-L5 PolarHBondContact O-N 3.3Å; K2-L5 VanDerWaalsContact O-N 3.12Å; L5-K7 PolarHBondContact O-N 2.86Å; L5-E8 WeakPolarHBondContact CD2-OE2 3.31Å; L5-E8 PolarHBondContact O-N 2.91Å; L5-K70 HydrophobicContact CD2-CG 4.33Å; L5-I79 HydrophobicContact CD2-CG1 4.47Å; L5-L115 HydrophobicContact CD1-CD1 3.71Å; L5-L115 HydrophobicContact CD1-CG 4.43Å; L5-L119 HydrophobicContact CD1-CD2 3.91Å; L5-L119 HydrophobicContact CD2-CD2 4.43Å; L5-R151 PolarHBondContact O-NH2 3.42Å
6T97.4Very high97.8Very high73 Ų7362 Ų6245%0.44830%0.299SS..THydrogen-bonded Turntrans-59.8-28.4173.1-55.90000112.5K2 I4 Y118K2-T6 PolarHBondContact O-N 3.42Å; K2-T6 PolarHBondContact O-OG1 3.48Å; I4-T6 VanDerWaalsContact C-N 3.29Å; I4-T6 PolarHBondContact O-N 3.08Å; T6-Y118 WeakPolarHBondContact OG1-CD1 3.34Å; T6-Y118 WeakPolarHBondContact OG1-CE1 3.26Å
7K97.4Very high97.8Very high183 Ų18361.9 Ų61.980%0.79631%0.305SS*.THydrogen-bonded Turntrans-88.6-10.1-178.2-59.3177.2-176177.70112.8E3 I4 L5E3-K7 WeakPolarHBondContact O-CE 3.44Å; I4-K7 WeakPolarHBondContact O-CB 3.48Å; I4-K7 PolarHBondContact O-N 2.95Å; L5-K7 PolarHBondContact O-N 2.86Å
8E98.1Very high97.9Very high23 Ų2358.7 Ų58.711%0.10729%0.289CS..SBendtrans-81.3148.6-179-68.3-176.4175.700110.7L5 Q12 K70 P120 R151L5-E8 WeakPolarHBondContact CD2-OE2 3.31Å; L5-E8 PolarHBondContact O-N 2.91Å; E8-Q12 VanDerWaalsContact CB-OE1 3.29Å; E8-K70 WeakPolarHBondContact OE1-CE 3.39Å; E8-K70 IonicContact OE1-NZ 3.59Å; E8-K70 PolarHBondContact OE1-NZ 3.39Å; E8-K70 IonicContact OE2-NZ 3.53Å; E8-P120 HydrophobicContact CB-CG 3.79Å; E8-P120 WeakPolarHBondContact OE2-CG 3.4Å; E8-R151 PolarHBondContact O-NH1 3.18Å; E8-R151 PolarHBondContact O-NH2 3.26Å
9S98.3Very high97.9Very high43 Ų4355.8 Ų55.830%0.30128%0.275SS..  trans-79.1156.2179170.10000110.1V11 P120S9-V11 WeakPolarHBondContact CB-O 3.46Å; S9-V11 PolarHBondContact O-N 2.98Å; S9-V11 PolarHBondContact OG-N 3.05Å; S9-V11 VanDerWaalsContact OG-N 3.11Å; S9-V11 PolarHBondContact OG-O 2.99Å; S9-P120 WeakPolarHBondContact O-CB 3.26Å
10N98.7Very high98Very high3 Ų353.1 Ų53.12%0.01626%0.262CS..SBendtrans-62.2-29.3168.6-71.8-17.2000112L121 T122 I146 L149 R151N10-L121 PolarHBondContact O-N 3.07Å; N10-T122 CarbonylContact O-C 3.08Å; N10-T122 WeakPolarHBondContact O-CA 3.42Å; N10-T122 PolarHBondContact O-N 2.99Å; N10-T122 PolarHBondContact O-OG1 3.27Å; N10-T122 VanDerWaalsContact O-OG1 3.05Å; N10-I146 HydrophobicContact CB-CG2 4.04Å; N10-I146 VanDerWaalsContact CB-O 3.29Å; N10-I146 WeakPolarHBondContact CB-O 3.14Å; N10-I146 PolarHBondContact ND2-O 3.08Å; N10-L149 PolarHBondContact ND2-O 3.27Å; N10-R151 WeakPolarHBondContact OD1-CB 3.33Å; N10-R151 WeakPolarHBondContact OD1-CD 3.35Å; N10-R151 WeakPolarHBondContact OD1-CG 3.3Å; N10-R151 PolarHBondContact OD1-NH1 3.48Å
11V98.8Very high98Very high1 Ų150.5 Ų50.51%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-107.691.7168.9-174.40000106.5S9 T122 L124 I146 R147S9-V11 WeakPolarHBondContact CB-O 3.46Å; S9-V11 PolarHBondContact O-N 2.98Å; S9-V11 PolarHBondContact OG-N 3.05Å; S9-V11 VanDerWaalsContact OG-N 3.11Å; S9-V11 PolarHBondContact OG-O 2.99Å; V11-T122 WeakPolarHBondContact CA-OG1 3.43Å; V11-L124 HydrophobicContact CG1-CB 3.89Å; V11-I146 HydrophobicContact CG2-CB 3.72Å; V11-I146 HydrophobicContact CG2-CG2 3.65Å; V11-R147 HydrophobicContact CB-CG 3.96Å; V11-R147 HydrophobicContact CG2-CG 3.65Å
12Q98.6Very high98.2Very high34 Ų3448.6 Ų48.616%0.15923%0.233CC..EExtended strand (participates in β ladder)trans-80120.4-175.9-178.354.342.200110.6E8 T78 P120 T122 A123 L124E8-Q12 VanDerWaalsContact CB-OE1 3.29Å; Q12-T78 HydrophobicContact CB-CG2 4.4Å; Q12-T78 HydrophobicContact CG-CG2 3.93Å; Q12-P120 HydrophobicContact CB-CB 4.27Å; Q12-T122 PolarHBondContact N-O 3.46Å; Q12-A123 HydrophobicContact CB-CB 4.46Å; Q12-A123 CarbonylContact O-C 3.52Å; Q12-A123 WeakPolarHBondContact O-CA 3.43Å; Q12-A123 WeakPolarHBondContact O-CB 3.05Å; Q12-L124 PolarHBondContact O-N 3.44Å
13E98.4Very high98.2Very high99 Ų9945.1 Ų45.146%0.46322%0.218SC..EExtended strand (participates in β ladder)trans-68.4133.2174.7-61.1-63.1152.500110.2R147E13-R147 IonicContact OE1-NH2 2.77Å
14V98.3Very high98.3Very high14 Ų1437.5 Ų37.59%0.08518%0.183CC..EExtended strand (participates in β ladder)trans-133137.91791780000108.4V18 T78 A123 L124 V125 D126V14-V18 HydrophobicContact CG1-CB 4.21Å; V14-V18 HydrophobicContact CG1-CG1 4.21Å; V14-V18 HydrophobicContact CG1-CG2 3.92Å; V14-T78 HydrophobicContact CG2-CG2 4.12Å; V14-A123 HydrophobicContact CG2-CB 4.02Å; V14-L124 PolarHBondContact N-O 3.25Å; V14-V125 HydrophobicContact CB-CG2 4.18Å; V14-V125 HydrophobicContact CG1-CG2 4.29Å; V14-V125 CarbonylContact O-C 3.6Å; V14-V125 VanDerWaalsContact O-CA 3.29Å; V14-V125 WeakPolarHBondContact O-CA 3.37Å; V14-D126 PolarHBondContact O-N 2.81Å
15R97.3Very high98.3Very high203 Ų20336.6 Ų36.677%0.76618%0.178SC*.PPolyproline II helixtrans-103.2146.4179.2-65.4-176.4-177.6178.20.3111.4D126R15-D126 WeakPolarHBondContact CA-OD1 3.17Å
16C97.4Very high98.3Very high17 Ų1736.6 Ų36.612%0.11518%0.178CC..SBendtrans-66.3155.8163.4-74.50000111.8D126 D245 L248C16-D126 WeakPolarHBondContact CB-OD2 3.29Å; C16-D126 PolarHBondContact N-OD2 3.06Å; C16-D126 VanDerWaalsContact N-OD2 3.08Å; C16-D126 PolarHBondContact SG-OD2 3.48Å; C16-D126 VanDerWaalsContact SG-OD2 3.42Å; C16-D245 WeakPolarHBondContact CB-O 3.24Å; C16-D245 PolarHBondContact SG-O 3.27Å; C16-L248 VanDerWaalsContact SG-CD2 3.51Å
17P97.8Very high98.3Very high61 Ų6133.2 Ų33.240%0.39616%0.157SC..SBendcis-77.4146.8-4.732.2-27.6000110.4N45 L244 D246P17-N45 WeakPolarHBondContact O-CB 3.37Å; P17-N45 PolarHBondContact O-ND2 2.84Å; P17-L244 CarbonylContact C-O 3.55Å; P17-L244 WeakPolarHBondContact CA-O 3.46Å; P17-L244 WeakPolarHBondContact CB-O 3.42Å; P17-D246 WeakPolarHBondContact CD-OD1 3.35Å; P17-D246 WeakPolarHBondContact CG-OD1 3.19Å
18V98.6Very high98.3Very high3 Ų326.7 Ų26.72%0.01813%0.129CC..EExtended strand (participates in β ladder)trans-150142.2-179.465.60000112V14 V20 N45 L47 V125 L244V14-V18 HydrophobicContact CG1-CB 4.21Å; V14-V18 HydrophobicContact CG1-CG1 4.21Å; V14-V18 HydrophobicContact CG1-CG2 3.92Å; V18-V20 HydrophobicContact CG1-CG2 4.38Å; V18-N45 HydrophobicContact CB-CB 4.38Å; V18-N45 HydrophobicContact CG2-CB 4.26Å; V18-L47 HydrophobicContact CG2-CB 3.95Å; V18-V125 HydrophobicContact CG1-CG1 3.71Å; V18-V125 HydrophobicContact CG1-CG2 4.28Å; V18-L244 HydrophobicContact CG1-CB 4.16Å; V18-L244 HydrophobicContact CG1-CD1 3.97Å; V18-L244 PolarHBondContact N-O 3.19Å; V18-L244 PolarHBondContact O-N 3.02Å
19T98.8Very high98.3Very high5 Ų530.4 Ų30.43%0.03115%0.146CC..EExtended strand (participates in β ladder)trans-97.8118.4170.4-56.90000109.6T44 N45 Y46 L47 I241 M242 E243T19-T44 VanDerWaalsContact OG1-CG2 3.3Å; T19-T44 WeakPolarHBondContact OG1-CG2 3.47Å; T19-N45 PolarHBondContact N-O 3.37Å; T19-Y46 HydrophobicContact CG2-CD1 3.94Å; T19-Y46 HydrophobicContact CG2-CE1 3.56Å; T19-Y46 WeakPolarHBondContact O-CA 3.42Å; T19-L47 PolarHBondContact O-N 2.88Å; T19-I241 HydrophobicContact CG2-CB 3.84Å; T19-I241 HydrophobicContact CG2-CD1 3.72Å; T19-I241 HydrophobicContact CG2-CG1 4.18Å; T19-I241 HydrophobicContact CG2-CG2 4.35Å; T19-M242 CarbonylContact C-O 3.59Å; T19-M242 WeakPolarHBondContact CA-O 3.2Å; T19-E243 HydrophobicContact CG2-CG 4.4Å
20V98.8Very high98.3Very high0 Ų029 Ų290%014%0.135CC..EExtended strand (participates in β ladder)trans-94.5128.5178.8-171.40000110V18 L47 M49 I225 M242 L244V18-V20 HydrophobicContact CG1-CG2 4.38Å; V20-L47 CarbonylContact C-O 3.59Å; V20-L47 WeakPolarHBondContact CA-O 2.9Å; V20-L47 HydrophobicContact CG1-CD2 4.28Å; V20-L47 HydrophobicContact CG1-CG 4.4Å; V20-L47 HydrophobicContact CG2-CB 4.46Å; V20-L47 HydrophobicContact CG2-CD2 4.24Å; V20-M49 HydrophobicContact CG1-CE 3.84Å; V20-M49 HydrophobicContact CG1-CG 4.12Å; V20-M49 HydrophobicContact CG1-SD 3.82Å; V20-I225 HydrophobicContact CB-CD1 4.37Å; V20-I225 HydrophobicContact CG1-CD1 4.15Å; V20-M242 HydrophobicContact CB-CB 4.31Å; V20-M242 HydrophobicContact CB-CE 3.92Å; V20-M242 HydrophobicContact CG1-CE 4.34Å; V20-M242 HydrophobicContact CG2-CE 3.78Å; V20-M242 PolarHBondContact N-O 3.24Å; V20-M242 PolarHBondContact O-N 2.98Å; V20-L244 HydrophobicContact CG2-CD1 3.95Å
21C98.9Very high98.2Very high0 Ų028.9 Ų28.90%013%0.134CC..EExtended strand (participates in β ladder)trans-121.2139.9-176.4-54.70000110.4L34 L47 F48 M49 I241C21-L34 HydrophobicContact CB-CD1 4.37Å; C21-L47 PolarHBondContact N-O 2.91Å; C21-F48 HydrophobicContact CB-CD1 3.39Å; C21-F48 HydrophobicContact CB-CE1 3.62Å; C21-F48 HydrophobicContact CB-CG 3.99Å; C21-F48 HydrophobicContact CB-CZ 4.39Å; C21-M49 PolarHBondContact O-N 3.07Å; C21-I241 HydrophobicContact CB-CG2 4.43Å
22G98.8Very high98.1Very high0 Ų032.8 Ų32.80%015%0.154CC..  trans-89.9-149170.200000112.5I225 S227G22-I225 WeakPolarHBondContact CA-O 3.45Å; G22-S227 PolarHBondContact N-OG 2.89Å
23D98.9Very high98Very high2 Ų233.6 Ų33.61%0.01116%0.158CC..BIsolated β-bridgetrans-58.7144-175.4-54.921.7000112.6H25 D51 H133 A206 H207 F226 S227 A228D23-H25 IonicContact OD2-CD2 3.87Å; D23-H25 IonicContact OD2-NE2 3.7Å; D23-D51 HydrophobicContact CB-CB 4.12Å; D23-H133 IonicContact OD1-CE1 2.88Å; D23-H133 PolarHBondContact OD1-CE1 2.92Å; D23-H133 IonicContact OD1-ND1 3.29Å; D23-A206 WeakPolarHBondContact OD1-CB 3.41Å; D23-H207 PolarHBondContact OD1-N 2.97Å; D23-H207 WeakPolarHBondContact OD2-CA 3.28Å; D23-H207 PolarHBondContact OD2-N 3.07Å; D23-F226 HydrophobicContact CB-CD2 3.92Å; D23-F226 HydrophobicContact CB-CE2 3.6Å; D23-F226 HydrophobicContact CB-CZ 4.06Å; D23-F226 WeakPolarHBondContact OD2-CE2 3.3Å; D23-S227 CarbonylContact O-C 3.59Å; D23-S227 VanDerWaalsContact O-CA 3.27Å; D23-S227 WeakPolarHBondContact O-CA 3.47Å; D23-S227 WeakPolarHBondContact O-CB 3.23Å; D23-S227 PolarHBondContact O-N 3.44Å; D23-S227 VanDerWaalsContact O-N 3.13Å; D23-A228 PolarHBondContact O-N 3.27Å
24V98.6Very high98Very high2 Ų229 Ų291%0.01214%0.136CC..  trans-122.2-34.6178.3-1770000112.1G26 Q27 L31 F48 D51 T62V24-G26 PolarHBondContact O-N 2.92Å; V24-Q27 WeakPolarHBondContact O-CB 3.2Å; V24-Q27 PolarHBondContact O-N 3.11Å; V24-Q27 VanDerWaalsContact O-N 3.13Å; V24-L31 HydrophobicContact CG1-CB 3.96Å; V24-L31 HydrophobicContact CG1-CD1 4.46Å; V24-F48 HydrophobicContact CG2-CD1 4.24Å; V24-F48 HydrophobicContact CG2-CE1 4.39Å; V24-D51 PolarHBondContact N-O 3.32Å; V24-T62 HydrophobicContact CB-CG2 4.26Å; V24-T62 HydrophobicContact CG1-CG2 3.59Å
25H98.5Very high98Very high2 Ų229 Ų291%0.00914%0.135CC..THydrogen-bonded Turntrans47.653.9170.5-80.3-59000115.1D23 Q27 D51 V53 D54 R55 G56 H84 Y231D23-H25 IonicContact OD2-CD2 3.87Å; D23-H25 IonicContact OD2-NE2 3.7Å; H25-Q27 PolarHBondContact O-N 2.98Å; H25-D51 IonicContact CE1-OD2 3.12Å; H25-D51 PolarHBondContact N-O 3.15Å; H25-D51 IonicContact NE2-OD2 2.85Å; H25-V53 PolarHBondContact ND1-O 2.92Å; H25-D54 CarbonylContact C-O 3.45Å; H25-D54 WeakPolarHBondContact CA-O 3.11Å; H25-D54 WeakPolarHBondContact CB-O 3.4Å; H25-D54 VanDerWaalsContact O-O 3.12Å; H25-R55 HydrophobicContact CB-CB 4.21Å; H25-G56 WeakPolarHBondContact O-CA 3.19Å; H25-G56 PolarHBondContact O-N 3.24Å; H25-H84 AromaticContact CE1-CD2 3.52Å; H25-H84 AromaticContact CE1-CE1 3.88Å; H25-H84 AromaticContact CE1-CG 3.76Å; H25-H84 AromaticContact CE1-ND1 3.99Å; H25-H84 AromaticContact CE1-NE2 3.61Å; H25-Y231 HydrophobicContact CB-CD2 4.4Å; H25-Y231 HydrophobicContact CB-CE2 3.69Å; H25-Y231 AromaticContact CD2-CE2 3.15Å; H25-Y231 WeakPolarHBondContact CD2-CE2 3.49Å; H25-Y231 AromaticContact CD2-CZ 3.56Å; H25-Y231 PolarHBondContact CD2-OH 3.21Å; H25-Y231 VanDerWaalsContact CD2-OH 3.3Å; H25-Y231 AromaticContact CG-CE2 3.56Å; H25-Y231 AromaticContact NE2-CE2 3.82Å; H25-Y231 AromaticContact NE2-CZ 3.72Å; H25-Y231 PolarHBondContact NE2-OH 2.93Å
26G97.9Very high97.9Very high0 Ų028.2 Ų28.20%013%0.132CC..THydrogen-bonded Turntrans60.316.5174.700000115.2V24 F28 Y52 Y58V24-G26 PolarHBondContact O-N 2.92Å; G26-F28 VanDerWaalsContact C-N 3.26Å; G26-F28 PolarHBondContact O-N 3.03Å; G26-F28 VanDerWaalsContact O-N 3.13Å; G26-Y52 PolarHBondContact N-O 3.28Å; G26-Y58 CarbonylContact O-C 3.57Å; G26-Y58 WeakPolarHBondContact O-CA 3.35Å; G26-Y58 WeakPolarHBondContact O-CB 3.35Å; G26-Y58 PolarHBondContact O-N 3.11Å
27Q98.1Very high97.8Very high3 Ų330.3 Ų30.31%0.01414%0.142CC..  trans-85.765.7173.5-71.2-169.8-16800110.5V24 H25 H29 D30 L31 P229 Y233V24-Q27 WeakPolarHBondContact O-CB 3.2Å; V24-Q27 PolarHBondContact O-N 3.11Å; V24-Q27 VanDerWaalsContact O-N 3.13Å; H25-Q27 PolarHBondContact O-N 2.98Å; Q27-H29 VanDerWaalsContact C-N 3.29Å; Q27-H29 PolarHBondContact O-N 2.87Å; Q27-D30 HydrophobicContact CB-CB 4.12Å; Q27-D30 WeakPolarHBondContact CB-OD2 3.48Å; Q27-D30 PolarHBondContact NE2-OD2 2.82Å; Q27-D30 WeakPolarHBondContact O-CB 3.29Å; Q27-D30 PolarHBondContact O-N 3.44Å; Q27-L31 PolarHBondContact O-N 2.96Å; Q27-P229 PolarHBondContact NE2-O 3.14Å; Q27-Y233 HydrophobicContact CG-CE1 4.19Å
28F97.9Very high97.6Very high45 Ų4527.7 Ų27.720%0.19713%0.125CC..Hα-helixtrans-54.2-39.8-171.2177.1-106.2000114.4G26 D30 L31 M32 Y58 E61 T62 L65G26-F28 VanDerWaalsContact C-N 3.26Å; G26-F28 PolarHBondContact O-N 3.03Å; G26-F28 VanDerWaalsContact O-N 3.13Å; F28-D30 VanDerWaalsContact C-N 3.31Å; F28-D30 PolarHBondContact O-N 3.41Å; F28-L31 WeakPolarHBondContact O-CB 3.26Å; F28-L31 PolarHBondContact O-N 3.49Å; F28-M32 HydrophobicContact CD1-CG 4.48Å; F28-M32 HydrophobicContact CE1-CG 4.05Å; F28-M32 HydrophobicContact CE2-CG 4.44Å; F28-M32 HydrophobicContact CE2-SD 4.27Å; F28-M32 HydrophobicContact CZ-CG 4.02Å; F28-M32 HydrophobicContact CZ-SD 3.99Å; F28-M32 WeakPolarHBondContact O-CG 3.5Å; F28-M32 PolarHBondContact O-N 2.76Å; F28-Y58 VanDerWaalsContact CB-CB 3.45Å; F28-Y58 HydrophobicContact CB-CG 4.17Å; F28-E61 HydrophobicContact CB-CB 4.26Å; F28-E61 HydrophobicContact CD1-CB 4.24Å; F28-E61 HydrophobicContact CD2-CB 3.56Å; F28-E61 HydrophobicContact CE2-CB 3.87Å; F28-E61 HydrophobicContact CG-CB 3.75Å; F28-E61 HydrophobicContact CZ-CB 4.34Å; F28-T62 WeakPolarHBondContact CA-OG1 3.39Å; F28-T62 PolarHBondContact N-OG1 3.13Å; F28-L65 HydrophobicContact CE2-CB 4.26Å; F28-L65 HydrophobicContact CE2-CD2 3.84Å
29H96.7Very high97.5Very high101 Ų10128.6 Ų28.647%0.46814%0.136SC..Hα-helixtrans-68.6-32.9179.8-65.8-62.7000112.5Q27 M32 E33 A258Q27-H29 VanDerWaalsContact C-N 3.29Å; Q27-H29 PolarHBondContact O-N 2.87Å; H29-M32 WeakPolarHBondContact O-CB 3.24Å; H29-M32 PolarHBondContact O-N 3.38Å; H29-E33 PolarHBondContact O-N 2.86Å; H29-E33 VanDerWaalsContact O-N 3.12Å; H29-A258 HydrophobicContact CB-CB 4.15Å; H29-A258 WeakPolarHBondContact O-CB 3.38Å
30D97.7Very high97Very high13 Ų1335.4 Ų35.47%0.0717%0.165CC..Hα-helixtrans-73-34.9174.3-57.4-50.1000111Q27 F28 M32 E33 L34 P229 P257 A258Q27-D30 HydrophobicContact CB-CB 4.12Å; Q27-D30 WeakPolarHBondContact CB-OD2 3.48Å; Q27-D30 PolarHBondContact NE2-OD2 2.82Å; Q27-D30 WeakPolarHBondContact O-CB 3.29Å; Q27-D30 PolarHBondContact O-N 3.44Å; F28-D30 VanDerWaalsContact C-N 3.31Å; F28-D30 PolarHBondContact O-N 3.41Å; D30-M32 VanDerWaalsContact C-N 3.28Å; D30-M32 PolarHBondContact O-N 2.93Å; D30-E33 PolarHBondContact O-N 2.76Å; D30-E33 VanDerWaalsContact O-N 3.11Å; D30-L34 WeakPolarHBondContact O-CB 3.48Å; D30-L34 PolarHBondContact O-N 2.82Å; D30-P229 HydrophobicContact CB-CG 3.87Å; D30-P257 WeakPolarHBondContact OD1-CA 2.77Å; D30-A258 VanDerWaalsContact OD1-CB 3.31Å; D30-A258 WeakPolarHBondContact OD1-CB 3.36Å; D30-A258 PolarHBondContact OD1-N 3.27Å
31L98Very high96.4Very high1 Ų136.4 Ų36.41%0.00517%0.171CC..Hα-helixtrans-60-38.9169.2177.862.2000111.9V24 Q27 F28 E33 L34 F35 F48 T62 L65 L66V24-L31 HydrophobicContact CG1-CB 3.96Å; V24-L31 HydrophobicContact CG1-CD1 4.46Å; Q27-L31 PolarHBondContact O-N 2.96Å; F28-L31 WeakPolarHBondContact O-CB 3.26Å; F28-L31 PolarHBondContact O-N 3.49Å; L31-E33 VanDerWaalsContact C-N 3.31Å; L31-E33 PolarHBondContact O-N 2.8Å; L31-L34 HydrophobicContact CD1-CD1 4.48Å; L31-L34 WeakPolarHBondContact O-CB 3.38Å; L31-L34 PolarHBondContact O-N 3.29Å; L31-F35 HydrophobicContact CD1-CD2 4.18Å; L31-F35 HydrophobicContact CD1-CE2 3.6Å; L31-F35 HydrophobicContact CD1-CZ 3.95Å; L31-F35 HydrophobicContact CD2-CE2 4.13Å; L31-F35 HydrophobicContact CG-CD2 4.13Å; L31-F35 HydrophobicContact CG-CE2 3.67Å; L31-F35 HydrophobicContact CG-CZ 4.47Å; L31-F35 VanDerWaalsContact O-CD2 3.23Å; L31-F35 WeakPolarHBondContact O-CD2 3.48Å; L31-F35 PolarHBondContact O-N 2.93Å; L31-F35 VanDerWaalsContact O-N 3.14Å; L31-F48 HydrophobicContact CD1-CE1 3.8Å; L31-F48 HydrophobicContact CD1-CZ 4.06Å; L31-T62 HydrophobicContact CD2-CG2 3.95Å; L31-L65 HydrophobicContact CD2-CD2 4.12Å; L31-L66 HydrophobicContact CD1-CD2 4.35Å; L31-L66 HydrophobicContact CD2-CD2 4.15Å; L31-L66 HydrophobicContact CD2-CG 4.1Å
32M97.3Very high96Very high84 Ų8438.6 Ų38.641%0.41419%0.186SC..Hα-helixtrans-66.2-35175-67.3-54.7-63.300112F28 H29 D30 R36 L65F28-M32 HydrophobicContact CD1-CG 4.48Å; F28-M32 HydrophobicContact CE1-CG 4.05Å; F28-M32 HydrophobicContact CE2-CG 4.44Å; F28-M32 HydrophobicContact CE2-SD 4.27Å; F28-M32 HydrophobicContact CZ-CG 4.02Å; F28-M32 HydrophobicContact CZ-SD 3.99Å; F28-M32 WeakPolarHBondContact O-CG 3.5Å; F28-M32 PolarHBondContact O-N 2.76Å; H29-M32 WeakPolarHBondContact O-CB 3.24Å; H29-M32 PolarHBondContact O-N 3.38Å; D30-M32 VanDerWaalsContact C-N 3.28Å; D30-M32 PolarHBondContact O-N 2.93Å; M32-R36 WeakPolarHBondContact O-CG 3.43Å; M32-R36 PolarHBondContact O-N 2.86Å; M32-L65 HydrophobicContact SD-CD2 3.69Å
33E96.3Very high95.7Very high51 Ų5145.6 Ų45.624%0.23822%0.223CC..Hα-helixtrans-70.1-40.6174.2-166.361.7-163.400111.5H29 D30 L31 F35 R36 I37 A258H29-E33 PolarHBondContact O-N 2.86Å; H29-E33 VanDerWaalsContact O-N 3.12Å; D30-E33 PolarHBondContact O-N 2.76Å; D30-E33 VanDerWaalsContact O-N 3.11Å; L31-E33 VanDerWaalsContact C-N 3.31Å; L31-E33 PolarHBondContact O-N 2.8Å; E33-F35 VanDerWaalsContact C-N 3.29Å; E33-F35 PolarHBondContact O-N 2.9Å; E33-R36 WeakPolarHBondContact O-CA 3.41Å; E33-R36 WeakPolarHBondContact O-CB 3.47Å; E33-R36 PolarHBondContact O-N 3.21Å; E33-R36 WeakPolarHBondContact OE2-CD 3.32Å; E33-I37 HydrophobicContact CG-CD1 3.94Å; E33-I37 HydrophobicContact CG-CG1 4.45Å; E33-I37 WeakPolarHBondContact O-CG1 3.3Å; E33-I37 PolarHBondContact O-N 2.79Å; E33-A258 HydrophobicContact CB-CB 4.21Å
34L97.6Very high95.6Very high1 Ų146.9 Ų46.91%0.00523%0.231CC..Hα-helixtrans-52.3-46.2172.6-178161.7000111.5C21 D30 L31 R36 I37 G38 Y46 F48 I241 F255C21-L34 HydrophobicContact CB-CD1 4.37Å; D30-L34 WeakPolarHBondContact O-CB 3.48Å; D30-L34 PolarHBondContact O-N 2.82Å; L31-L34 HydrophobicContact CD1-CD1 4.48Å; L31-L34 WeakPolarHBondContact O-CB 3.38Å; L31-L34 PolarHBondContact O-N 3.29Å; L34-R36 VanDerWaalsContact C-N 3.28Å; L34-R36 PolarHBondContact O-N 3.3Å; L34-I37 PolarHBondContact O-N 3.4Å; L34-G38 PolarHBondContact O-N 2.95Å; L34-Y46 HydrophobicContact CD2-CD1 4.41Å; L34-Y46 HydrophobicContact CD2-CE1 3.66Å; L34-F48 HydrophobicContact CD1-CE1 4.34Å; L34-F48 HydrophobicContact CD2-CE1 4.39Å; L34-F48 HydrophobicContact CD2-CZ 4.26Å; L34-I241 HydrophobicContact CD1-CG2 3.73Å; L34-I241 HydrophobicContact CD2-CG2 4.35Å; L34-I241 HydrophobicContact CG-CG2 3.79Å; L34-F255 HydrophobicContact CB-CE2 4.49Å; L34-F255 HydrophobicContact CB-CZ 4Å; L34-F255 HydrophobicContact CD1-CZ 4.22Å; L34-F255 HydrophobicContact CG-CZ 4.33Å
35F97.4Very high95.6Very high16 Ų1647.9 Ų47.97%0.0724%0.237CC..Hα-helixtrans-70.5-18.4175.5-70.7-52.5000114.5L31 E33 G39 Y46 F48 L65 L66 L69L31-F35 HydrophobicContact CD1-CD2 4.18Å; L31-F35 HydrophobicContact CD1-CE2 3.6Å; L31-F35 HydrophobicContact CD1-CZ 3.95Å; L31-F35 HydrophobicContact CD2-CE2 4.13Å; L31-F35 HydrophobicContact CG-CD2 4.13Å; L31-F35 HydrophobicContact CG-CE2 3.67Å; L31-F35 HydrophobicContact CG-CZ 4.47Å; L31-F35 VanDerWaalsContact O-CD2 3.23Å; L31-F35 WeakPolarHBondContact O-CD2 3.48Å; L31-F35 PolarHBondContact O-N 2.93Å; L31-F35 VanDerWaalsContact O-N 3.14Å; E33-F35 VanDerWaalsContact C-N 3.29Å; E33-F35 PolarHBondContact O-N 2.9Å; F35-G39 CarbonylContact O-C 3.52Å; F35-G39 WeakPolarHBondContact O-CA 3.1Å; F35-G39 PolarHBondContact O-N 2.81Å; F35-G39 VanDerWaalsContact O-O 3.05Å; F35-Y46 HydrophobicContact CD1-CD2 4.4Å; F35-Y46 HydrophobicContact CD1-CE1 4.33Å; F35-Y46 AromaticContact CD1-CE2 3.75Å; F35-Y46 HydrophobicContact CD1-CE2 3.75Å; F35-Y46 AromaticContact CD1-CZ 3.71Å; F35-Y46 HydrophobicContact CE1-CD1 4.46Å; F35-Y46 HydrophobicContact CE1-CD2 4.02Å; F35-Y46 HydrophobicContact CE1-CE1 4.31Å; F35-Y46 AromaticContact CE1-CE2 3.84Å; F35-Y46 HydrophobicContact CE1-CE2 3.84Å; F35-Y46 HydrophobicContact CE1-CG 4.31Å; F35-Y46 AromaticContact CE1-CZ 4Å; F35-F48 HydrophobicContact CE1-CE2 4.29Å; F35-F48 AromaticContact CE1-CZ 3.86Å; F35-F48 HydrophobicContact CE1-CZ 3.86Å; F35-F48 HydrophobicContact CZ-CE2 4.25Å; F35-F48 AromaticContact CZ-CZ 3.75Å; F35-F48 HydrophobicContact CZ-CZ 3.75Å; F35-L65 HydrophobicContact CD2-CD2 4.45Å; F35-L65 HydrophobicContact CE2-CD2 3.97Å; F35-L66 HydrophobicContact CZ-CD2 4.13Å; F35-L69 HydrophobicContact CE1-CD1 4.28Å; F35-L69 HydrophobicContact CE2-CD1 3.94Å; F35-L69 HydrophobicContact CZ-CD1 3.58Å
36R95.4Very high95.6Very high186 Ų18647.9 Ų47.970%0.70224%0.236SC*.Hα-helixtrans-80.1-33.5172.2-68.9176.276.8155.25.3111.4M32 E33 L34M32-R36 WeakPolarHBondContact O-CG 3.43Å; M32-R36 PolarHBondContact O-N 2.86Å; E33-R36 WeakPolarHBondContact O-CA 3.41Å; E33-R36 WeakPolarHBondContact O-CB 3.47Å; E33-R36 PolarHBondContact O-N 3.21Å; E33-R36 WeakPolarHBondContact OE2-CD 3.32Å; L34-R36 VanDerWaalsContact C-N 3.28Å; L34-R36 PolarHBondContact O-N 3.3Å
37I95.1Very high95.6Very high61 Ų6147.9 Ų47.931%0.31324%0.236SC..Hα-helixtrans-82.3-54-177.8-65.1175.6000111E33 L34 G39 I241 L253 F255E33-I37 HydrophobicContact CG-CD1 3.94Å; E33-I37 HydrophobicContact CG-CG1 4.45Å; E33-I37 WeakPolarHBondContact O-CG1 3.3Å; E33-I37 PolarHBondContact O-N 2.79Å; L34-I37 PolarHBondContact O-N 3.4Å; I37-G39 VanDerWaalsContact C-N 3.26Å; I37-G39 PolarHBondContact O-N 2.89Å; I37-I241 HydrophobicContact CG2-CD1 4.41Å; I37-L253 HydrophobicContact CG2-CB 4.13Å; I37-L253 HydrophobicContact CG2-CD1 3.92Å; I37-F255 HydrophobicContact CD1-CB 3.26Å; I37-F255 HydrophobicContact CD1-CD1 4.33Å; I37-F255 HydrophobicContact CD1-CD2 4.26Å; I37-F255 HydrophobicContact CD1-CG 3.74Å
38G95.2Very high95.7Very high5 Ų547.7 Ų47.75%0.05224%0.236CC..SBendtrans-78.8-5.7179.300000114.5L34 T44 Y46L34-G38 PolarHBondContact O-N 2.95Å; G38-T44 VanDerWaalsContact O-CG2 3.32Å; G38-T44 WeakPolarHBondContact O-CG2 3.19Å; G38-T44 PolarHBondContact O-OG1 3.38Å; G38-Y46 WeakPolarHBondContact CA-OH 3.4Å; G38-Y46 PolarHBondContact O-OH 2.86Å
39G95.4Very high95.7Very high23 Ų2345.6 Ų45.624%0.23723%0.226CC..  trans94.4160.8-178.700000114.1F35 I37 Y46F35-G39 CarbonylContact O-C 3.52Å; F35-G39 WeakPolarHBondContact O-CA 3.1Å; F35-G39 PolarHBondContact O-N 2.81Å; F35-G39 VanDerWaalsContact O-O 3.05Å; I37-G39 VanDerWaalsContact C-N 3.26Å; I37-G39 PolarHBondContact O-N 2.89Å; G39-Y46 WeakPolarHBondContact O-CE2 3.41Å; G39-Y46 PolarHBondContact O-OH 2.6Å
40K89.1Confident95.8Very high148 Ų14840.8 Ų40.864%0.64320%0.204SC*.  trans-88.1140.6-173.1-67.2-178.4-178.4176.20111D43 T44K40-D43 WeakPolarHBondContact O-CB 3.44Å; K40-D43 PolarHBondContact O-N 2.88Å; K40-T44 PolarHBondContact O-N 2.88Å
41S85.4Confident95.9Very high20 Ų2040.2 Ų40.214%0.1420%0.201CC..THydrogen-bonded Turntrans-67136.3162.8-166.40000110.1Y73S41-Y73 WeakPolarHBondContact OG-CD2 3.46Å
42P90.6Very high95.9Very high47 Ų4740.4 Ų40.431%0.30520%0.202SC..THydrogen-bonded Turncis-95.47.213.737.9-35.6000116.1T44 Y73 R76P42-T44 VanDerWaalsContact C-N 3.33Å; P42-Y73 HydrophobicContact CB-CD1 3.77Å; P42-Y73 HydrophobicContact CB-CD2 4.44Å; P42-Y73 HydrophobicContact CB-CE1 3.75Å; P42-Y73 HydrophobicContact CB-CE2 4.41Å; P42-Y73 HydrophobicContact CB-CG 4.13Å; P42-Y73 HydrophobicContact CG-CD1 4.41Å; P42-Y73 HydrophobicContact CG-CE1 3.89Å; P42-R76 WeakPolarHBondContact O-CD 3.33Å; P42-R76 PolarHBondContact O-NE 2.99Å
43D92.8Very high96Very high146 Ų14636.4 Ų36.478%0.78118%0.182SC*.THydrogen-bonded Turntrans-72.3-31.4-176.8-56.6-39.7000111.6K40K40-D43 WeakPolarHBondContact O-CB 3.44Å; K40-D43 PolarHBondContact O-N 2.88Å
44T96.1Very high96.1Very high29 Ų2934 Ų3418%0.17817%0.171CC..SBendtrans-107.5136.2171.7-52.30000111T19 G38 K40 P42 Y46T19-T44 VanDerWaalsContact OG1-CG2 3.3Å; T19-T44 WeakPolarHBondContact OG1-CG2 3.47Å; G38-T44 VanDerWaalsContact O-CG2 3.32Å; G38-T44 WeakPolarHBondContact O-CG2 3.19Å; G38-T44 PolarHBondContact O-OG1 3.38Å; K40-T44 PolarHBondContact O-N 2.88Å; P42-T44 VanDerWaalsContact C-N 3.33Å; T44-Y46 HydrophobicContact CG2-CD2 4.18Å; T44-Y46 HydrophobicContact CG2-CE2 3.71Å
45N98.3Very high96Very high24 Ų2435.9 Ų35.913%0.12818%0.178CC..  trans-86.2141.7169.3-54.7-35.8000110P17 V18 T19 R76P17-N45 WeakPolarHBondContact O-CB 3.37Å; P17-N45 PolarHBondContact O-ND2 2.84Å; V18-N45 HydrophobicContact CB-CB 4.38Å; V18-N45 HydrophobicContact CG2-CB 4.26Å; T19-N45 PolarHBondContact N-O 3.37Å; N45-R76 CarbonylContact C-O 3.53Å; N45-R76 VanDerWaalsContact CA-O 3.26Å; N45-R76 WeakPolarHBondContact CA-O 3.35Å; N45-R76 WeakPolarHBondContact OD1-CB 3.42Å; N45-R76 VanDerWaalsContact OD1-CD 3.28Å; N45-R76 WeakPolarHBondContact OD1-CD 3.44Å; N45-R76 WeakPolarHBondContact OD1-CG 3.28Å; N45-R76 PolarHBondContact OD1-NH1 2.87Å
46Y98.8Very high95.8Very high1 Ų135.2 Ų35.20%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-126.7143.1-179.3-76.9-86.9000113T19 L34 F35 G38 G39 T44 F48 R76 I77 T78T19-Y46 HydrophobicContact CG2-CD1 3.94Å; T19-Y46 HydrophobicContact CG2-CE1 3.56Å; T19-Y46 WeakPolarHBondContact O-CA 3.42Å; L34-Y46 HydrophobicContact CD2-CD1 4.41Å; L34-Y46 HydrophobicContact CD2-CE1 3.66Å; F35-Y46 HydrophobicContact CD1-CD2 4.4Å; F35-Y46 HydrophobicContact CD1-CE1 4.33Å; F35-Y46 AromaticContact CD1-CE2 3.75Å; F35-Y46 HydrophobicContact CD1-CE2 3.75Å; F35-Y46 AromaticContact CD1-CZ 3.71Å; F35-Y46 HydrophobicContact CE1-CD1 4.46Å; F35-Y46 HydrophobicContact CE1-CD2 4.02Å; F35-Y46 HydrophobicContact CE1-CE1 4.31Å; F35-Y46 AromaticContact CE1-CE2 3.84Å; F35-Y46 HydrophobicContact CE1-CE2 3.84Å; F35-Y46 HydrophobicContact CE1-CG 4.31Å; F35-Y46 AromaticContact CE1-CZ 4Å; G38-Y46 WeakPolarHBondContact CA-OH 3.4Å; G38-Y46 PolarHBondContact O-OH 2.86Å; G39-Y46 WeakPolarHBondContact O-CE2 3.41Å; G39-Y46 PolarHBondContact O-OH 2.6Å; T44-Y46 HydrophobicContact CG2-CD2 4.18Å; T44-Y46 HydrophobicContact CG2-CE2 3.71Å; Y46-F48 AromaticContact CD1-CE2 3.99Å; Y46-F48 HydrophobicContact CD1-CE2 3.99Å; Y46-F48 HydrophobicContact CD1-CZ 4.03Å; Y46-F48 AromaticContact CG-CE2 3.94Å; Y46-F48 HydrophobicContact CG-CE2 3.94Å; Y46-F48 HydrophobicContact CG-CZ 4.36Å; Y46-R76 PolarHBondContact N-O 2.87Å; Y46-I77 HydrophobicContact CD2-CD1 4.07Å; Y46-I77 HydrophobicContact CG-CD1 4.38Å; Y46-I77 CarbonylContact O-C 3.54Å; Y46-I77 WeakPolarHBondContact O-CA 2.94Å; Y46-T78 PolarHBondContact O-N 3.43Å
47L98.9Very high95.7Very high0 Ų028.7 Ų28.70%015%0.151CC..EExtended strand (participates in β ladder)trans-123.4112.8167.117061.8000108.5V18 T19 V20 C21 T78 L80 A123 V125 C131V18-L47 HydrophobicContact CG2-CB 3.95Å; T19-L47 PolarHBondContact O-N 2.88Å; V20-L47 CarbonylContact C-O 3.59Å; V20-L47 WeakPolarHBondContact CA-O 2.9Å; V20-L47 HydrophobicContact CG1-CD2 4.28Å; V20-L47 HydrophobicContact CG1-CG 4.4Å; V20-L47 HydrophobicContact CG2-CB 4.46Å; V20-L47 HydrophobicContact CG2-CD2 4.24Å; C21-L47 PolarHBondContact N-O 2.91Å; L47-T78 WeakPolarHBondContact CA-O 3.31Å; L47-T78 HydrophobicContact CD1-CG2 3.43Å; L47-T78 VanDerWaalsContact CD1-CG2 3.43Å; L47-L80 HydrophobicContact CD1-CD1 4.07Å; L47-L80 HydrophobicContact CD1-CD2 4.28Å; L47-L80 HydrophobicContact CD1-CG 3.91Å; L47-A123 HydrophobicContact CD1-CB 3.74Å; L47-A123 HydrophobicContact CD2-CB 3.89Å; L47-A123 HydrophobicContact CG-CB 4.5Å; L47-V125 HydrophobicContact CD2-CG2 3.91Å; L47-C131 HydrophobicContact CD2-CB 3.65Å
48F98.9Very high95.8Very high0 Ų028.2 Ų28.20%015%0.146CC..EExtended strand (participates in β ladder)trans-100.7132.4173.3-64.8-100.4000110.6C21 V24 L31 L34 F35 Y46 Y52 L66 T78 I79 L80C21-F48 HydrophobicContact CB-CD1 3.39Å; C21-F48 HydrophobicContact CB-CE1 3.62Å; C21-F48 HydrophobicContact CB-CG 3.99Å; C21-F48 HydrophobicContact CB-CZ 4.39Å; V24-F48 HydrophobicContact CG2-CD1 4.24Å; V24-F48 HydrophobicContact CG2-CE1 4.39Å; L31-F48 HydrophobicContact CD1-CE1 3.8Å; L31-F48 HydrophobicContact CD1-CZ 4.06Å; L34-F48 HydrophobicContact CD1-CE1 4.34Å; L34-F48 HydrophobicContact CD2-CE1 4.39Å; L34-F48 HydrophobicContact CD2-CZ 4.26Å; F35-F48 HydrophobicContact CE1-CE2 4.29Å; F35-F48 AromaticContact CE1-CZ 3.86Å; F35-F48 HydrophobicContact CE1-CZ 3.86Å; F35-F48 HydrophobicContact CZ-CE2 4.25Å; F35-F48 AromaticContact CZ-CZ 3.75Å; F35-F48 HydrophobicContact CZ-CZ 3.75Å; Y46-F48 AromaticContact CD1-CE2 3.99Å; Y46-F48 HydrophobicContact CD1-CE2 3.99Å; Y46-F48 HydrophobicContact CD1-CZ 4.03Å; Y46-F48 AromaticContact CG-CE2 3.94Å; Y46-F48 HydrophobicContact CG-CE2 3.94Å; Y46-F48 HydrophobicContact CG-CZ 4.36Å; F48-Y52 HydrophobicContact CB-CE1 3.7Å; F48-Y52 HydrophobicContact CG-CE1 4.45Å; F48-Y52 PolarHBondContact O-OH 3.34Å; F48-L66 HydrophobicContact CD1-CD2 4.32Å; F48-L66 HydrophobicContact CD2-CD2 4.04Å; F48-L66 HydrophobicContact CE1-CD2 4.02Å; F48-L66 HydrophobicContact CE2-CD2 3.7Å; F48-L66 HydrophobicContact CG-CD2 4.35Å; F48-L66 HydrophobicContact CZ-CD2 3.71Å; F48-T78 PolarHBondContact N-O 3.07Å; F48-I79 HydrophobicContact CB-CG2 4.34Å; F48-I79 HydrophobicContact CD2-CG2 4.32Å; F48-L80 WeakPolarHBondContact O-CB 3.33Å; F48-L80 WeakPolarHBondContact O-CG 3.43Å; F48-L80 PolarHBondContact O-N 2.8Å
49M98.9Very high96Very high0 Ų028 Ų280%014%0.144CC..  trans-87.8-8.1-171.2-66.9-174-68.700115.1V20 C21 L80 C131 H133 S204 R205 A206 I225V20-M49 HydrophobicContact CG1-CE 3.84Å; V20-M49 HydrophobicContact CG1-CG 4.12Å; V20-M49 HydrophobicContact CG1-SD 3.82Å; C21-M49 PolarHBondContact O-N 3.07Å; M49-L80 HydrophobicContact CG-CD1 4.42Å; M49-C131 HydrophobicContact SD-CB 4.26Å; M49-H133 VanDerWaalsContact O-CB 3.27Å; M49-H133 WeakPolarHBondContact O-CB 3.26Å; M49-H133 PolarHBondContact O-ND1 2.99Å; M49-S204 VanDerWaalsContact SD-O 3.38Å; M49-R205 WeakPolarHBondContact CE-O 3.33Å; M49-A206 HydrophobicContact CB-CB 3.98Å; M49-A206 HydrophobicContact CE-CB 4.01Å; M49-I225 HydrophobicContact CE-CB 3.86Å; M49-I225 HydrophobicContact CE-CD1 4Å; M49-I225 HydrophobicContact CE-CG1 4.29Å
50G98.6Very high96.2Very high0 Ų027 Ų270%013%0.133CC..SBendtrans136.3-171.8176.800000113.1
51D98.8Very high96.6Very high2 Ų222.9 Ų22.91%0.01112%0.116CC..  trans54.462.9174.6-74.37.2000112.7D23 V24 H25 G82 N83 H84 E85 H133D23-D51 HydrophobicContact CB-CB 4.12Å; V24-D51 PolarHBondContact N-O 3.32Å; H25-D51 IonicContact CE1-OD2 3.12Å; H25-D51 PolarHBondContact N-O 3.15Å; H25-D51 IonicContact NE2-OD2 2.85Å; D51-G82 WeakPolarHBondContact OD1-CA 3.14Å; D51-N83 PolarHBondContact OD1-N 3.11Å; D51-N83 PolarHBondContact OD1-OD1 3.48Å; D51-N83 PolarHBondContact OD2-OD1 2.87Å; D51-H84 HydrophobicContact CB-CB 4.42Å; D51-H84 WeakPolarHBondContact OD1-CB 3.44Å; D51-H84 IonicContact OD1-CD2 3.6Å; D51-H84 IonicContact OD1-CG 2.68Å; D51-H84 PolarHBondContact OD1-N 3.43Å; D51-H84 IonicContact OD2-CD2 2.74Å; D51-H84 PolarHBondContact OD2-CD2 3.01Å; D51-H84 VanDerWaalsContact OD2-CD2 3.25Å; D51-E85 PolarHBondContact N-OE2 3.29Å; D51-H133 IonicContact OD1-CD2 3.83Å; D51-H133 IonicContact OD1-CE1 3.63Å; D51-H133 PolarHBondContact OD1-CE1 2.91Å; D51-H133 IonicContact OD1-NE2 3.69Å; D51-H133 PolarHBondContact OD1-NE2 3.48Å; D51-H133 VanDerWaalsContact OD1-NE2 3.12Å; D51-H133 IonicContact OD2-CE1 3.06Å; D51-H133 PolarHBondContact OD2-CE1 2.91Å; D51-H133 IonicContact OD2-NE2 2.91Å; D51-H133 PolarHBondContact OD2-NE2 3.18Å
52Y98.9Very high97.2Very high4 Ų422 Ų222%0.01611%0.109CC..  trans-83.8-29.5178.9-47.5-54.5000112.4G26 F48 T62 L66 I79 L80 E85 L119G26-Y52 PolarHBondContact N-O 3.28Å; F48-Y52 HydrophobicContact CB-CE1 3.7Å; F48-Y52 HydrophobicContact CG-CE1 4.45Å; F48-Y52 PolarHBondContact O-OH 3.34Å; Y52-T62 VanDerWaalsContact O-CG2 3.26Å; Y52-T62 WeakPolarHBondContact O-CG2 3.33Å; Y52-L66 HydrophobicContact CD1-CD1 3.25Å; Y52-L66 HydrophobicContact CE1-CD1 3.73Å; Y52-L66 HydrophobicContact CG-CD1 3.84Å; Y52-I79 WeakPolarHBondContact OH-CA 3.25Å; Y52-I79 WeakPolarHBondContact OH-CB 3.49Å; Y52-L80 VanDerWaalsContact CE2-O 3.26Å; Y52-L80 WeakPolarHBondContact CE2-O 3.48Å; Y52-L80 VanDerWaalsContact CZ-O 3.27Å; Y52-L80 PolarHBondContact OH-N 2.81Å; Y52-L80 PolarHBondContact OH-O 2.85Å; Y52-E85 VanDerWaalsContact CD2-CD 3.43Å; Y52-E85 HydrophobicContact CD2-CG 3.81Å; Y52-E85 VanDerWaalsContact CD2-OE1 3.28Å; Y52-E85 WeakPolarHBondContact CD2-OE1 3.38Å; Y52-E85 HydrophobicContact CE2-CG 4.16Å; Y52-E85 PolarHBondContact N-OE1 2.82Å; Y52-L119 HydrophobicContact CE2-CD1 4.22Å
53V98.8Very high97.6Very high0 Ų019.8 Ų19.80%010%0.095CC..SBendtrans-113.9177.9-170.9-58.70000111.8H25 V63 H84 T90 F95 F116H25-V53 PolarHBondContact ND1-O 2.92Å; V53-V63 HydrophobicContact CG1-CB 3.87Å; V53-V63 HydrophobicContact CG1-CG1 4.1Å; V53-V63 HydrophobicContact CG1-CG2 4.27Å; V53-H84 HydrophobicContact CG2-CB 4.35Å; V53-T90 HydrophobicContact CG2-CG2 3.77Å; V53-F95 HydrophobicContact CB-CB 4.12Å; V53-F95 HydrophobicContact CB-CD1 4.18Å; V53-F95 HydrophobicContact CB-CD2 4.12Å; V53-F95 HydrophobicContact CB-CG 3.89Å; V53-F95 HydrophobicContact CG1-CD1 4.22Å; V53-F95 HydrophobicContact CG1-CD2 4.08Å; V53-F95 HydrophobicContact CG1-CE1 4.17Å; V53-F95 HydrophobicContact CG1-CE2 3.99Å; V53-F95 HydrophobicContact CG1-CG 4.16Å; V53-F95 HydrophobicContact CG1-CZ 4.03Å; V53-F95 HydrophobicContact CG2-CB 4.34Å; V53-F95 HydrophobicContact CG2-CD1 4.16Å; V53-F95 HydrophobicContact CG2-CG 4.26Å; V53-F116 HydrophobicContact CG1-CZ 4.04Å; V53-F116 HydrophobicContact CG2-CE2 4.34Å; V53-F116 HydrophobicContact CG2-CZ 4.42Å
54D98.4Very high97.9Very high0 Ų015.9 Ų15.90%08%0.077CC..SBendtrans63.6165.1-176.9-65-38.7000113.8H25 G56 S59 H84 T90 Y93 G94 F95H25-D54 CarbonylContact C-O 3.45Å; H25-D54 WeakPolarHBondContact CA-O 3.11Å; H25-D54 WeakPolarHBondContact CB-O 3.4Å; H25-D54 VanDerWaalsContact O-O 3.12Å; D54-G56 PolarHBondContact O-N 2.84Å; D54-S59 PolarHBondContact N-OG 3.07Å; D54-S59 VanDerWaalsContact N-OG 3.09Å; D54-H84 VanDerWaalsContact CB-ND1 3.29Å; D54-H84 WeakPolarHBondContact CB-ND1 3.46Å; D54-H84 IonicContact OD2-CE1 3.05Å; D54-H84 IonicContact OD2-CG 3.7Å; D54-H84 IonicContact OD2-ND1 2.66Å; D54-H84 PolarHBondContact OD2-ND1 3Å; D54-T90 WeakPolarHBondContact OD2-CA 3.49Å; D54-Y93 WeakPolarHBondContact CA-O 3.44Å; D54-Y93 VanDerWaalsContact CB-O 3.31Å; D54-Y93 WeakPolarHBondContact CB-O 3.19Å; D54-Y93 VanDerWaalsContact OD1-C 3.24Å; D54-G94 PolarHBondContact OD1-N 3.12Å; D54-F95 WeakPolarHBondContact OD1-CB 3.12Å; D54-F95 PolarHBondContact OD1-N 3.02Å
55R95.4Very high98Very high41 Ų4116.6 Ų16.616%0.1558%0.079CC..SBendtrans63.1-26175.4-50.7-75.2-160162.27.3115.6H25 Y93 Y231 Y273 F274 L275H25-R55 HydrophobicContact CB-CB 4.21Å; R55-Y93 PolarHBondContact N-O 3.34Å; R55-Y231 HydrophobicContact CB-CE2 4.12Å; R55-Y231 HydrophobicContact CG-CE2 4.47Å; R55-Y231 WeakPolarHBondContact CG-OH 3.38Å; R55-Y273 WeakPolarHBondContact CD-O 3.19Å; R55-Y273 PolarHBondContact NH1-O 3.32Å; R55-F274 WeakPolarHBondContact O-CD1 3.2Å; R55-F274 WeakPolarHBondContact O-CE1 3.29Å; R55-F274 WeakPolarHBondContact O-CZ 3.41Å; R55-L275 PolarHBondContact NH1-O 2.71Å
56G94.1Very high98.1Very high2 Ų215.5 Ų15.52%0.0217%0.073CC..SBendtrans-94.3171.4168.200000112.7H25 D54 Y233H25-G56 WeakPolarHBondContact O-CA 3.19Å; H25-G56 PolarHBondContact O-N 3.24Å; D54-G56 PolarHBondContact O-N 2.84Å; G56-Y233 WeakPolarHBondContact CA-OH 3.13Å
57Y94Very high98.1Very high50 Ų5016.6 Ų16.620%0.1968%0.08CC..SBendtrans-91-10.8178-63.8-62.1000114.1Y233 V266 P271 F274Y57-Y233 HydrophobicContact CD2-CD2 4.19Å; Y57-Y233 HydrophobicContact CD2-CE1 4.44Å; Y57-Y233 AromaticContact CD2-CE2 3.5Å; Y57-Y233 HydrophobicContact CD2-CE2 3.5Å; Y57-Y233 VanDerWaalsContact CD2-CE2 3.5Å; Y57-Y233 AromaticContact CD2-CZ 3.64Å; Y57-Y233 AromaticContact CE2-CD2 3.79Å; Y57-Y233 HydrophobicContact CE2-CD2 3.79Å; Y57-Y233 AromaticContact CE2-CE2 3.56Å; Y57-Y233 HydrophobicContact CE2-CE2 3.56Å; Y57-Y233 HydrophobicContact CE2-CG 4.49Å; Y57-Y233 HydrophobicContact CG-CE2 4.33Å; Y57-Y233 PolarHBondContact N-OH 3.43Å; Y57-V266 HydrophobicContact CE1-CG1 4.1Å; Y57-V266 HydrophobicContact CE1-CG2 4.41Å; Y57-V266 HydrophobicContact CE2-CG2 4.35Å; Y57-P271 HydrophobicContact CE1-CG 4.19Å; Y57-F274 HydrophobicContact CD1-CZ 4.06Å; Y57-F274 HydrophobicContact CD2-CZ 4.43Å; Y57-F274 HydrophobicContact CE1-CE1 4.45Å; Y57-F274 AromaticContact CE1-CE2 3.93Å; Y57-F274 HydrophobicContact CE1-CE2 3.93Å; Y57-F274 AromaticContact CE1-CZ 3.43Å; Y57-F274 HydrophobicContact CE1-CZ 3.43Å; Y57-F274 VanDerWaalsContact CE1-CZ 3.43Å; Y57-F274 HydrophobicContact CE2-CE2 4Å; Y57-F274 AromaticContact CE2-CZ 3.87Å; Y57-F274 HydrophobicContact CE2-CZ 3.87Å; Y57-F274 AromaticContact CZ-CE2 3.42Å; Y57-F274 VanDerWaalsContact CZ-CE2 3.42Å; Y57-F274 AromaticContact CZ-CZ 3.34Å; Y57-F274 WeakPolarHBondContact OH-CE2 3.42Å
58Y97.3Very high98Very high51 Ų5119.1 Ų19.120%0.210%0.101CC..  trans-12837.6-168-53.4-83.7000112.2G26 F28 V60 E61 T62 P264G26-Y58 CarbonylContact O-C 3.57Å; G26-Y58 WeakPolarHBondContact O-CA 3.35Å; G26-Y58 WeakPolarHBondContact O-CB 3.35Å; G26-Y58 PolarHBondContact O-N 3.11Å; F28-Y58 VanDerWaalsContact CB-CB 3.45Å; F28-Y58 HydrophobicContact CB-CG 4.17Å; Y58-V60 VanDerWaalsContact C-N 3.28Å; Y58-V60 PolarHBondContact O-N 2.7Å; Y58-E61 WeakPolarHBondContact CA-OE2 3.35Å; Y58-E61 WeakPolarHBondContact CB-OE2 3.23Å; Y58-E61 PolarHBondContact O-N 3.17Å; Y58-T62 WeakPolarHBondContact O-CB 3.36Å; Y58-T62 PolarHBondContact O-N 3.39Å; Y58-T62 PolarHBondContact O-OG1 2.95Å; Y58-T62 VanDerWaalsContact O-OG1 3.08Å; Y58-P264 WeakPolarHBondContact OH-CG 3.21Å
59S98.6Very high98Very high0 Ų020.5 Ų20.50%011%0.108CC..Hα-helixtrans-60-40.3179.8-50.60000111.6D54 E61 T62 V63 F95 E98D54-S59 PolarHBondContact N-OG 3.07Å; D54-S59 VanDerWaalsContact N-OG 3.09Å; S59-E61 PolarHBondContact O-N 3.49Å; S59-T62 PolarHBondContact O-N 3.34Å; S59-V63 VanDerWaalsContact O-CG1 3.23Å; S59-V63 WeakPolarHBondContact O-CG1 3.48Å; S59-V63 PolarHBondContact O-N 3.38Å; S59-F95 VanDerWaalsContact CB-CD2 3.48Å; S59-E98 WeakPolarHBondContact CA-OE2 3.4Å; S59-E98 WeakPolarHBondContact CB-OE2 3.5Å; S59-E98 PolarHBondContact N-OE1 3.12Å; S59-E98 VanDerWaalsContact N-OE1 3.1Å; S59-E98 PolarHBondContact N-OE2 3.11Å; S59-E98 PolarHBondContact OG-OE2 3.32Å
60V98.5Very high98Very high2 Ų220.6 Ų20.61%0.01211%0.109CC..Hα-helixtrans-59.4-47.7178.1171.10000110.6Y58 T64 F95 E98 K102 Y103Y58-V60 VanDerWaalsContact C-N 3.28Å; Y58-V60 PolarHBondContact O-N 2.7Å; V60-T64 WeakPolarHBondContact O-CB 3.31Å; V60-T64 PolarHBondContact O-N 2.87Å; V60-T64 PolarHBondContact O-OG1 3.29Å; V60-F95 HydrophobicContact CG2-CD2 4.41Å; V60-F95 HydrophobicContact CG2-CE2 3.79Å; V60-E98 WeakPolarHBondContact CB-OE1 3.47Å; V60-E98 HydrophobicContact CG2-CG 4.12Å; V60-E98 VanDerWaalsContact CG2-OE1 3.31Å; V60-E98 WeakPolarHBondContact CG2-OE1 3.48Å; V60-E98 PolarHBondContact N-OE1 3.49Å; V60-K102 HydrophobicContact CB-CD 4.43Å; V60-K102 HydrophobicContact CG2-CD 4.34Å; V60-Y103 HydrophobicContact CG1-CE2 3.86Å; V60-Y103 VanDerWaalsContact CG1-OH 3.29Å; V60-Y103 WeakPolarHBondContact CG1-OH 3.43Å; V60-Y103 HydrophobicContact CG2-CE2 4.22Å
61E98.6Very high98Very high62 Ų6223.3 Ų23.329%0.2913%0.125SC..Hα-helixtrans-66.3-44.4179.3-6678.5-175.600111.2F28 Y58 S59 T64 L65 K102F28-E61 HydrophobicContact CB-CB 4.26Å; F28-E61 HydrophobicContact CD1-CB 4.24Å; F28-E61 HydrophobicContact CD2-CB 3.56Å; F28-E61 HydrophobicContact CE2-CB 3.87Å; F28-E61 HydrophobicContact CG-CB 3.75Å; F28-E61 HydrophobicContact CZ-CB 4.34Å; Y58-E61 WeakPolarHBondContact CA-OE2 3.35Å; Y58-E61 WeakPolarHBondContact CB-OE2 3.23Å; Y58-E61 PolarHBondContact O-N 3.17Å; S59-E61 PolarHBondContact O-N 3.49Å; E61-T64 PolarHBondContact O-N 2.92Å; E61-L65 WeakPolarHBondContact O-CB 3.23Å; E61-L65 PolarHBondContact O-N 2.96Å; E61-K102 IonicContact OE1-NZ 2.86Å; E61-K102 PolarHBondContact OE1-NZ 3.13Å; E61-K102 IonicContact OE2-NZ 3.67Å; E61-K102 PolarHBondContact OE2-NZ 3.27Å
62T98.8Very high97.9Very high0 Ų031.7 Ų31.70%016%0.157CC..Hα-helixtrans-56.2-58.1177.7-66.70000111.6V24 F28 L31 Y52 Y58 S59 T64 L65 L66V24-T62 HydrophobicContact CB-CG2 4.26Å; V24-T62 HydrophobicContact CG1-CG2 3.59Å; F28-T62 WeakPolarHBondContact CA-OG1 3.39Å; F28-T62 PolarHBondContact N-OG1 3.13Å; L31-T62 HydrophobicContact CD2-CG2 3.95Å; Y52-T62 VanDerWaalsContact O-CG2 3.26Å; Y52-T62 WeakPolarHBondContact O-CG2 3.33Å; Y58-T62 WeakPolarHBondContact O-CB 3.36Å; Y58-T62 PolarHBondContact O-N 3.39Å; Y58-T62 PolarHBondContact O-OG1 2.95Å; Y58-T62 VanDerWaalsContact O-OG1 3.08Å; S59-T62 PolarHBondContact O-N 3.34Å; T62-T64 VanDerWaalsContact C-N 3.34Å; T62-T64 PolarHBondContact O-N 3.31Å; T62-L65 PolarHBondContact O-N 2.86Å; T62-L66 HydrophobicContact CG2-CD1 4.36Å; T62-L66 WeakPolarHBondContact O-CG 3.5Å; T62-L66 PolarHBondContact O-N 3.27Å; T62-L66 VanDerWaalsContact O-N 3.12Å
63V98.8Very high97.9Very high2 Ų234.2 Ų34.21%0.01217%0.166CC..Hα-helixtrans-68.5-35.1-176.674.20000111.8V53 S59 L65 L66 V67 F95 F112 F116V53-V63 HydrophobicContact CG1-CB 3.87Å; V53-V63 HydrophobicContact CG1-CG1 4.1Å; V53-V63 HydrophobicContact CG1-CG2 4.27Å; S59-V63 VanDerWaalsContact O-CG1 3.23Å; S59-V63 WeakPolarHBondContact O-CG1 3.48Å; S59-V63 PolarHBondContact O-N 3.38Å; V63-L65 PolarHBondContact O-N 3Å; V63-L66 PolarHBondContact O-N 3.21Å; V63-V67 HydrophobicContact CG2-CG2 4.25Å; V63-V67 WeakPolarHBondContact O-CB 3.43Å; V63-V67 VanDerWaalsContact O-CG2 3.22Å; V63-V67 WeakPolarHBondContact O-CG2 3.35Å; V63-V67 PolarHBondContact O-N 3.05Å; V63-F95 HydrophobicContact CG1-CE2 4.38Å; V63-F95 HydrophobicContact CG1-CZ 4.19Å; V63-F112 HydrophobicContact CB-CE1 4.47Å; V63-F112 HydrophobicContact CG1-CD1 3.86Å; V63-F112 HydrophobicContact CG1-CD2 4.34Å; V63-F112 HydrophobicContact CG1-CE1 3.58Å; V63-F112 HydrophobicContact CG1-CE2 4.05Å; V63-F112 HydrophobicContact CG1-CG 4.26Å; V63-F112 HydrophobicContact CG1-CZ 3.68Å; V63-F112 HydrophobicContact CG2-CD1 4.11Å; V63-F112 HydrophobicContact CG2-CE1 4.17Å; V63-F116 HydrophobicContact CG2-CE1 3.73Å; V63-F116 HydrophobicContact CG2-CZ 4.05Å
64T98.8Very high97.7Very high63 Ų6340.7 Ų40.739%0.38719%0.191SC..Hα-helixtrans-61.8-45175.7-62.20000111.1V60 E61 T62 A68 F112V60-T64 WeakPolarHBondContact O-CB 3.31Å; V60-T64 PolarHBondContact O-N 2.87Å; V60-T64 PolarHBondContact O-OG1 3.29Å; E61-T64 PolarHBondContact O-N 2.92Å; T62-T64 VanDerWaalsContact C-N 3.34Å; T62-T64 PolarHBondContact O-N 3.31Å; T64-A68 VanDerWaalsContact O-CB 3.24Å; T64-A68 WeakPolarHBondContact O-CB 3.24Å; T64-A68 PolarHBondContact O-N 3.34Å; T64-F112 WeakPolarHBondContact OG1-CZ 3.24Å
65L98.7Very high97.5Very high45 Ų4548.8 Ų48.824%0.23623%0.229CC..Hα-helixtrans-63-48.6179177.360.3000111.2F28 L31 M32 F35 E61 T62 V63 V67 A68 L69F28-L65 HydrophobicContact CE2-CB 4.26Å; F28-L65 HydrophobicContact CE2-CD2 3.84Å; L31-L65 HydrophobicContact CD2-CD2 4.12Å; M32-L65 HydrophobicContact SD-CD2 3.69Å; F35-L65 HydrophobicContact CD2-CD2 4.45Å; F35-L65 HydrophobicContact CE2-CD2 3.97Å; E61-L65 WeakPolarHBondContact O-CB 3.23Å; E61-L65 PolarHBondContact O-N 2.96Å; T62-L65 PolarHBondContact O-N 2.86Å; V63-L65 PolarHBondContact O-N 3Å; L65-V67 PolarHBondContact O-N 2.98Å; L65-A68 PolarHBondContact O-N 3.14Å; L65-L69 HydrophobicContact CD1-CD1 4.07Å; L65-L69 HydrophobicContact CD1-CG 4.08Å; L65-L69 HydrophobicContact CG-CD1 4.05Å; L65-L69 HydrophobicContact CG-CG 4.46Å; L65-L69 WeakPolarHBondContact O-CB 3.44Å; L65-L69 WeakPolarHBondContact O-CG 3.31Å; L65-L69 PolarHBondContact O-N 2.94Å
66L98.7Very high97.6Very high1 Ų152.3 Ų52.31%0.00524%0.242CC..Hα-helixtrans-61.4-43.6179.6-68.2177.6000112L31 F35 F48 Y52 T62 V63 L69 K70 I79L31-L66 HydrophobicContact CD1-CD2 4.35Å; L31-L66 HydrophobicContact CD2-CD2 4.15Å; L31-L66 HydrophobicContact CD2-CG 4.1Å; F35-L66 HydrophobicContact CZ-CD2 4.13Å; F48-L66 HydrophobicContact CD1-CD2 4.32Å; F48-L66 HydrophobicContact CD2-CD2 4.04Å; F48-L66 HydrophobicContact CE1-CD2 4.02Å; F48-L66 HydrophobicContact CE2-CD2 3.7Å; F48-L66 HydrophobicContact CG-CD2 4.35Å; F48-L66 HydrophobicContact CZ-CD2 3.71Å; Y52-L66 HydrophobicContact CD1-CD1 3.25Å; Y52-L66 HydrophobicContact CE1-CD1 3.73Å; Y52-L66 HydrophobicContact CG-CD1 3.84Å; T62-L66 HydrophobicContact CG2-CD1 4.36Å; T62-L66 WeakPolarHBondContact O-CG 3.5Å; T62-L66 PolarHBondContact O-N 3.27Å; T62-L66 VanDerWaalsContact O-N 3.12Å; V63-L66 PolarHBondContact O-N 3.21Å; L66-L69 PolarHBondContact O-N 3.46Å; L66-K70 WeakPolarHBondContact O-CB 3.42Å; L66-K70 PolarHBondContact O-N 3.24Å; L66-I79 HydrophobicContact CB-CG2 4.39Å
67V98.7Very high97.8Very high23 Ų2352.2 Ų52.214%0.13924%0.241CC..Hα-helixtrans-65.4-40.5176.1171.80000111.5A1 V63 L65 K70 V71 I79 L115A1-V67 HydrophobicContact CB-CG1 3.62Å; V63-V67 HydrophobicContact CG2-CG2 4.25Å; V63-V67 WeakPolarHBondContact O-CB 3.43Å; V63-V67 VanDerWaalsContact O-CG2 3.22Å; V63-V67 WeakPolarHBondContact O-CG2 3.35Å; V63-V67 PolarHBondContact O-N 3.05Å; L65-V67 PolarHBondContact O-N 2.98Å; V67-K70 PolarHBondContact O-N 2.82Å; V67-V71 VanDerWaalsContact O-CG2 3.31Å; V67-V71 WeakPolarHBondContact O-CG2 3.36Å; V67-V71 PolarHBondContact O-N 2.89Å; V67-I79 HydrophobicContact CG2-CD1 4.39Å; V67-L115 HydrophobicContact CG1-CD2 3.92Å; V67-L115 HydrophobicContact CG2-CD2 3.73Å
68A98.7Very high98Very high54 Ų5450.3 Ų50.345%0.44624%0.235SC..Hα-helixtrans-64.5-42.4176.700000111.8T64 L65 V71 R72T64-A68 VanDerWaalsContact O-CB 3.24Å; T64-A68 WeakPolarHBondContact O-CB 3.24Å; T64-A68 PolarHBondContact O-N 3.34Å; L65-A68 PolarHBondContact O-N 3.14Å; A68-V71 PolarHBondContact O-N 2.87Å; A68-R72 WeakPolarHBondContact O-CB 3.49Å; A68-R72 PolarHBondContact O-N 2.9Å
69L98.4Very high98.1Very high29 Ų2948 Ų4815%0.15223%0.226CC..Hα-helixtrans-63.3-43.7174.4-73.4175000111.3F35 L65 L66 V71 R72 Y73 I77F35-L69 HydrophobicContact CE1-CD1 4.28Å; F35-L69 HydrophobicContact CE2-CD1 3.94Å; F35-L69 HydrophobicContact CZ-CD1 3.58Å; L65-L69 HydrophobicContact CD1-CD1 4.07Å; L65-L69 HydrophobicContact CD1-CG 4.08Å; L65-L69 HydrophobicContact CG-CD1 4.05Å; L65-L69 HydrophobicContact CG-CG 4.46Å; L65-L69 WeakPolarHBondContact O-CB 3.44Å; L65-L69 WeakPolarHBondContact O-CG 3.31Å; L65-L69 PolarHBondContact O-N 2.94Å; L66-L69 PolarHBondContact O-N 3.46Å; L69-V71 VanDerWaalsContact C-N 3.32Å; L69-V71 PolarHBondContact O-N 3.33Å; L69-R72 PolarHBondContact O-N 3.16Å; L69-Y73 HydrophobicContact CD2-CD2 4.02Å; L69-Y73 HydrophobicContact CD2-CE2 3.98Å; L69-Y73 PolarHBondContact O-N 2.92Å; L69-I77 HydrophobicContact CB-CD1 4.49Å; L69-I77 HydrophobicContact CB-CG1 4.1Å; L69-I77 HydrophobicContact CB-CG2 4.44Å
70K98.3Very high98.1Very high2 Ų248 Ų481%0.00923%0.226CC..Hα-helixtrans-57.2-44172.9178.560.8178.6175.20112.2L5 E8 L66 V67 R74 I77 I79L5-K70 HydrophobicContact CD2-CG 4.33Å; E8-K70 WeakPolarHBondContact OE1-CE 3.39Å; E8-K70 IonicContact OE1-NZ 3.59Å; E8-K70 PolarHBondContact OE1-NZ 3.39Å; E8-K70 IonicContact OE2-NZ 3.53Å; L66-K70 WeakPolarHBondContact O-CB 3.42Å; L66-K70 PolarHBondContact O-N 3.24Å; V67-K70 PolarHBondContact O-N 2.82Å; K70-R74 PolarHBondContact NZ-O 3.38Å; K70-R74 VanDerWaalsContact O-CA 3.24Å; K70-R74 WeakPolarHBondContact O-CA 3.25Å; K70-R74 WeakPolarHBondContact O-CG 3.34Å; K70-R74 PolarHBondContact O-N 2.89Å; K70-I77 HydrophobicContact CB-CG2 4.21Å; K70-I77 WeakPolarHBondContact CD-O 3.47Å; K70-I77 WeakPolarHBondContact CE-O 3.32Å; K70-I77 PolarHBondContact NZ-O 3.31Å; K70-I79 HydrophobicContact CB-CD1 3.97Å; K70-I79 HydrophobicContact CB-CG1 4.37Å; K70-I79 HydrophobicContact CD-CG1 4.38Å; K70-I79 HydrophobicContact CG-CD1 4.07Å; K70-I79 HydrophobicContact CG-CG1 4.19Å
71V98.4Very high98.1Very high57 Ų5747.9 Ų47.935%0.34523%0.225SC..Hα-helixtrans-66.2-40.2178.8170.50000111.5A1 I4 V67 A68 L69 R74A1-V71 HydrophobicContact CB-CG2 3.89Å; I4-V71 HydrophobicContact CD1-CB 4.33Å; I4-V71 HydrophobicContact CD1-CG1 4.42Å; I4-V71 HydrophobicContact CD1-CG2 4.08Å; V67-V71 VanDerWaalsContact O-CG2 3.31Å; V67-V71 WeakPolarHBondContact O-CG2 3.36Å; V67-V71 PolarHBondContact O-N 2.89Å; A68-V71 PolarHBondContact O-N 2.87Å; L69-V71 VanDerWaalsContact C-N 3.32Å; L69-V71 PolarHBondContact O-N 3.33Å; V71-R74 WeakPolarHBondContact O-CG 3.26Å; V71-R74 PolarHBondContact O-NE 2.94Å
72R98Very high98.1Very high178 Ų17845 Ų4567%0.67221%0.211SC*.Hα-helixtrans-78.5-39.3-175.9-178.3157.3176.174.11.2113.5A68 L69A68-R72 WeakPolarHBondContact O-CB 3.49Å; A68-R72 PolarHBondContact O-N 2.9Å; L69-R72 PolarHBondContact O-N 3.16Å
73Y97.7Very high98.1Very high56 Ų5645.1 Ų45.122%0.2221%0.212CC..SBendtrans-125.461.8-175.1-52.5-56.8000110.6S41 P42 L69 E75 R76 I77S41-Y73 WeakPolarHBondContact OG-CD2 3.46Å; P42-Y73 HydrophobicContact CB-CD1 3.77Å; P42-Y73 HydrophobicContact CB-CD2 4.44Å; P42-Y73 HydrophobicContact CB-CE1 3.75Å; P42-Y73 HydrophobicContact CB-CE2 4.41Å; P42-Y73 HydrophobicContact CB-CG 4.13Å; P42-Y73 HydrophobicContact CG-CD1 4.41Å; P42-Y73 HydrophobicContact CG-CE1 3.89Å; L69-Y73 HydrophobicContact CD2-CD2 4.02Å; L69-Y73 HydrophobicContact CD2-CE2 3.98Å; L69-Y73 PolarHBondContact O-N 2.92Å; Y73-E75 VanDerWaalsContact C-N 3.28Å; Y73-E75 PolarHBondContact O-N 2.97Å; Y73-E75 VanDerWaalsContact O-N 3.15Å; Y73-R76 PolarHBondContact O-N 3.48Å; Y73-I77 PolarHBondContact O-N 2.74Å
74R95.3Very high98.1Very high136 Ų13645.6 Ų45.651%0.51321%0.214SC..THydrogen-bonded Turntrans-50-43.5-168.9-56.9-178.3-175.2175.8-2.7114.6I4 K70 V71I4-R74 HydrophobicContact CD1-CG 3.97Å; I4-R74 HydrophobicContact CG2-CG 4.41Å; K70-R74 PolarHBondContact NZ-O 3.38Å; K70-R74 VanDerWaalsContact O-CA 3.24Å; K70-R74 WeakPolarHBondContact O-CA 3.25Å; K70-R74 WeakPolarHBondContact O-CG 3.34Å; K70-R74 PolarHBondContact O-N 2.89Å; V71-R74 WeakPolarHBondContact O-CG 3.26Å; V71-R74 PolarHBondContact O-NE 2.94Å
75E94.2Very high98.1Very high171 Ų17142.6 Ų42.680%0.79920%0.196SC*.THydrogen-bonded Turntrans-86.7-7.4-177.3-53.4-55.2137.800113.5Y73Y73-E75 VanDerWaalsContact C-N 3.28Å; Y73-E75 PolarHBondContact O-N 2.97Å; Y73-E75 VanDerWaalsContact O-N 3.15Å
76R96.9Very high98.1Very high115 Ų11540.7 Ų40.743%0.43419%0.186SC..THydrogen-bonded Turntrans-112.9-11.1-176.2-59.6-162.2178.8-98.910.1113.8P42 N45 Y46 Y73P42-R76 WeakPolarHBondContact O-CD 3.33Å; P42-R76 PolarHBondContact O-NE 2.99Å; N45-R76 CarbonylContact C-O 3.53Å; N45-R76 VanDerWaalsContact CA-O 3.26Å; N45-R76 WeakPolarHBondContact CA-O 3.35Å; N45-R76 WeakPolarHBondContact OD1-CB 3.42Å; N45-R76 VanDerWaalsContact OD1-CD 3.28Å; N45-R76 WeakPolarHBondContact OD1-CD 3.44Å; N45-R76 WeakPolarHBondContact OD1-CG 3.28Å; N45-R76 PolarHBondContact OD1-NH1 2.87Å; Y46-R76 PolarHBondContact N-O 2.87Å; Y73-R76 PolarHBondContact O-N 3.48Å
77I98.3Very high98.1Very high0 Ų043.5 Ų43.50%020%0.197CC..EExtended strand (participates in β ladder)trans-124.9117.7178.3-58.8-67.2000107Y46 L69 K70 Y73 I79Y46-I77 HydrophobicContact CD2-CD1 4.07Å; Y46-I77 HydrophobicContact CG-CD1 4.38Å; Y46-I77 CarbonylContact O-C 3.54Å; Y46-I77 WeakPolarHBondContact O-CA 2.94Å; L69-I77 HydrophobicContact CB-CD1 4.49Å; L69-I77 HydrophobicContact CB-CG1 4.1Å; L69-I77 HydrophobicContact CB-CG2 4.44Å; K70-I77 HydrophobicContact CB-CG2 4.21Å; K70-I77 WeakPolarHBondContact CD-O 3.47Å; K70-I77 WeakPolarHBondContact CE-O 3.32Å; K70-I77 PolarHBondContact NZ-O 3.31Å; Y73-I77 PolarHBondContact O-N 2.74Å; I77-I79 HydrophobicContact CG2-CG2 4.12Å
78T98.8Very high98Very high9 Ų946.4 Ų46.46%0.05521%0.209CC..EExtended strand (participates in β ladder)trans-112131.7171-58.70000108.1Q12 V14 Y46 L47 F48 L80Q12-T78 HydrophobicContact CB-CG2 4.4Å; Q12-T78 HydrophobicContact CG-CG2 3.93Å; V14-T78 HydrophobicContact CG2-CG2 4.12Å; Y46-T78 PolarHBondContact O-N 3.43Å; L47-T78 WeakPolarHBondContact CA-O 3.31Å; L47-T78 HydrophobicContact CD1-CG2 3.43Å; L47-T78 VanDerWaalsContact CD1-CG2 3.43Å; F48-T78 PolarHBondContact N-O 3.07Å; T78-L80 HydrophobicContact CG2-CD2 4.12Å
79I98.8Very high97.9Very high3 Ų345 Ų452%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-127.6115.4179.550.9172.7000107.8L5 F48 Y52 L66 V67 K70 I77 L119L5-I79 HydrophobicContact CD2-CG1 4.47Å; F48-I79 HydrophobicContact CB-CG2 4.34Å; F48-I79 HydrophobicContact CD2-CG2 4.32Å; Y52-I79 WeakPolarHBondContact OH-CA 3.25Å; Y52-I79 WeakPolarHBondContact OH-CB 3.49Å; L66-I79 HydrophobicContact CB-CG2 4.39Å; V67-I79 HydrophobicContact CG2-CD1 4.39Å; K70-I79 HydrophobicContact CB-CD1 3.97Å; K70-I79 HydrophobicContact CB-CG1 4.37Å; K70-I79 HydrophobicContact CD-CG1 4.38Å; K70-I79 HydrophobicContact CG-CD1 4.07Å; K70-I79 HydrophobicContact CG-CG1 4.19Å; I77-I79 HydrophobicContact CG2-CG2 4.12Å; I79-L119 HydrophobicContact CB-CD2 4.43Å; I79-L119 HydrophobicContact CD1-CD2 3.73Å; I79-L119 HydrophobicContact CG1-CD2 3.79Å
80L98.9Very high97.9Very high0 Ų043.6 Ų43.60%019%0.186CC..  trans-88.1168.2177.8-56.7-174.5000111.1L47 F48 M49 Y52 T78 P120 T122 A123L47-L80 HydrophobicContact CD1-CD1 4.07Å; L47-L80 HydrophobicContact CD1-CD2 4.28Å; L47-L80 HydrophobicContact CD1-CG 3.91Å; F48-L80 WeakPolarHBondContact O-CB 3.33Å; F48-L80 WeakPolarHBondContact O-CG 3.43Å; F48-L80 PolarHBondContact O-N 2.8Å; M49-L80 HydrophobicContact CG-CD1 4.42Å; Y52-L80 VanDerWaalsContact CE2-O 3.26Å; Y52-L80 WeakPolarHBondContact CE2-O 3.48Å; Y52-L80 VanDerWaalsContact CZ-O 3.27Å; Y52-L80 PolarHBondContact OH-N 2.81Å; Y52-L80 PolarHBondContact OH-O 2.85Å; T78-L80 HydrophobicContact CG2-CD2 4.12Å; L80-P120 CarbonylContact C-O 3.56Å; L80-P120 WeakPolarHBondContact CA-O 3.42Å; L80-P120 HydrophobicContact CD2-CB 3.88Å; L80-T122 WeakPolarHBondContact CD2-O 3.5Å; L80-A123 HydrophobicContact CD1-CB 4.12Å; L80-A123 HydrophobicContact CD2-CB 4.08Å
81R98.9Very high97.8Very high0 Ų048.4 Ų48.40%021%0.209CC..  trans-84.4126.9172.8-160.4173.4-173.8168.16.1109.3E85 F116 D117 L119 P120 L121 R151 Q153 L165R81-E85 HydrophobicContact CG-CB 3.89Å; R81-E85 PolarHBondContact NE-O 2.82Å; R81-E85 PolarHBondContact NH2-O 3.05Å; R81-F116 PolarHBondContact NE-O 3.16Å; R81-D117 IonicContact CZ-OD1 3.56Å; R81-D117 IonicContact NH1-OD1 3.44Å; R81-D117 IonicContact NH2-OD1 3.88Å; R81-D117 PolarHBondContact NH2-OD1 2.92Å; R81-L119 HydrophobicContact CB-CB 3.72Å; R81-L119 HydrophobicContact CB-CD1 4.4Å; R81-L119 HydrophobicContact CG-CB 4.15Å; R81-L119 HydrophobicContact CG-CD1 4.31Å; R81-P120 PolarHBondContact N-O 3.11Å; R81-L121 HydrophobicContact CB-CD2 4.38Å; R81-R151 PolarHBondContact NH1-O 3.5Å; R81-Q153 PolarHBondContact NH1-O 2.92Å; R81-Q153 PolarHBondContact NH2-O 3.49Å; R81-L165 HydrophobicContact CB-CD2 4.42Å; R81-L165 HydrophobicContact CG-CD1 4.45Å; R81-L165 WeakPolarHBondContact O-CD2 3.38Å
82G98.9Very high97.7Very high0 Ų049.8 Ų49.80%022%0.217CC..  trans-94.4175.9163.300000111.9D51 H84 E85 H133D51-G82 WeakPolarHBondContact OD1-CA 3.14Å; G82-H84 PolarHBondContact O-N 2.92Å; G82-E85 WeakPolarHBondContact CA-OE2 3.41Å; G82-E85 PolarHBondContact N-OE2 3.44Å; G82-E85 PolarHBondContact O-N 2.82Å; G82-H133 VanDerWaalsContact CA-CD2 3.44Å; G82-H133 WeakPolarHBondContact CA-CD2 3.15Å; G82-H133 VanDerWaalsContact CA-CG 3.47Å
83N98.7Very high97.6Very high3 Ų344.9 Ų44.92%0.01620%0.199CC..THydrogen-bonded Turntrans-70.7-24.8177.865.3-68.1000112.2D51 E85 S86 H133 L165 W166 H207D51-N83 PolarHBondContact OD1-N 3.11Å; D51-N83 PolarHBondContact OD1-OD1 3.48Å; D51-N83 PolarHBondContact OD2-OD1 2.87Å; N83-E85 VanDerWaalsContact C-N 3.3Å; N83-S86 PolarHBondContact O-OG 3.04Å; N83-H133 PolarHBondContact N-CD2 2.9Å; N83-H133 PolarHBondContact OD1-CD2 3.48Å; N83-H133 PolarHBondContact OD1-NE2 2.76Å; N83-L165 HydrophobicContact CB-CB 4.16Å; N83-W166 HydrophobicContact CB-CD2 3.93Å; N83-W166 VanDerWaalsContact CB-CE2 3.48Å; N83-W166 HydrophobicContact CB-CG 4.33Å; N83-W166 HydrophobicContact CB-CH2 4.38Å; N83-W166 HydrophobicContact CB-CZ2 3.73Å; N83-W166 WeakPolarHBondContact ND2-CH2 3.39Å; N83-W166 WeakPolarHBondContact ND2-CZ2 3.37Å; N83-W166 WeakPolarHBondContact ND2-CZ3 3.17Å; N83-H207 PolarHBondContact OD1-CE1 2.98Å; N83-H207 VanDerWaalsContact OD1-CE1 3.29Å; N83-H207 PolarHBondContact OD1-ND1 2.94Å
84H98.7Very high97.5Very high12 Ų1242.3 Ų42.36%0.05619%0.19CC..THydrogen-bonded Turntrans-75.5-14.5173.7-78.2-100.1000113.8H25 D51 V53 D54 G82 S86 I89 T90H25-H84 AromaticContact CE1-CD2 3.52Å; H25-H84 AromaticContact CE1-CE1 3.88Å; H25-H84 AromaticContact CE1-CG 3.76Å; H25-H84 AromaticContact CE1-ND1 3.99Å; H25-H84 AromaticContact CE1-NE2 3.61Å; D51-H84 HydrophobicContact CB-CB 4.42Å; D51-H84 WeakPolarHBondContact OD1-CB 3.44Å; D51-H84 IonicContact OD1-CD2 3.6Å; D51-H84 IonicContact OD1-CG 2.68Å; D51-H84 PolarHBondContact OD1-N 3.43Å; D51-H84 IonicContact OD2-CD2 2.74Å; D51-H84 PolarHBondContact OD2-CD2 3.01Å; D51-H84 VanDerWaalsContact OD2-CD2 3.25Å; V53-H84 HydrophobicContact CG2-CB 4.35Å; D54-H84 VanDerWaalsContact CB-ND1 3.29Å; D54-H84 WeakPolarHBondContact CB-ND1 3.46Å; D54-H84 IonicContact OD2-CE1 3.05Å; D54-H84 IonicContact OD2-CG 3.7Å; D54-H84 IonicContact OD2-ND1 2.66Å; D54-H84 PolarHBondContact OD2-ND1 3Å; G82-H84 PolarHBondContact O-N 2.92Å; H84-S86 PolarHBondContact O-N 2.92Å; H84-I89 HydrophobicContact CB-CG2 4.25Å; H84-I89 VanDerWaalsContact CE1-CG2 3.45Å; H84-I89 WeakPolarHBondContact CE1-CG2 3.26Å; H84-I89 WeakPolarHBondContact ND1-CG2 3.25Å; H84-T90 WeakPolarHBondContact O-CG2 3.49Å
85E98.8Very high97.6Very high0 Ų035.8 Ų35.80%017%0.165CC..SBendtrans-8154.1171.8-77.473-133.100111.8D51 Y52 R81 G82 N83 F116 L119D51-E85 PolarHBondContact N-OE2 3.29Å; Y52-E85 VanDerWaalsContact CD2-CD 3.43Å; Y52-E85 HydrophobicContact CD2-CG 3.81Å; Y52-E85 VanDerWaalsContact CD2-OE1 3.28Å; Y52-E85 WeakPolarHBondContact CD2-OE1 3.38Å; Y52-E85 HydrophobicContact CE2-CG 4.16Å; Y52-E85 PolarHBondContact N-OE1 2.82Å; R81-E85 HydrophobicContact CG-CB 3.89Å; R81-E85 PolarHBondContact NE-O 2.82Å; R81-E85 PolarHBondContact NH2-O 3.05Å; G82-E85 WeakPolarHBondContact CA-OE2 3.41Å; G82-E85 PolarHBondContact N-OE2 3.44Å; G82-E85 PolarHBondContact O-N 2.82Å; N83-E85 VanDerWaalsContact C-N 3.3Å; E85-F116 HydrophobicContact CB-CB 3.91Å; E85-F116 HydrophobicContact CB-CD1 4.12Å; E85-F116 HydrophobicContact CB-CD2 3.83Å; E85-F116 HydrophobicContact CB-CE2 4.36Å; E85-F116 HydrophobicContact CB-CG 3.7Å; E85-F116 HydrophobicContact CG-CD1 3.79Å; E85-F116 HydrophobicContact CG-CD2 4.03Å; E85-F116 HydrophobicContact CG-CE1 3.89Å; E85-F116 HydrophobicContact CG-CE2 4.12Å; E85-F116 HydrophobicContact CG-CG 3.87Å; E85-F116 HydrophobicContact CG-CZ 4.06Å; E85-F116 WeakPolarHBondContact O-CB 3.37Å; E85-L119 HydrophobicContact CB-CD1 4.04Å; E85-L119 HydrophobicContact CG-CD1 3.81Å
86S98.3Very high97.8Very high5 Ų530.8 Ų30.84%0.03514%0.139CC..SBendtrans-141.5149.5-178.465.60000111.4N83 H84 Q88 I89 T90 E154N83-S86 PolarHBondContact O-OG 3.04Å; H84-S86 PolarHBondContact O-N 2.92Å; S86-Q88 VanDerWaalsContact C-N 3.33Å; S86-Q88 PolarHBondContact O-N 2.72Å; S86-I89 VanDerWaalsContact OG-CB 3.29Å; S86-I89 WeakPolarHBondContact OG-CB 3.21Å; S86-I89 WeakPolarHBondContact OG-CG1 3.04Å; S86-T90 WeakPolarHBondContact O-CB 3.29Å; S86-T90 VanDerWaalsContact O-CG2 3.23Å; S86-T90 WeakPolarHBondContact O-CG2 3.44Å; S86-T90 PolarHBondContact O-N 2.85Å; S86-T90 VanDerWaalsContact O-N 3.14Å; S86-T90 PolarHBondContact O-OG1 3.4Å; S86-E154 WeakPolarHBondContact CB-OE1 3.22Å
87R98.3Very high97.8Very high60 Ų6029.2 Ų29.223%0.22614%0.14CC..Hα-helixtrans-64.6-40.2-179.8-66.9168.3-17687-2.8111.1T90 Q91 W109 T113 D114 D117 E154R87-T90 PolarHBondContact O-OG1 3.13Å; R87-Q91 VanDerWaalsContact O-CG 3.29Å; R87-Q91 WeakPolarHBondContact O-CG 3.4Å; R87-Q91 PolarHBondContact O-N 3.21Å; R87-W109 HydrophobicContact CB-CH2 4.49Å; R87-W109 HydrophobicContact CB-CZ2 4.04Å; R87-W109 HydrophobicContact CG-CZ2 4.2Å; R87-T113 HydrophobicContact CG-CG2 3.87Å; R87-D114 IonicContact CZ-OD1 2.83Å; R87-D114 IonicContact NH2-OD1 3.71Å; R87-D114 PolarHBondContact NH2-OD1 3.38Å; R87-D117 IonicContact CZ-OD2 3.35Å; R87-D117 VanDerWaalsContact CZ-OD2 3.29Å; R87-D117 IonicContact NH1-OD1 3.06Å; R87-D117 PolarHBondContact NH1-OD1 3.25Å; R87-D117 IonicContact NH1-OD2 3.8Å; R87-D117 PolarHBondContact NH1-OD2 2.84Å; R87-D117 IonicContact NH2-OD2 3.28Å; R87-D117 PolarHBondContact NH2-OD2 3.38Å; R87-E154 WeakPolarHBondContact CB-OE2 3.26Å; R87-E154 WeakPolarHBondContact CD-OE2 3.47Å; R87-E154 VanDerWaalsContact CG-OE2 3.24Å; R87-E154 WeakPolarHBondContact CG-OE2 3.47Å; R87-E154 IonicContact CZ-OE2 3.74Å; R87-E154 PolarHBondContact N-OE1 3.38Å; R87-E154 PolarHBondContact N-OE2 2.78Å; R87-E154 IonicContact NE-OE2 3.96Å; R87-E154 IonicContact NH1-OE2 2.77Å; R87-E154 PolarHBondContact NH1-OE2 3.22Å
88Q96.3Very high97.8Very high84 Ų8429.5 Ų29.539%0.39314%0.141SC..Hα-helixtrans-64.5-44.3-176.7-63.5-175.2-2.800112.2S86 E154 H157S86-Q88 VanDerWaalsContact C-N 3.33Å; S86-Q88 PolarHBondContact O-N 2.72Å; Q88-E154 PolarHBondContact N-OE1 3.26Å; Q88-H157 VanDerWaalsContact CD-CE1 3.45Å; Q88-H157 PolarHBondContact NE2-CE1 2.89Å; Q88-H157 PolarHBondContact NE2-NE2 3.08Å; Q88-H157 VanDerWaalsContact NE2-NE2 3.1Å; Q88-H157 PolarHBondContact OE1-CE1 3.24Å
89I97.8Very high97.8Very high24 Ų2429 Ų2912%0.12314%0.138CC..Hα-helixtrans-74.6-45.1-177.3-59-58.3000110.6H84 S86 Q91 V92 Y93 W166H84-I89 HydrophobicContact CB-CG2 4.25Å; H84-I89 VanDerWaalsContact CE1-CG2 3.45Å; H84-I89 WeakPolarHBondContact CE1-CG2 3.26Å; H84-I89 WeakPolarHBondContact ND1-CG2 3.25Å; S86-I89 VanDerWaalsContact OG-CB 3.29Å; S86-I89 WeakPolarHBondContact OG-CB 3.21Å; S86-I89 WeakPolarHBondContact OG-CG1 3.04Å; I89-Q91 PolarHBondContact O-N 3.5Å; I89-Q91 VanDerWaalsContact O-N 3.14Å; I89-V92 PolarHBondContact O-N 2.72Å; I89-Y93 HydrophobicContact CB-CD2 4.41Å; I89-Y93 HydrophobicContact CD1-CE2 4.25Å; I89-Y93 HydrophobicContact CG2-CD2 3.52Å; I89-Y93 HydrophobicContact CG2-CE2 4.07Å; I89-Y93 HydrophobicContact CG2-CG 4.45Å; I89-Y93 WeakPolarHBondContact O-CD2 3.18Å; I89-Y93 PolarHBondContact O-N 2.74Å; I89-W166 HydrophobicContact CD1-CH2 3.83Å; I89-W166 HydrophobicContact CD1-CZ2 3.7Å; I89-W166 HydrophobicContact CG1-CH2 4.42Å; I89-W166 HydrophobicContact CG1-CZ2 3.96Å
90T98.1Very high97.7Very high0 Ų031.7 Ų31.70%015%0.152CC..Hα-helixtrans-64.6-21.8-178.653.30000114.8V53 D54 H84 S86 R87 V92 F95 Y96 W109 F116V53-T90 HydrophobicContact CG2-CG2 3.77Å; D54-T90 WeakPolarHBondContact OD2-CA 3.49Å; H84-T90 WeakPolarHBondContact O-CG2 3.49Å; S86-T90 WeakPolarHBondContact O-CB 3.29Å; S86-T90 VanDerWaalsContact O-CG2 3.23Å; S86-T90 WeakPolarHBondContact O-CG2 3.44Å; S86-T90 PolarHBondContact O-N 2.85Å; S86-T90 VanDerWaalsContact O-N 3.14Å; S86-T90 PolarHBondContact O-OG1 3.4Å; R87-T90 PolarHBondContact O-OG1 3.13Å; T90-V92 VanDerWaalsContact C-N 3.26Å; T90-F95 HydrophobicContact CG2-CB 4.05Å; T90-F95 HydrophobicContact CG2-CD1 3.68Å; T90-F95 HydrophobicContact CG2-CG 4.32Å; T90-Y96 WeakPolarHBondContact O-CB 3.16Å; T90-Y96 PolarHBondContact O-N 3.38Å; T90-W109 PolarHBondContact OG1-NE1 2.81Å; T90-F116 HydrophobicContact CG2-CE2 4.47Å
91Q96.5Very high97.6Very high104 Ų10439.6 Ų39.649%0.48618%0.182SC..THydrogen-bonded Turntrans-70.5-22.5172.4-81.2-176.6-24.500113.5R87 I89 Y96 W109R87-Q91 VanDerWaalsContact O-CG 3.29Å; R87-Q91 WeakPolarHBondContact O-CG 3.4Å; R87-Q91 PolarHBondContact O-N 3.21Å; I89-Q91 PolarHBondContact O-N 3.5Å; I89-Q91 VanDerWaalsContact O-N 3.14Å; Q91-Y96 HydrophobicContact CG-CG 4.5Å; Q91-W109 HydrophobicContact CG-CH2 4.27Å; Q91-W109 HydrophobicContact CG-CZ2 3.72Å
92V95.7Very high97.5Very high86 Ų8642.6 Ų42.652%0.52120%0.195SC..THydrogen-bonded Turntrans-106.9-37.6-172.4-179.70000111.5I89 T90I89-V92 PolarHBondContact O-N 2.72Å; T90-V92 VanDerWaalsContact C-N 3.26Å
93Y95.6Very high97.5Very high74 Ų7447.8 Ų47.829%0.2922%0.215SC..SBendtrans-103.314.9-165.7-62.7-77.3000115.6D54 R55 I89 Y273D54-Y93 WeakPolarHBondContact CA-O 3.44Å; D54-Y93 VanDerWaalsContact CB-O 3.31Å; D54-Y93 WeakPolarHBondContact CB-O 3.19Å; D54-Y93 VanDerWaalsContact OD1-C 3.24Å; R55-Y93 PolarHBondContact N-O 3.34Å; I89-Y93 HydrophobicContact CB-CD2 4.41Å; I89-Y93 HydrophobicContact CD1-CE2 4.25Å; I89-Y93 HydrophobicContact CG2-CD2 3.52Å; I89-Y93 HydrophobicContact CG2-CE2 4.07Å; I89-Y93 HydrophobicContact CG2-CG 4.45Å; I89-Y93 WeakPolarHBondContact O-CD2 3.18Å; I89-Y93 PolarHBondContact O-N 2.74Å; Y93-Y273 WeakPolarHBondContact O-CD2 3.33Å
94G94.9Very high97.4Very high2 Ų251 Ų512%0.02125%0.249CC..SBendtrans117.9-21.1159.800000116D54 Y96 D97 E98D54-G94 PolarHBondContact OD1-N 3.12Å; G94-Y96 PolarHBondContact O-N 3.19Å; G94-D97 PolarHBondContact O-N 3.14Å; G94-E98 WeakPolarHBondContact O-CB 3.48Å; G94-E98 PolarHBondContact O-N 3.28Å
95F98.4Very high97.3Very high0 Ų053.4 Ų53.40%026%0.262CS..Hα-helixtrans-66.7-38.6-175.9-178.3-132.1000113.3V53 D54 S59 V60 V63 T90 E98 C99 W109 F112 F116V53-F95 HydrophobicContact CB-CB 4.12Å; V53-F95 HydrophobicContact CB-CD1 4.18Å; V53-F95 HydrophobicContact CB-CD2 4.12Å; V53-F95 HydrophobicContact CB-CG 3.89Å; V53-F95 HydrophobicContact CG1-CD1 4.22Å; V53-F95 HydrophobicContact CG1-CD2 4.08Å; V53-F95 HydrophobicContact CG1-CE1 4.17Å; V53-F95 HydrophobicContact CG1-CE2 3.99Å; V53-F95 HydrophobicContact CG1-CG 4.16Å; V53-F95 HydrophobicContact CG1-CZ 4.03Å; V53-F95 HydrophobicContact CG2-CB 4.34Å; V53-F95 HydrophobicContact CG2-CD1 4.16Å; V53-F95 HydrophobicContact CG2-CG 4.26Å; D54-F95 WeakPolarHBondContact OD1-CB 3.12Å; D54-F95 PolarHBondContact OD1-N 3.02Å; S59-F95 VanDerWaalsContact CB-CD2 3.48Å; V60-F95 HydrophobicContact CG2-CD2 4.41Å; V60-F95 HydrophobicContact CG2-CE2 3.79Å; V63-F95 HydrophobicContact CG1-CE2 4.38Å; V63-F95 HydrophobicContact CG1-CZ 4.19Å; T90-F95 HydrophobicContact CG2-CB 4.05Å; T90-F95 HydrophobicContact CG2-CD1 3.68Å; T90-F95 HydrophobicContact CG2-CG 4.32Å; F95-E98 PolarHBondContact O-N 2.84Å; F95-C99 PolarHBondContact O-N 2.82Å; F95-C99 PolarHBondContact O-SG 3.18Å; F95-W109 AromaticContact CD1-CD1 3.83Å; F95-F112 HydrophobicContact CE1-CB 3.79Å; F95-F112 HydrophobicContact CE1-CD2 4.4Å; F95-F112 HydrophobicContact CE1-CG 4.34Å; F95-F112 HydrophobicContact CZ-CB 3.83Å; F95-F112 AromaticContact CZ-CD2 3.62Å; F95-F112 HydrophobicContact CZ-CD2 3.62Å; F95-F112 HydrophobicContact CZ-CE2 4.4Å; F95-F112 AromaticContact CZ-CG 3.86Å; F95-F112 HydrophobicContact CZ-CG 3.86Å; F95-F116 HydrophobicContact CD1-CE2 4.44Å; F95-F116 AromaticContact CE1-CE2 3.98Å; F95-F116 HydrophobicContact CE1-CE2 3.98Å; F95-F116 HydrophobicContact CE1-CZ 4.03Å
96Y98.2Very high97.2Very high65 Ų6554.1 Ų54.126%0.25527%0.268SS..Hα-helixtrans-59.7-50.1174.1177.7-101.7000111.7T90 Q91 G94 E98 C99 L100 A106 W109T90-Y96 WeakPolarHBondContact O-CB 3.16Å; T90-Y96 PolarHBondContact O-N 3.38Å; Q91-Y96 HydrophobicContact CG-CG 4.5Å; G94-Y96 PolarHBondContact O-N 3.19Å; Y96-E98 VanDerWaalsContact C-N 3.32Å; Y96-E98 PolarHBondContact O-N 2.8Å; Y96-C99 PolarHBondContact O-N 3.38Å; Y96-L100 HydrophobicContact CD1-CD1 3.84Å; Y96-L100 HydrophobicContact CD1-CG 4.43Å; Y96-L100 HydrophobicContact CE1-CD1 3.22Å; Y96-L100 HydrophobicContact CE1-CG 4.02Å; Y96-L100 PolarHBondContact O-N 3.39Å; Y96-A106 HydrophobicContact CE2-CB 3.7Å; Y96-W109 HydrophobicContact CD2-CB 4.31Å; Y96-W109 AromaticContact CD2-CD2 3.5Å; Y96-W109 HydrophobicContact CD2-CD2 3.5Å; Y96-W109 AromaticContact CD2-CE2 3.82Å; Y96-W109 AromaticContact CD2-CE3 3.77Å; Y96-W109 HydrophobicContact CD2-CE3 3.77Å; Y96-W109 AromaticContact CD2-CG 3.72Å; Y96-W109 HydrophobicContact CD2-CG 3.72Å; Y96-W109 HydrophobicContact CD2-CZ2 4.38Å; Y96-W109 HydrophobicContact CD2-CZ3 4.32Å; Y96-W109 HydrophobicContact CE2-CD2 4.1Å; Y96-W109 AromaticContact CE2-CE3 3.86Å; Y96-W109 HydrophobicContact CE2-CE3 3.86Å; Y96-W109 HydrophobicContact CE2-CZ3 4.22Å
97D97Very high97.2Very high83 Ų8357.2 Ų57.244%0.44428%0.284SS..Hα-helixtrans-64.7-37.4179.1-73-18.7000111.9G94 L100 R101G94-D97 PolarHBondContact O-N 3.14Å; D97-L100 PolarHBondContact O-N 2.84Å; D97-R101 WeakPolarHBondContact O-CB 3.49Å; D97-R101 PolarHBondContact O-N 2.91Å
98E97.9Very high97.2Very high5 Ų555.5 Ų55.52%0.02328%0.28CS..Hα-helixtrans-59.2-47.8173.1-173.6-173.9153.500111.3S59 V60 G94 F95 Y96 R101 K102S59-E98 WeakPolarHBondContact CA-OE2 3.4Å; S59-E98 WeakPolarHBondContact CB-OE2 3.5Å; S59-E98 PolarHBondContact N-OE1 3.12Å; S59-E98 VanDerWaalsContact N-OE1 3.1Å; S59-E98 PolarHBondContact N-OE2 3.11Å; S59-E98 PolarHBondContact OG-OE2 3.32Å; V60-E98 WeakPolarHBondContact CB-OE1 3.47Å; V60-E98 HydrophobicContact CG2-CG 4.12Å; V60-E98 VanDerWaalsContact CG2-OE1 3.31Å; V60-E98 WeakPolarHBondContact CG2-OE1 3.48Å; V60-E98 PolarHBondContact N-OE1 3.49Å; G94-E98 WeakPolarHBondContact O-CB 3.48Å; G94-E98 PolarHBondContact O-N 3.28Å; F95-E98 PolarHBondContact O-N 2.84Å; Y96-E98 VanDerWaalsContact C-N 3.32Å; Y96-E98 PolarHBondContact O-N 2.8Å; E98-R101 PolarHBondContact O-N 3.23Å; E98-K102 HydrophobicContact CG-CD 3.96Å; E98-K102 HydrophobicContact CG-CG 4.49Å; E98-K102 WeakPolarHBondContact O-CB 3.49Å; E98-K102 WeakPolarHBondContact O-CG 3.2Å; E98-K102 PolarHBondContact O-N 3.3Å; E98-K102 WeakPolarHBondContact OE1-CE 3.4Å; E98-K102 IonicContact OE1-NZ 3.25Å; E98-K102 PolarHBondContact OE1-NZ 2.9Å
99C98.3Very high97.3Very high0 Ų052.5 Ų52.50%027%0.266CS..Hα-helixtrans-62.6-46.8177.9-71.10000111.8F95 Y96 R101 K102 Y103 W109F95-C99 PolarHBondContact O-N 2.82Å; F95-C99 PolarHBondContact O-SG 3.18Å; Y96-C99 PolarHBondContact O-N 3.38Å; C99-R101 VanDerWaalsContact C-N 3.34Å; C99-R101 PolarHBondContact O-N 3.03Å; C99-K102 PolarHBondContact O-N 3.02Å; C99-Y103 WeakPolarHBondContact O-CB 3.43Å; C99-Y103 WeakPolarHBondContact O-CD2 3.44Å; C99-Y103 PolarHBondContact O-N 2.7Å; C99-W109 HydrophobicContact CB-CB 3.79Å
100L97.3Very high97.4Very high58 Ų5856.2 Ų56.230%0.30428%0.281SS..Hα-helixtrans-57.6-47.3176.1-80.1-179.4000111.7Y96 D97 G104 A106Y96-L100 HydrophobicContact CD1-CD1 3.84Å; Y96-L100 HydrophobicContact CD1-CG 4.43Å; Y96-L100 HydrophobicContact CE1-CD1 3.22Å; Y96-L100 HydrophobicContact CE1-CG 4.02Å; Y96-L100 PolarHBondContact O-N 3.39Å; D97-L100 PolarHBondContact O-N 2.84Å; L100-G104 WeakPolarHBondContact O-CA 3.37Å; L100-G104 PolarHBondContact O-N 2.9Å; L100-A106 HydrophobicContact CD2-CB 4.08Å
101R97Very high97.4Very high166 Ų16663.5 Ų63.563%0.62631%0.309SS*.Hα-helixtrans-66-41.4-178.4-180178.855.678.7-2.1112.5D97 E98 C99D97-R101 WeakPolarHBondContact O-CB 3.49Å; D97-R101 PolarHBondContact O-N 2.91Å; E98-R101 PolarHBondContact O-N 3.23Å; C99-R101 VanDerWaalsContact C-N 3.34Å; C99-R101 PolarHBondContact O-N 3.03Å
102K97.3Very high97.5Very high64 Ų6459.8 Ų59.828%0.27829%0.292SS..Hα-helixtrans-79-34.5-176.7-72.4-177.4179.3175.90113.3V60 E61 E98 C99V60-K102 HydrophobicContact CB-CD 4.43Å; V60-K102 HydrophobicContact CG2-CD 4.34Å; E61-K102 IonicContact OE1-NZ 2.86Å; E61-K102 PolarHBondContact OE1-NZ 3.13Å; E61-K102 IonicContact OE2-NZ 3.67Å; E61-K102 PolarHBondContact OE2-NZ 3.27Å; E98-K102 HydrophobicContact CG-CD 3.96Å; E98-K102 HydrophobicContact CG-CG 4.49Å; E98-K102 WeakPolarHBondContact O-CB 3.49Å; E98-K102 WeakPolarHBondContact O-CG 3.2Å; E98-K102 PolarHBondContact O-N 3.3Å; E98-K102 WeakPolarHBondContact OE1-CE 3.4Å; E98-K102 IonicContact OE1-NZ 3.25Å; E98-K102 PolarHBondContact OE1-NZ 2.9Å; C99-K102 PolarHBondContact O-N 3.02Å
103Y97.4Very high97.7Very high109 Ų10955.8 Ų55.843%0.42727%0.267SS..Hα-helixtrans-116-3.8-171.3-61.5-84.3000114.4V60 C99 N105 V108V60-Y103 HydrophobicContact CG1-CE2 3.86Å; V60-Y103 VanDerWaalsContact CG1-OH 3.29Å; V60-Y103 WeakPolarHBondContact CG1-OH 3.43Å; V60-Y103 HydrophobicContact CG2-CE2 4.22Å; C99-Y103 WeakPolarHBondContact O-CB 3.43Å; C99-Y103 WeakPolarHBondContact O-CD2 3.44Å; C99-Y103 PolarHBondContact O-N 2.7Å; Y103-N105 PolarHBondContact O-N 3.13Å; Y103-N105 PolarHBondContact O-ND2 2.77Å; Y103-V108 HydrophobicContact CD1-CG2 3.8Å; Y103-V108 HydrophobicContact CD2-CB 3.97Å; Y103-V108 HydrophobicContact CD2-CG1 4.16Å; Y103-V108 HydrophobicContact CD2-CG2 3.71Å; Y103-V108 HydrophobicContact CE1-CG2 4.09Å; Y103-V108 HydrophobicContact CE2-CB 4.22Å; Y103-V108 HydrophobicContact CE2-CG1 3.91Å; Y103-V108 HydrophobicContact CE2-CG2 4Å; Y103-V108 HydrophobicContact CG-CB 4.32Å; Y103-V108 HydrophobicContact CG-CG2 3.6Å
104G97.3Very high97.8Very high69 Ų6955.2 Ų55.271%0.71127%0.269SS*.SBendtrans73.41.9179.500000114.8L100L100-G104 WeakPolarHBondContact O-CA 3.37Å; L100-G104 PolarHBondContact O-N 2.9Å
105N97.3Very high98Very high64 Ų6455.8 Ų55.834%0.34227%0.272SS..SBendtrans-160.6169.1178.165.775000111.4Y103 N107Y103-N105 PolarHBondContact O-N 3.13Å; Y103-N105 PolarHBondContact O-ND2 2.77Å; N105-N107 VanDerWaalsContact C-N 3.34Å; N105-N107 PolarHBondContact O-N 2.99Å; N105-N107 WeakPolarHBondContact OD1-CB 3.27Å; N105-N107 PolarHBondContact OD1-N 2.86Å; N105-N107 PolarHBondContact OD1-ND2 3.47Å
106A96.9Very high98Very high15 Ų1556 Ų5612%0.12427%0.273CS..SBendtrans-86.37.1-174.300000114.6Y96 L100 V108 W109 K110Y96-A106 HydrophobicContact CE2-CB 3.7Å; L100-A106 HydrophobicContact CD2-CB 4.08Å; A106-V108 PolarHBondContact O-N 3.12Å; A106-W109 HydrophobicContact CB-CE3 4.37Å; A106-W109 PolarHBondContact O-N 2.99Å; A106-K110 WeakPolarHBondContact O-CG 3.43Å; A106-K110 PolarHBondContact O-N 3.35Å
107N98.4Very high98Very high70 Ų7053.6 Ų53.637%0.37426%0.264SS..Hα-helixtrans-64.8-41.1-173.3-68.1-21.8000112.2N105 W109 K110 Y111N105-N107 VanDerWaalsContact C-N 3.34Å; N105-N107 PolarHBondContact O-N 2.99Å; N105-N107 WeakPolarHBondContact OD1-CB 3.27Å; N105-N107 PolarHBondContact OD1-N 2.86Å; N105-N107 PolarHBondContact OD1-ND2 3.47Å; N107-W109 VanDerWaalsContact C-N 3.33Å; N107-W109 PolarHBondContact O-N 2.8Å; N107-K110 WeakPolarHBondContact O-CB 3.47Å; N107-K110 PolarHBondContact O-N 2.97Å; N107-Y111 HydrophobicContact CB-CE2 3.97Å; N107-Y111 VanDerWaalsContact O-CD2 3.23Å; N107-Y111 WeakPolarHBondContact O-CD2 3.4Å; N107-Y111 PolarHBondContact O-N 2.61Å
108V98.4Very high98.1Very high24 Ų2452.7 Ų52.715%0.14526%0.255CS..Hα-helixtrans-61.1-43.5177.4175.90000111.1Y103 A106 K110 Y111 F112Y103-V108 HydrophobicContact CD1-CG2 3.8Å; Y103-V108 HydrophobicContact CD2-CB 3.97Å; Y103-V108 HydrophobicContact CD2-CG1 4.16Å; Y103-V108 HydrophobicContact CD2-CG2 3.71Å; Y103-V108 HydrophobicContact CE1-CG2 4.09Å; Y103-V108 HydrophobicContact CE2-CB 4.22Å; Y103-V108 HydrophobicContact CE2-CG1 3.91Å; Y103-V108 HydrophobicContact CE2-CG2 4Å; Y103-V108 HydrophobicContact CG-CB 4.32Å; Y103-V108 HydrophobicContact CG-CG2 3.6Å; A106-V108 PolarHBondContact O-N 3.12Å; V108-K110 PolarHBondContact O-N 3.44Å; V108-Y111 PolarHBondContact O-N 3.31Å; V108-F112 HydrophobicContact CG1-CD2 3.67Å; V108-F112 HydrophobicContact CG1-CE2 3.54Å; V108-F112 VanDerWaalsContact O-CD2 3.27Å; V108-F112 WeakPolarHBondContact O-CD2 3.47Å; V108-F112 PolarHBondContact O-N 2.91Å
109W98.7Very high98.1Very high21 Ų2152.7 Ų52.78%0.0826%0.255CS..Hα-helixtrans-60-44.4174.1169.980.3000112.2R87 T90 Q91 F95 Y96 C99 A106 N107 Y111 F112 T113R87-W109 HydrophobicContact CB-CH2 4.49Å; R87-W109 HydrophobicContact CB-CZ2 4.04Å; R87-W109 HydrophobicContact CG-CZ2 4.2Å; T90-W109 PolarHBondContact OG1-NE1 2.81Å; Q91-W109 HydrophobicContact CG-CH2 4.27Å; Q91-W109 HydrophobicContact CG-CZ2 3.72Å; F95-W109 AromaticContact CD1-CD1 3.83Å; Y96-W109 HydrophobicContact CD2-CB 4.31Å; Y96-W109 AromaticContact CD2-CD2 3.5Å; Y96-W109 HydrophobicContact CD2-CD2 3.5Å; Y96-W109 AromaticContact CD2-CE2 3.82Å; Y96-W109 AromaticContact CD2-CE3 3.77Å; Y96-W109 HydrophobicContact CD2-CE3 3.77Å; Y96-W109 AromaticContact CD2-CG 3.72Å; Y96-W109 HydrophobicContact CD2-CG 3.72Å; Y96-W109 HydrophobicContact CD2-CZ2 4.38Å; Y96-W109 HydrophobicContact CD2-CZ3 4.32Å; Y96-W109 HydrophobicContact CE2-CD2 4.1Å; Y96-W109 AromaticContact CE2-CE3 3.86Å; Y96-W109 HydrophobicContact CE2-CE3 3.86Å; Y96-W109 HydrophobicContact CE2-CZ3 4.22Å; C99-W109 HydrophobicContact CB-CB 3.79Å; A106-W109 HydrophobicContact CB-CE3 4.37Å; A106-W109 PolarHBondContact O-N 2.99Å; N107-W109 VanDerWaalsContact C-N 3.33Å; N107-W109 PolarHBondContact O-N 2.8Å; W109-Y111 PolarHBondContact O-N 3.45Å; W109-F112 PolarHBondContact O-N 3Å; W109-T113 HydrophobicContact CD2-CG2 4.33Å; W109-T113 HydrophobicContact CG-CG2 4.45Å; W109-T113 HydrophobicContact CZ2-CG2 4.15Å; W109-T113 WeakPolarHBondContact O-CG2 3.35Å; W109-T113 PolarHBondContact O-N 2.58Å; W109-T113 PolarHBondContact O-OG1 3.49Å
110K98.6Very high98.2Very high102 Ų10252.7 Ų52.744%0.44326%0.255SS..Hα-helixtrans-60.3-44.5175.6-69176.7-176.9177.60111.6A106 N107 V108 F112 T113 D114A106-K110 WeakPolarHBondContact O-CG 3.43Å; A106-K110 PolarHBondContact O-N 3.35Å; N107-K110 WeakPolarHBondContact O-CB 3.47Å; N107-K110 PolarHBondContact O-N 2.97Å; V108-K110 PolarHBondContact O-N 3.44Å; K110-F112 VanDerWaalsContact C-N 3.34Å; K110-F112 PolarHBondContact O-N 2.91Å; K110-T113 WeakPolarHBondContact CA-OG1 3.41Å; K110-T113 PolarHBondContact O-N 3.24Å; K110-T113 PolarHBondContact O-OG1 3.48Å; K110-D114 WeakPolarHBondContact O-CB 3.09Å; K110-D114 PolarHBondContact O-N 3.49Å
111Y98.6Very high98.2Very high152 Ų15249.9 Ų49.960%0.59624%0.241SC*.Hα-helixtrans-63.8-38.8-179.9-59.2-28.5000112.8N107 V108 W109 L115N107-Y111 HydrophobicContact CB-CE2 3.97Å; N107-Y111 VanDerWaalsContact O-CD2 3.23Å; N107-Y111 WeakPolarHBondContact O-CD2 3.4Å; N107-Y111 PolarHBondContact O-N 2.61Å; V108-Y111 PolarHBondContact O-N 3.31Å; W109-Y111 PolarHBondContact O-N 3.45Å; Y111-L115 WeakPolarHBondContact O-CB 3.37Å; Y111-L115 PolarHBondContact O-N 3.15Å
112F98.8Very high98.3Very high27 Ų2742 Ų4212%0.11821%0.211CC..Hα-helixtrans-71.7-45.7175.5-80.8-62.3000112.4V63 T64 F95 V108 W109 K110 D114 L115 F116V63-F112 HydrophobicContact CB-CE1 4.47Å; V63-F112 HydrophobicContact CG1-CD1 3.86Å; V63-F112 HydrophobicContact CG1-CD2 4.34Å; V63-F112 HydrophobicContact CG1-CE1 3.58Å; V63-F112 HydrophobicContact CG1-CE2 4.05Å; V63-F112 HydrophobicContact CG1-CG 4.26Å; V63-F112 HydrophobicContact CG1-CZ 3.68Å; V63-F112 HydrophobicContact CG2-CD1 4.11Å; V63-F112 HydrophobicContact CG2-CE1 4.17Å; T64-F112 WeakPolarHBondContact OG1-CZ 3.24Å; F95-F112 HydrophobicContact CE1-CB 3.79Å; F95-F112 HydrophobicContact CE1-CD2 4.4Å; F95-F112 HydrophobicContact CE1-CG 4.34Å; F95-F112 HydrophobicContact CZ-CB 3.83Å; F95-F112 AromaticContact CZ-CD2 3.62Å; F95-F112 HydrophobicContact CZ-CD2 3.62Å; F95-F112 HydrophobicContact CZ-CE2 4.4Å; F95-F112 AromaticContact CZ-CG 3.86Å; F95-F112 HydrophobicContact CZ-CG 3.86Å; V108-F112 HydrophobicContact CG1-CD2 3.67Å; V108-F112 HydrophobicContact CG1-CE2 3.54Å; V108-F112 VanDerWaalsContact O-CD2 3.27Å; V108-F112 WeakPolarHBondContact O-CD2 3.47Å; V108-F112 PolarHBondContact O-N 2.91Å; W109-F112 PolarHBondContact O-N 3Å; K110-F112 VanDerWaalsContact C-N 3.34Å; K110-F112 PolarHBondContact O-N 2.91Å; F112-D114 VanDerWaalsContact C-N 3.31Å; F112-D114 PolarHBondContact O-N 2.79Å; F112-L115 HydrophobicContact CD1-CD2 4.44Å; F112-L115 CarbonylContact O-C 3.52Å; F112-L115 WeakPolarHBondContact O-CA 3.32Å; F112-L115 VanDerWaalsContact O-CB 3.29Å; F112-L115 WeakPolarHBondContact O-CB 3.34Å; F112-L115 PolarHBondContact O-N 2.83Å; F112-F116 HydrophobicContact CB-CE1 4.26Å; F112-F116 HydrophobicContact CB-CE2 4.3Å; F112-F116 HydrophobicContact CB-CZ 3.93Å; F112-F116 HydrophobicContact CD1-CE1 4.42Å; F112-F116 VanDerWaalsContact O-CD1 3.26Å; F112-F116 WeakPolarHBondContact O-CD1 3.11Å; F112-F116 WeakPolarHBondContact O-CG 3.44Å; F112-F116 PolarHBondContact O-N 3.27Å
113T98.6Very high98.4Very high2 Ų239 Ų391%0.01220%0.198CC..Hα-helixtrans-64.8-36178.949.40000112.3R87 W109 K110 L115 F116R87-T113 HydrophobicContact CG-CG2 3.87Å; W109-T113 HydrophobicContact CD2-CG2 4.33Å; W109-T113 HydrophobicContact CG-CG2 4.45Å; W109-T113 HydrophobicContact CZ2-CG2 4.15Å; W109-T113 WeakPolarHBondContact O-CG2 3.35Å; W109-T113 PolarHBondContact O-N 2.58Å; W109-T113 PolarHBondContact O-OG1 3.49Å; K110-T113 WeakPolarHBondContact CA-OG1 3.41Å; K110-T113 PolarHBondContact O-N 3.24Å; K110-T113 PolarHBondContact O-OG1 3.48Å; T113-L115 PolarHBondContact O-N 2.82Å; T113-F116 HydrophobicContact CG2-CD2 4.13Å; T113-F116 HydrophobicContact CG2-CE2 4.34Å; T113-F116 PolarHBondContact O-N 3.13Å
114D98.6Very high98.5Very high62 Ų6234.2 Ų34.233%0.33218%0.18SC..Hα-helixtrans-68.7-21.3170.9-65.5-16.9000113.3K2 R87 K110 F112 Y118K2-D114 WeakPolarHBondContact CE-O 3.44Å; K2-D114 PolarHBondContact NZ-O 2.91Å; R87-D114 IonicContact CZ-OD1 2.83Å; R87-D114 IonicContact NH2-OD1 3.71Å; R87-D114 PolarHBondContact NH2-OD1 3.38Å; K110-D114 WeakPolarHBondContact O-CB 3.09Å; K110-D114 PolarHBondContact O-N 3.49Å; F112-D114 VanDerWaalsContact C-N 3.31Å; F112-D114 PolarHBondContact O-N 2.79Å; D114-Y118 VanDerWaalsContact O-CD2 3.25Å; D114-Y118 WeakPolarHBondContact O-CD2 3.04Å; D114-Y118 VanDerWaalsContact O-CE2 3.26Å; D114-Y118 WeakPolarHBondContact O-CE2 3.28Å
115L98.8Very high98.6Very high14 Ų1430.9 Ų30.97%0.07315%0.146CC..Hα-helixtrans-80.5-36.3172.517466.3000111.1A1 K2 L5 V67 Y111 F112 T113 D117 Y118A1-L115 HydrophobicContact CB-CD1 3.63Å; A1-L115 HydrophobicContact CB-CD2 4.09Å; K2-L115 HydrophobicContact CB-CD1 4.48Å; K2-L115 HydrophobicContact CG-CD1 3.59Å; L5-L115 HydrophobicContact CD1-CD1 3.71Å; L5-L115 HydrophobicContact CD1-CG 4.43Å; V67-L115 HydrophobicContact CG1-CD2 3.92Å; V67-L115 HydrophobicContact CG2-CD2 3.73Å; Y111-L115 WeakPolarHBondContact O-CB 3.37Å; Y111-L115 PolarHBondContact O-N 3.15Å; F112-L115 HydrophobicContact CD1-CD2 4.44Å; F112-L115 CarbonylContact O-C 3.52Å; F112-L115 WeakPolarHBondContact O-CA 3.32Å; F112-L115 VanDerWaalsContact O-CB 3.29Å; F112-L115 WeakPolarHBondContact O-CB 3.34Å; F112-L115 PolarHBondContact O-N 2.83Å; T113-L115 PolarHBondContact O-N 2.82Å; L115-D117 PolarHBondContact O-N 3.39Å; L115-Y118 WeakPolarHBondContact O-CB 3.22Å; L115-Y118 PolarHBondContact O-N 3.2Å
116F98.9Very high98.6Very high3 Ų330.9 Ų30.91%0.01315%0.146CC..Hα-helixtrans-59.4-32.5-178.3-66.6-17.8000113.2V53 V63 R81 E85 T90 F95 F112 T113 Y118 L119V53-F116 HydrophobicContact CG1-CZ 4.04Å; V53-F116 HydrophobicContact CG2-CE2 4.34Å; V53-F116 HydrophobicContact CG2-CZ 4.42Å; V63-F116 HydrophobicContact CG2-CE1 3.73Å; V63-F116 HydrophobicContact CG2-CZ 4.05Å; R81-F116 PolarHBondContact NE-O 3.16Å; E85-F116 HydrophobicContact CB-CB 3.91Å; E85-F116 HydrophobicContact CB-CD1 4.12Å; E85-F116 HydrophobicContact CB-CD2 3.83Å; E85-F116 HydrophobicContact CB-CE2 4.36Å; E85-F116 HydrophobicContact CB-CG 3.7Å; E85-F116 HydrophobicContact CG-CD1 3.79Å; E85-F116 HydrophobicContact CG-CD2 4.03Å; E85-F116 HydrophobicContact CG-CE1 3.89Å; E85-F116 HydrophobicContact CG-CE2 4.12Å; E85-F116 HydrophobicContact CG-CG 3.87Å; E85-F116 HydrophobicContact CG-CZ 4.06Å; E85-F116 WeakPolarHBondContact O-CB 3.37Å; T90-F116 HydrophobicContact CG2-CE2 4.47Å; F95-F116 HydrophobicContact CD1-CE2 4.44Å; F95-F116 AromaticContact CE1-CE2 3.98Å; F95-F116 HydrophobicContact CE1-CE2 3.98Å; F95-F116 HydrophobicContact CE1-CZ 4.03Å; F112-F116 HydrophobicContact CB-CE1 4.26Å; F112-F116 HydrophobicContact CB-CE2 4.3Å; F112-F116 HydrophobicContact CB-CZ 3.93Å; F112-F116 HydrophobicContact CD1-CE1 4.42Å; F112-F116 VanDerWaalsContact O-CD1 3.26Å; F112-F116 WeakPolarHBondContact O-CD1 3.11Å; F112-F116 WeakPolarHBondContact O-CG 3.44Å; F112-F116 PolarHBondContact O-N 3.27Å; T113-F116 HydrophobicContact CG2-CD2 4.13Å; T113-F116 HydrophobicContact CG2-CE2 4.34Å; T113-F116 PolarHBondContact O-N 3.13Å; F116-Y118 PolarHBondContact O-N 2.93Å; F116-L119 HydrophobicContact CB-CD1 4.34Å; F116-L119 HydrophobicContact CD1-CD1 3.9Å; F116-L119 HydrophobicContact CG-CD1 4.45Å; F116-L119 WeakPolarHBondContact O-CB 3.27Å; F116-L119 PolarHBondContact O-N 3.34Å; F116-L119 VanDerWaalsContact O-N 3.11Å
117D98.8Very high98.6Very high16 Ų1631.8 Ų31.89%0.08616%0.156CC..THydrogen-bonded Turntrans-59-21.3174.7-61.9-20.8000113.5R81 R87 L115 L152 Q153R81-D117 IonicContact CZ-OD1 3.56Å; R81-D117 IonicContact NH1-OD1 3.44Å; R81-D117 IonicContact NH2-OD1 3.88Å; R81-D117 PolarHBondContact NH2-OD1 2.92Å; R87-D117 IonicContact CZ-OD2 3.35Å; R87-D117 VanDerWaalsContact CZ-OD2 3.29Å; R87-D117 IonicContact NH1-OD1 3.06Å; R87-D117 PolarHBondContact NH1-OD1 3.25Å; R87-D117 IonicContact NH1-OD2 3.8Å; R87-D117 PolarHBondContact NH1-OD2 2.84Å; R87-D117 IonicContact NH2-OD2 3.28Å; R87-D117 PolarHBondContact NH2-OD2 3.38Å; L115-D117 PolarHBondContact O-N 3.39Å; D117-L152 WeakPolarHBondContact O-CD2 3.26Å; D117-Q153 VanDerWaalsContact OD1-O 3.07Å
118Y98.8Very high98.6Very high64 Ų6432.4 Ų32.425%0.25116%0.157SC..THydrogen-bonded Turntrans-90.9-14.1-178.6-67.6-99.7000113.6K2 T6 D114 L115 F116 R151 L152K2-Y118 HydrophobicContact CD-CD2 4.25Å; K2-Y118 HydrophobicContact CD-CE2 3.92Å; K2-Y118 HydrophobicContact CG-CD2 4.1Å; K2-Y118 HydrophobicContact CG-CE2 4.25Å; K2-Y118 HydrophobicContact CG-CG 4.4Å; T6-Y118 WeakPolarHBondContact OG1-CD1 3.34Å; T6-Y118 WeakPolarHBondContact OG1-CE1 3.26Å; D114-Y118 VanDerWaalsContact O-CD2 3.25Å; D114-Y118 WeakPolarHBondContact O-CD2 3.04Å; D114-Y118 VanDerWaalsContact O-CE2 3.26Å; D114-Y118 WeakPolarHBondContact O-CE2 3.28Å; L115-Y118 WeakPolarHBondContact O-CB 3.22Å; L115-Y118 PolarHBondContact O-N 3.2Å; F116-Y118 PolarHBondContact O-N 2.93Å; Y118-R151 PolarHBondContact O-NE 3.22Å; Y118-R151 VanDerWaalsContact O-NE 3.08Å; Y118-L152 HydrophobicContact CD1-CD2 3.61Å; Y118-L152 HydrophobicContact CE1-CD1 4.44Å; Y118-L152 HydrophobicContact CE1-CD2 3.95Å; Y118-L152 HydrophobicContact CG-CD2 3.95Å
119L98.8Very high98.6Very high4 Ų431.4 Ų31.42%0.02115%0.151CC..SBendtrans-62.6130.9-176.3-68.7171.8000110.7L5 Y52 I79 R81 E85 F116 R151L5-L119 HydrophobicContact CD1-CD2 3.91Å; L5-L119 HydrophobicContact CD2-CD2 4.43Å; Y52-L119 HydrophobicContact CE2-CD1 4.22Å; I79-L119 HydrophobicContact CB-CD2 4.43Å; I79-L119 HydrophobicContact CD1-CD2 3.73Å; I79-L119 HydrophobicContact CG1-CD2 3.79Å; R81-L119 HydrophobicContact CB-CB 3.72Å; R81-L119 HydrophobicContact CB-CD1 4.4Å; R81-L119 HydrophobicContact CG-CB 4.15Å; R81-L119 HydrophobicContact CG-CD1 4.31Å; E85-L119 HydrophobicContact CB-CD1 4.04Å; E85-L119 HydrophobicContact CG-CD1 3.81Å; F116-L119 HydrophobicContact CB-CD1 4.34Å; F116-L119 HydrophobicContact CD1-CD1 3.9Å; F116-L119 HydrophobicContact CG-CD1 4.45Å; F116-L119 WeakPolarHBondContact O-CB 3.27Å; F116-L119 PolarHBondContact O-N 3.34Å; F116-L119 VanDerWaalsContact O-N 3.11Å; L119-R151 WeakPolarHBondContact O-CD 3.39Å
120P98.7Very high98.6Very high0 Ų030.4 Ų30.40%015%0.147CC..  trans-52146.4170.2-28.736.8000112.2E8 S9 Q12 L80 R81E8-P120 HydrophobicContact CB-CG 3.79Å; E8-P120 WeakPolarHBondContact OE2-CG 3.4Å; S9-P120 WeakPolarHBondContact O-CB 3.26Å; Q12-P120 HydrophobicContact CB-CB 4.27Å; L80-P120 CarbonylContact C-O 3.56Å; L80-P120 WeakPolarHBondContact CA-O 3.42Å; L80-P120 HydrophobicContact CD2-CB 3.88Å; R81-P120 PolarHBondContact N-O 3.11Å
121L98.9Very high98.6Very high0 Ų025.6 Ų25.60%013%0.126CC..SBendtrans-81.4-37.9-179.2-62178.1000111.7N10 R81 L149 R151 M161 L164N10-L121 PolarHBondContact O-N 3.07Å; R81-L121 HydrophobicContact CB-CD2 4.38Å; L121-L149 HydrophobicContact CD1-CB 4.34Å; L121-L149 HydrophobicContact CD1-CD1 3.86Å; L121-R151 HydrophobicContact CD1-CB 4.12Å; L121-R151 HydrophobicContact CD2-CB 4.3Å; L121-R151 HydrophobicContact CG-CB 4.1Å; L121-M161 HydrophobicContact CD1-CG 4.18Å; L121-M161 HydrophobicContact CD2-CE 3.98Å; L121-M161 HydrophobicContact CD2-CG 4.1Å; L121-L164 HydrophobicContact CD1-CD1 4.3Å
122T98.9Very high98.6Very high0 Ų018.3 Ų18.30%010%0.098CC..EExtended strand (participates in β ladder)trans-144.2167.5-173.871.40000111.1N10 V11 Q12 L80 F130 C131 L132 I146 L164N10-T122 CarbonylContact O-C 3.08Å; N10-T122 WeakPolarHBondContact O-CA 3.42Å; N10-T122 PolarHBondContact O-N 2.99Å; N10-T122 PolarHBondContact O-OG1 3.27Å; N10-T122 VanDerWaalsContact O-OG1 3.05Å; V11-T122 WeakPolarHBondContact CA-OG1 3.43Å; Q12-T122 PolarHBondContact N-O 3.46Å; L80-T122 WeakPolarHBondContact CD2-O 3.5Å; T122-F130 HydrophobicContact CG2-CE2 3.84Å; T122-F130 HydrophobicContact CG2-CZ 3.73Å; T122-C131 CarbonylContact C-O 3.58Å; T122-C131 VanDerWaalsContact CA-O 3.25Å; T122-C131 WeakPolarHBondContact CA-O 3.38Å; T122-C131 VanDerWaalsContact CB-O 3.32Å; T122-C131 WeakPolarHBondContact CB-O 3.26Å; T122-L132 HydrophobicContact CG2-CB 3.79Å; T122-I146 HydrophobicContact CG2-CD1 4.44Å; T122-I146 HydrophobicContact CG2-CG2 4.14Å; T122-L164 HydrophobicContact CG2-CD1 4.37Å; T122-L164 HydrophobicContact CG2-CD2 4.43Å
123A98.9Very high98.6Very high0 Ų017 Ų170%09%0.092CC..EExtended strand (participates in β ladder)trans-133157.9171.500000111.3Q12 V14 L47 L80 C131Q12-A123 HydrophobicContact CB-CB 4.46Å; Q12-A123 CarbonylContact O-C 3.52Å; Q12-A123 WeakPolarHBondContact O-CA 3.43Å; Q12-A123 WeakPolarHBondContact O-CB 3.05Å; V14-A123 HydrophobicContact CG2-CB 4.02Å; L47-A123 HydrophobicContact CD1-CB 3.74Å; L47-A123 HydrophobicContact CD2-CB 3.89Å; L47-A123 HydrophobicContact CG-CB 4.5Å; L80-A123 HydrophobicContact CD1-CB 4.12Å; L80-A123 HydrophobicContact CD2-CB 4.08Å; A123-C131 HydrophobicContact CB-CB 4.24Å; A123-C131 PolarHBondContact N-O 2.9Å; A123-C131 PolarHBondContact O-N 2.76Å
124L98.8Very high98.7Very high9 Ų917 Ų175%0.0479%0.091CC..EExtended strand (participates in β ladder)trans-126.1112.4174.6-174.262.9000108.5V11 Q12 V14 L143 L200V11-L124 HydrophobicContact CG1-CB 3.89Å; Q12-L124 PolarHBondContact O-N 3.44Å; V14-L124 PolarHBondContact N-O 3.25Å; L124-L143 HydrophobicContact CD1-CD1 4.25Å; L124-L143 HydrophobicContact CD2-CD1 3.87Å; L124-L200 HydrophobicContact CD1-CD2 3.49Å; L124-L200 VanDerWaalsContact CD1-CD2 3.49Å
125V98.8Very high98.6Very high0 Ų014 Ų140%08%0.076CC..EExtended strand (participates in β ladder)trans-89117.7178.8-1720000109.3V14 V18 L47 G127 Q128 I129 L244 L248V14-V125 HydrophobicContact CB-CG2 4.18Å; V14-V125 HydrophobicContact CG1-CG2 4.29Å; V14-V125 CarbonylContact O-C 3.6Å; V14-V125 VanDerWaalsContact O-CA 3.29Å; V14-V125 WeakPolarHBondContact O-CA 3.37Å; V18-V125 HydrophobicContact CG1-CG1 3.71Å; V18-V125 HydrophobicContact CG1-CG2 4.28Å; L47-V125 HydrophobicContact CD2-CG2 3.91Å; V125-G127 PolarHBondContact O-N 3.14Å; V125-Q128 PolarHBondContact O-N 3.13Å; V125-I129 HydrophobicContact CB-CB 4.19Å; V125-I129 PolarHBondContact N-O 2.81Å; V125-I129 PolarHBondContact O-N 2.86Å; V125-I129 VanDerWaalsContact O-N 3.13Å; V125-L244 HydrophobicContact CB-CD1 4.43Å; V125-L244 HydrophobicContact CG1-CD1 3.98Å; V125-L244 HydrophobicContact CG2-CD1 4.46Å; V125-L248 HydrophobicContact CG1-CD2 4.26Å
126D97.5Very high98.6Very high64 Ų6413.4 Ų13.434%0.3427%0.073SC..THydrogen-bonded Turntrans41.939.8-177.5-74.1-24.5000114.2V14 R15 C16 Q128 L248V14-D126 PolarHBondContact O-N 2.81Å; R15-D126 WeakPolarHBondContact CA-OD1 3.17Å; C16-D126 WeakPolarHBondContact CB-OD2 3.29Å; C16-D126 PolarHBondContact N-OD2 3.06Å; C16-D126 VanDerWaalsContact N-OD2 3.08Å; C16-D126 PolarHBondContact SG-OD2 3.48Å; C16-D126 VanDerWaalsContact SG-OD2 3.42Å; D126-Q128 PolarHBondContact O-N 3.25Å; D126-Q128 VanDerWaalsContact O-N 3.11Å; D126-L248 HydrophobicContact CB-CD1 4.07Å; D126-L248 HydrophobicContact CB-CD2 4.17Å; D126-L248 HydrophobicContact CB-CG 4.36Å
127G97.8Very high98.6Very high34 Ų3413.4 Ų13.435%0.3517%0.073SC..THydrogen-bonded Turntrans71.4-1.6177.700000115.9V125V125-G127 PolarHBondContact O-N 3.14Å
128Q97.9Very high98.6Very high82 Ų8214.9 Ų14.938%0.3838%0.083SC..THydrogen-bonded Turntrans-122.6-31.3-168.2-70.5-165.587.100114.9V125 D126 L200 T201 L248V125-Q128 PolarHBondContact O-N 3.13Å; D126-Q128 PolarHBondContact O-N 3.25Å; D126-Q128 VanDerWaalsContact O-N 3.11Å; Q128-L200 WeakPolarHBondContact O-CA 3.38Å; Q128-T201 HydrophobicContact CB-CG2 4.35Å; Q128-T201 PolarHBondContact O-N 2.88Å; Q128-T201 PolarHBondContact O-OG1 3.34Å; Q128-L248 HydrophobicContact CB-CD1 4.07Å; Q128-L248 HydrophobicContact CG-CD1 4.27Å
129I98.8Very high98.6Very high4 Ų415.2 Ų15.22%0.02110%0.095CC..EExtended strand (participates in β ladder)trans-109.8111.8-179.3-54.5176000109.3V125 L202 L244 L248V125-I129 HydrophobicContact CB-CB 4.19Å; V125-I129 PolarHBondContact N-O 2.81Å; V125-I129 PolarHBondContact O-N 2.86Å; V125-I129 VanDerWaalsContact O-N 3.13Å; I129-L202 HydrophobicContact CD1-CD2 4.37Å; I129-L202 HydrophobicContact CG1-CB 4.22Å; I129-L202 HydrophobicContact CG1-CD2 4.48Å; I129-L202 HydrophobicContact CG2-CB 4.12Å; I129-L202 HydrophobicContact CG2-CD2 3.95Å; I129-L202 HydrophobicContact CG2-CG 4.05Å; I129-L244 HydrophobicContact CD1-CD1 3.66Å; I129-L244 HydrophobicContact CD1-CD2 3.46Å; I129-L244 VanDerWaalsContact CD1-CD2 3.46Å; I129-L244 HydrophobicContact CD1-CG 4.23Å; I129-L248 HydrophobicContact CD1-CD2 3.81Å; I129-L248 HydrophobicContact CG1-CD2 4.28Å
130F98.9Very high98.5Very high0 Ų015.4 Ų15.40%010%0.096CC..EExtended strand (participates in β ladder)trans-86.8118.4178.6176.9-119.8000110.2T122 L132 L136 L143 I146 F194 L200 L202 V203 S204T122-F130 HydrophobicContact CG2-CE2 3.84Å; T122-F130 HydrophobicContact CG2-CZ 3.73Å; F130-L132 HydrophobicContact CD1-CD2 4.15Å; F130-L132 HydrophobicContact CE1-CD1 3.71Å; F130-L132 HydrophobicContact CE1-CD2 4Å; F130-L132 HydrophobicContact CE1-CG 4.32Å; F130-L132 HydrophobicContact CZ-CD1 4.1Å; F130-L136 HydrophobicContact CD1-CD2 4.5Å; F130-L136 HydrophobicContact CE1-CD2 4.06Å; F130-L143 HydrophobicContact CD2-CD2 3.56Å; F130-L143 HydrophobicContact CE2-CD2 3.54Å; F130-L143 HydrophobicContact CG-CD2 4.25Å; F130-L143 HydrophobicContact CZ-CD2 4.23Å; F130-I146 HydrophobicContact CE2-CD1 3.74Å; F130-I146 HydrophobicContact CZ-CD1 3.44Å; F130-I146 VanDerWaalsContact CZ-CD1 3.44Å; F130-F194 AromaticContact CD1-CE1 3.76Å; F130-F194 HydrophobicContact CD1-CE1 3.76Å; F130-F194 HydrophobicContact CD1-CZ 4.43Å; F130-F194 AromaticContact CE1-CE1 3.84Å; F130-F194 HydrophobicContact CE1-CE1 3.84Å; F130-F194 HydrophobicContact CE1-CZ 4.1Å; F130-F194 HydrophobicContact CG-CE1 4.37Å; F130-F194 HydrophobicContact CZ-CZ 4.43Å; F130-L200 HydrophobicContact CB-CD1 3.56Å; F130-L200 HydrophobicContact CB-CD2 4.09Å; F130-L200 HydrophobicContact CB-CG 4.38Å; F130-L200 HydrophobicContact CG-CD1 4.14Å; F130-L202 PolarHBondContact N-O 3.19Å; F130-V203 HydrophobicContact CD1-CG1 4.26Å; F130-V203 HydrophobicContact CD1-CG2 4.3Å; F130-V203 CarbonylContact O-C 3.58Å; F130-V203 WeakPolarHBondContact O-CA 3.47Å; F130-S204 PolarHBondContact O-N 3.27Å
131C98.9Very high98.5Very high0 Ų020.5 Ų20.50%012%0.123CC..EExtended strand (participates in β ladder)trans-112.2132.6-175.5-58.60000111.1L47 M49 T122 A123 S204L47-C131 HydrophobicContact CD2-CB 3.65Å; M49-C131 HydrophobicContact SD-CB 4.26Å; T122-C131 CarbonylContact C-O 3.58Å; T122-C131 VanDerWaalsContact CA-O 3.25Å; T122-C131 WeakPolarHBondContact CA-O 3.38Å; T122-C131 VanDerWaalsContact CB-O 3.32Å; T122-C131 WeakPolarHBondContact CB-O 3.26Å; A123-C131 HydrophobicContact CB-CB 4.24Å; A123-C131 PolarHBondContact N-O 2.9Å; A123-C131 PolarHBondContact O-N 2.76Å; C131-S204 VanDerWaalsContact CA-O 3.25Å; C131-S204 WeakPolarHBondContact CA-O 3.33Å
132L98.8Very high98.4Very high0 Ų022.7 Ų22.70%014%0.136CC..EExtended strand (participates in β ladder)trans-154.6170.2179.172.7177.6000111T122 F130 G135 L164 V203 S204 R205T122-L132 HydrophobicContact CG2-CB 3.79Å; F130-L132 HydrophobicContact CD1-CD2 4.15Å; F130-L132 HydrophobicContact CE1-CD1 3.71Å; F130-L132 HydrophobicContact CE1-CD2 4Å; F130-L132 HydrophobicContact CE1-CG 4.32Å; F130-L132 HydrophobicContact CZ-CD1 4.1Å; L132-G135 WeakPolarHBondContact CD1-O 3.48Å; L132-L164 HydrophobicContact CD1-CD2 3.89Å; L132-V203 HydrophobicContact CD2-CG1 3.46Å; L132-V203 VanDerWaalsContact CD2-CG1 3.46Å; L132-S204 PolarHBondContact N-O 3.21Å; L132-S204 VanDerWaalsContact N-O 3.07Å; L132-R205 HydrophobicContact CD2-CB 4Å; L132-R205 VanDerWaalsContact O-CA 3.26Å; L132-R205 WeakPolarHBondContact O-CA 3.47Å
133H98.9Very high98.4Very high0 Ų023.2 Ų23.20%014%0.139CC..SBendtrans-77.1-63.6177.5-171.456.6000112.6D23 M49 D51 G82 N83 L165 R205 A206 H207D23-H133 IonicContact OD1-CE1 2.88Å; D23-H133 PolarHBondContact OD1-CE1 2.92Å; D23-H133 IonicContact OD1-ND1 3.29Å; M49-H133 VanDerWaalsContact O-CB 3.27Å; M49-H133 WeakPolarHBondContact O-CB 3.26Å; M49-H133 PolarHBondContact O-ND1 2.99Å; D51-H133 IonicContact OD1-CD2 3.83Å; D51-H133 IonicContact OD1-CE1 3.63Å; D51-H133 PolarHBondContact OD1-CE1 2.91Å; D51-H133 IonicContact OD1-NE2 3.69Å; D51-H133 PolarHBondContact OD1-NE2 3.48Å; D51-H133 VanDerWaalsContact OD1-NE2 3.12Å; D51-H133 IonicContact OD2-CE1 3.06Å; D51-H133 PolarHBondContact OD2-CE1 2.91Å; D51-H133 IonicContact OD2-NE2 2.91Å; D51-H133 PolarHBondContact OD2-NE2 3.18Å; G82-H133 VanDerWaalsContact CA-CD2 3.44Å; G82-H133 WeakPolarHBondContact CA-CD2 3.15Å; G82-H133 VanDerWaalsContact CA-CG 3.47Å; N83-H133 PolarHBondContact N-CD2 2.9Å; N83-H133 PolarHBondContact OD1-CD2 3.48Å; N83-H133 PolarHBondContact OD1-NE2 2.76Å; H133-L165 HydrophobicContact CB-CD2 4.16Å; H133-L165 PolarHBondContact CD2-O 3Å; H133-R205 PolarHBondContact O-NE 3.13Å; H133-R205 PolarHBondContact O-NH2 2.72Å; H133-A206 CarbonylContact O-C 3.5Å; H133-A206 PolarHBondContact O-N 2.91Å; H133-H207 AromaticContact CD2-ND1 3.83Å; H133-H207 AromaticContact NE2-CG 3.83Å; H133-H207 AromaticContact NE2-ND1 3.37Å; H133-H207 PolarHBondContact NE2-ND1 2.96Å
134G98.8Very high98.4Very high0 Ų028 Ų280%017%0.165CC..SBendtrans-78.9-112.9-176.400000111.3L164 S167 R205G134-L164 CarbonylContact C-O 3.57Å; G134-L164 WeakPolarHBondContact CA-O 3.25Å; G134-L164 PolarHBondContact N-O 3.26Å; G134-S167 CarbonylContact C-O 3.5Å; G134-R205 WeakPolarHBondContact O-CB 3.02Å; G134-R205 WeakPolarHBondContact O-CD 3.36Å; G134-R205 PolarHBondContact O-NE 2.8Å; G134-R205 PolarHBondContact O-NH2 2.9Å
135G98.2Very high98.4Very high0 Ų031.5 Ų31.50%018%0.181CC..  trans-157-165.2-173.700000112.1L132 L164 S167L132-G135 WeakPolarHBondContact CD1-O 3.48Å; G135-L164 PolarHBondContact N-O 2.84Å; G135-L164 WeakPolarHBondContact O-CA 3.32Å; G135-S167 PolarHBondContact N-O 3Å
136L98.7Very high98.4Very high2 Ų231.5 Ų31.51%0.0118%0.181CC..  trans-73.4163.2-177.6-56.3-179.8000111.3F130 S167 W175 F186 I190 F194 V203F130-L136 HydrophobicContact CD1-CD2 4.5Å; F130-L136 HydrophobicContact CE1-CD2 4.06Å; L136-S167 WeakPolarHBondContact O-CB 3.44Å; L136-S167 PolarHBondContact O-OG 3.26Å; L136-W175 VanDerWaalsContact C-CH2 3.48Å; L136-W175 HydrophobicContact CB-CH2 3.67Å; L136-W175 HydrophobicContact CB-CZ3 4.36Å; L136-W175 WeakPolarHBondContact O-CZ3 3.31Å; L136-F186 HydrophobicContact CB-CD1 4.48Å; L136-F186 HydrophobicContact CB-CD2 4.47Å; L136-F186 HydrophobicContact CB-CG 4.39Å; L136-F186 HydrophobicContact CD1-CD2 4.11Å; L136-F186 HydrophobicContact CD1-CE2 4.13Å; L136-F186 HydrophobicContact CG-CD2 4.32Å; L136-F186 HydrophobicContact CG-CE2 4.14Å; L136-F186 HydrophobicContact CG-CZ 4.37Å; L136-I190 HydrophobicContact CD1-CG2 4.04Å; L136-F194 HydrophobicContact CD1-CB 3.73Å; L136-F194 HydrophobicContact CD1-CD1 4.26Å; L136-F194 HydrophobicContact CD1-CG 3.96Å; L136-F194 HydrophobicContact CD2-CD1 3.69Å; L136-F194 HydrophobicContact CD2-CD2 4.27Å; L136-F194 HydrophobicContact CD2-CE1 3.82Å; L136-F194 HydrophobicContact CD2-CE2 4.39Å; L136-F194 HydrophobicContact CD2-CG 3.92Å; L136-F194 HydrophobicContact CD2-CZ 4.17Å; L136-V203 HydrophobicContact CD2-CG2 4.49Å
137S98.6Very high98.4Very high2 Ų233 Ų331%0.01418%0.182CC..  trans-120.1140176.1173.30000110.9S139 I140 D163 W175S137-S139 PolarHBondContact O-N 3.05Å; S137-S139 VanDerWaalsContact O-N 3.13Å; S137-S139 PolarHBondContact OG-N 3.18Å; S137-S139 VanDerWaalsContact OG-N 3.11Å; S137-I140 PolarHBondContact O-N 3.27Å; S137-I140 VanDerWaalsContact O-N 3.14Å; S137-D163 VanDerWaalsContact CB-CB 3.47Å; S137-D163 WeakPolarHBondContact CB-OD2 3.35Å; S137-D163 PolarHBondContact OG-OD2 3.12Å; S137-W175 VanDerWaalsContact C-CZ2 3.47Å; S137-W175 WeakPolarHBondContact O-CH2 3.1Å
138P98.3Very high98.5Very high47 Ų4735.3 Ų35.331%0.30520%0.198SC..THydrogen-bonded Turntrans-65.5-11.4172.327.7-34.8000113.2W175 Y184P138-W175 VanDerWaalsContact CA-CZ2 3.46Å; P138-W175 HydrophobicContact CB-CD2 3.91Å; P138-W175 HydrophobicContact CB-CE3 4.37Å; P138-W175 HydrophobicContact CB-CG 4.25Å; P138-W175 HydrophobicContact CB-CZ2 4.07Å; P138-W175 HydrophobicContact CG-CD2 4.46Å; P138-W175 HydrophobicContact CG-CE3 4.47Å; P138-W175 VanDerWaalsContact N-CH2 3.31Å; P138-Y184 HydrophobicContact CG-CD1 4.37Å; P138-Y184 HydrophobicContact CG-CD2 3.72Å; P138-Y184 HydrophobicContact CG-CE1 4.25Å; P138-Y184 HydrophobicContact CG-CE2 3.57Å; P138-Y184 HydrophobicContact CG-CG 4.13Å
139S97.9Very high98.5Very high72 Ų7233.2 Ų33.250%0.50319%0.189SC..THydrogen-bonded Turntrans-97.82.8177.8-55.90000113.2S137S137-S139 PolarHBondContact O-N 3.05Å; S137-S139 VanDerWaalsContact O-N 3.13Å; S137-S139 PolarHBondContact OG-N 3.18Å; S137-S139 VanDerWaalsContact OG-N 3.11Å
140I98.4Very high98.5Very high7 Ų738.1 Ų38.14%0.03622%0.215CC..  trans-129101.7-172.7-58.7179.6000109.7S137 T142 H145 I146 L149 P160 L164 F194S137-I140 PolarHBondContact O-N 3.27Å; S137-I140 VanDerWaalsContact O-N 3.14Å; I140-T142 WeakPolarHBondContact CG2-O 3.47Å; I140-H145 HydrophobicContact CG2-CB 4.15Å; I140-I146 HydrophobicContact CD1-CG1 3.99Å; I140-I146 HydrophobicContact CG2-CD1 4.01Å; I140-I146 HydrophobicContact CG2-CG1 3.56Å; I140-L149 HydrophobicContact CD1-CD1 4.43Å; I140-P160 HydrophobicContact CD1-CB 3.65Å; I140-P160 HydrophobicContact CG1-CB 3.8Å; I140-L164 HydrophobicContact CD1-CD1 3.77Å; I140-L164 HydrophobicContact CD1-CD2 3.91Å; I140-L164 HydrophobicContact CD1-CG 3.76Å; I140-F194 HydrophobicContact CG2-CE2 4.24Å
141D97Very high98.4Very high108 Ų10839.2 Ų39.258%0.57822%0.22SC*.SBendtrans-88.1-31.1174.2-54.2-57.7000112.4H145 N198D141-H145 PolarHBondContact N-ND1 3.13Å; D141-H145 IonicContact OD2-CE1 2.7Å; D141-N198 PolarHBondContact O-ND2 3.44Å
142T98.4Very high98.4Very high45 Ų4543 Ų4328%0.27624%0.239SC..SBendtrans-131.6156.1-172.468.80000113.4I140 D144 H145 N198I140-T142 WeakPolarHBondContact CG2-O 3.47Å; T142-D144 PolarHBondContact O-N 3.43Å; T142-H145 WeakPolarHBondContact O-CB 3.31Å; T142-H145 PolarHBondContact O-N 2.94Å; T142-H145 VanDerWaalsContact O-N 3.13Å; T142-H145 PolarHBondContact OG1-CD2 3.13Å; T142-N198 WeakPolarHBondContact CA-OD1 3.49Å
143L98.7Very high98.3Very high11 Ų1147 Ų476%0.05826%0.258CS..Hα-helixtrans-58.4-28.2173.1-63.3-178.3000112.8L124 F130 H145 I146 R147 F194 N198 L200L124-L143 HydrophobicContact CD1-CD1 4.25Å; L124-L143 HydrophobicContact CD2-CD1 3.87Å; F130-L143 HydrophobicContact CD2-CD2 3.56Å; F130-L143 HydrophobicContact CE2-CD2 3.54Å; F130-L143 HydrophobicContact CG-CD2 4.25Å; F130-L143 HydrophobicContact CZ-CD2 4.23Å; L143-H145 VanDerWaalsContact C-N 3.34Å; L143-H145 PolarHBondContact O-N 3.04Å; L143-I146 HydrophobicContact CD2-CD1 4.1Å; L143-I146 WeakPolarHBondContact O-CB 3.25Å; L143-I146 PolarHBondContact O-N 3.28Å; L143-R147 WeakPolarHBondContact O-CG 3.47Å; L143-R147 PolarHBondContact O-N 2.65Å; L143-F194 HydrophobicContact CD2-CE1 4.44Å; L143-F194 HydrophobicContact CD2-CZ 4.11Å; L143-N198 HydrophobicContact CG-CB 4.24Å; L143-N198 PolarHBondContact N-OD1 3.19Å; L143-L200 HydrophobicContact CD1-CD2 4.38Å
144D98.5Very high98.3Very high102 Ų10249 Ų4955%0.54527%0.267SS..Hα-helixtrans-68.7-31.6178-74.1-22.5000112.8T142 I146 R147 A148T142-D144 PolarHBondContact O-N 3.43Å; D144-I146 PolarHBondContact O-N 2.8Å; D144-R147 PolarHBondContact O-N 3.48Å; D144-R147 IonicContact OD1-CZ 2.6Å; D144-R147 IonicContact OD1-NH1 3.73Å; D144-R147 PolarHBondContact OD1-NH1 3.37Å; D144-A148 PolarHBondContact O-N 3.3Å; D144-A148 VanDerWaalsContact O-N 3.13Å
145H98.6Very high98.2Very high81 Ų8149.3 Ų49.338%0.37527%0.269SS..Hα-helixtrans-61.1-38.5171.8-65.7-178.5000110.7I140 D141 T142 L143 A148I140-H145 HydrophobicContact CG2-CB 4.15Å; D141-H145 PolarHBondContact N-ND1 3.13Å; D141-H145 IonicContact OD2-CE1 2.7Å; T142-H145 WeakPolarHBondContact O-CB 3.31Å; T142-H145 PolarHBondContact O-N 2.94Å; T142-H145 VanDerWaalsContact O-N 3.13Å; T142-H145 PolarHBondContact OG1-CD2 3.13Å; L143-H145 VanDerWaalsContact C-N 3.34Å; L143-H145 PolarHBondContact O-N 3.04Å; H145-A148 PolarHBondContact O-N 3.39Å
146I98.7Very high98.2Very high0 Ų051.3 Ų51.30%028%0.282CS..Hα-helixtrans-67.1-44.9176.6-55.7169.5000110.6N10 V11 T122 F130 I140 L143 D144 A148 L149 L164N10-I146 HydrophobicContact CB-CG2 4.04Å; N10-I146 VanDerWaalsContact CB-O 3.29Å; N10-I146 WeakPolarHBondContact CB-O 3.14Å; N10-I146 PolarHBondContact ND2-O 3.08Å; V11-I146 HydrophobicContact CG2-CB 3.72Å; V11-I146 HydrophobicContact CG2-CG2 3.65Å; T122-I146 HydrophobicContact CG2-CD1 4.44Å; T122-I146 HydrophobicContact CG2-CG2 4.14Å; F130-I146 HydrophobicContact CE2-CD1 3.74Å; F130-I146 HydrophobicContact CZ-CD1 3.44Å; F130-I146 VanDerWaalsContact CZ-CD1 3.44Å; I140-I146 HydrophobicContact CD1-CG1 3.99Å; I140-I146 HydrophobicContact CG2-CD1 4.01Å; I140-I146 HydrophobicContact CG2-CG1 3.56Å; L143-I146 HydrophobicContact CD2-CD1 4.1Å; L143-I146 WeakPolarHBondContact O-CB 3.25Å; L143-I146 PolarHBondContact O-N 3.28Å; D144-I146 PolarHBondContact O-N 2.8Å; I146-A148 PolarHBondContact O-N 2.99Å; I146-L149 PolarHBondContact O-N 2.87Å; I146-L149 VanDerWaalsContact O-N 3.14Å; I146-L164 HydrophobicContact CD1-CD2 4.34Å; I146-L164 HydrophobicContact CG1-CD1 4.27Å; I146-L164 HydrophobicContact CG2-CD1 4.06Å
147R98.6Very high97.9Very high95 Ų9557.8 Ų57.836%0.35831%0.312SS..Hα-helixtrans-57-30.9177.7-68.6-179.5-178.8108.82.4112.6V11 E13 L143 D144V11-R147 HydrophobicContact CB-CG 3.96Å; V11-R147 HydrophobicContact CG2-CG 3.65Å; E13-R147 IonicContact OE1-NH2 2.77Å; L143-R147 WeakPolarHBondContact O-CG 3.47Å; L143-R147 PolarHBondContact O-N 2.65Å; D144-R147 PolarHBondContact O-N 3.48Å; D144-R147 IonicContact OD1-CZ 2.6Å; D144-R147 IonicContact OD1-NH1 3.73Å; D144-R147 PolarHBondContact OD1-NH1 3.37Å
148A98.4Very high97.8Very high84 Ų8465.6 Ų65.669%0.69435%0.348SS*.THydrogen-bonded Turntrans-83.4-10.2-178.800000115.1D144 H145 I146D144-A148 PolarHBondContact O-N 3.3Å; D144-A148 VanDerWaalsContact O-N 3.13Å; H145-A148 PolarHBondContact O-N 3.39Å; I146-A148 PolarHBondContact O-N 2.99Å
149L98.5Very high97.8Very high38 Ų3864.4 Ų64.420%0.19935%0.345CS..SBendtrans-65.2138.1-179-63.2175.2000111.9N10 L121 I140 I146 R151 P160 L164N10-L149 PolarHBondContact ND2-O 3.27Å; L121-L149 HydrophobicContact CD1-CB 4.34Å; L121-L149 HydrophobicContact CD1-CD1 3.86Å; I140-L149 HydrophobicContact CD1-CD1 4.43Å; I146-L149 PolarHBondContact O-N 2.87Å; I146-L149 VanDerWaalsContact O-N 3.14Å; L149-R151 PolarHBondContact O-N 2.82Å; L149-P160 HydrophobicContact CD1-CB 4.32Å; L149-P160 HydrophobicContact CD2-CB 3.99Å; L149-P160 HydrophobicContact CD2-CG 3.67Å; L149-L164 HydrophobicContact CD1-CD1 3.86Å
150D97.9Very high97.8Very high106 Ų10662.9 Ų62.957%0.56733%0.333SS*.  trans-78.499.9166-176.57.8000109.2L152 Q153D150-L152 PolarHBondContact OD1-N 2.81Å; D150-Q153 PolarHBondContact O-NE2 2.96Å
151R97.9Very high97.8Very high24 Ų2462.9 Ų62.99%0.09133%0.333CS..  trans-85.4-14.9-179.670161-179.9-68.60.1114.2L5 E8 N10 R81 Y118 L119 L121 L149 Q153L5-R151 PolarHBondContact O-NH2 3.42Å; E8-R151 PolarHBondContact O-NH1 3.18Å; E8-R151 PolarHBondContact O-NH2 3.26Å; N10-R151 WeakPolarHBondContact OD1-CB 3.33Å; N10-R151 WeakPolarHBondContact OD1-CD 3.35Å; N10-R151 WeakPolarHBondContact OD1-CG 3.3Å; N10-R151 PolarHBondContact OD1-NH1 3.48Å; R81-R151 PolarHBondContact NH1-O 3.5Å; Y118-R151 PolarHBondContact O-NE 3.22Å; Y118-R151 VanDerWaalsContact O-NE 3.08Å; L119-R151 WeakPolarHBondContact O-CD 3.39Å; L121-R151 HydrophobicContact CD1-CB 4.12Å; L121-R151 HydrophobicContact CD2-CB 4.3Å; L121-R151 HydrophobicContact CG-CB 4.1Å; L149-R151 PolarHBondContact O-N 2.82Å; R151-Q153 PolarHBondContact O-N 3.44Å
152L98Very high97.9Very high80 Ų8057.8 Ų57.842%0.41931%0.306SS..SBendtrans-80.252.6-168.8-62.2-175.4000111.9D117 Y118 D150D117-L152 WeakPolarHBondContact O-CD2 3.26Å; Y118-L152 HydrophobicContact CD1-CD2 3.61Å; Y118-L152 HydrophobicContact CE1-CD1 4.44Å; Y118-L152 HydrophobicContact CE1-CD2 3.95Å; Y118-L152 HydrophobicContact CG-CD2 3.95Å; D150-L152 PolarHBondContact OD1-N 2.81Å
153Q98Very high97.9Very high82 Ų8255.8 Ų55.838%0.38329%0.294SS..SBendtrans-151.2167.2-176.758-178-47.900110.2R81 D117 D150 R151 M161R81-Q153 PolarHBondContact NH1-O 2.92Å; R81-Q153 PolarHBondContact NH2-O 3.49Å; D117-Q153 VanDerWaalsContact OD1-O 3.07Å; D150-Q153 PolarHBondContact O-NE2 2.96Å; R151-Q153 PolarHBondContact O-N 3.44Å; Q153-M161 HydrophobicContact CG-SD 4.35Å
154E98.1Very high97.9Very high42 Ų4255.4 Ų55.420%0.19629%0.291CS..PPolyproline II helixtrans-57.9145.3165.4-176.361.6-16600109.9S86 R87 Q88 P156S86-E154 WeakPolarHBondContact CB-OE1 3.22Å; R87-E154 WeakPolarHBondContact CB-OE2 3.26Å; R87-E154 WeakPolarHBondContact CD-OE2 3.47Å; R87-E154 VanDerWaalsContact CG-OE2 3.24Å; R87-E154 WeakPolarHBondContact CG-OE2 3.47Å; R87-E154 IonicContact CZ-OE2 3.74Å; R87-E154 PolarHBondContact N-OE1 3.38Å; R87-E154 PolarHBondContact N-OE2 2.78Å; R87-E154 IonicContact NE-OE2 3.96Å; R87-E154 IonicContact NH1-OE2 2.77Å; R87-E154 PolarHBondContact NH1-OE2 3.22Å; Q88-E154 PolarHBondContact N-OE1 3.26Å; E154-P156 VanDerWaalsContact O-CD 3.24Å; E154-P156 WeakPolarHBondContact O-CD 3.45Å
155V97.8Very high97.9Very high7 Ų750.5 Ų50.54%0.04227%0.265CS..PPolyproline II helixtrans-58.4120.8176.3-176.90000109.3M161 L165V155-M161 HydrophobicContact CG2-CE 4.04Å; V155-L165 HydrophobicContact CB-CD1 4.45Å; V155-L165 HydrophobicContact CG1-CD1 3.89Å; V155-L165 HydrophobicContact CG2-CD1 3.62Å
156P97.3Very high97.9Very high42 Ų4248.6 Ų48.627%0.27326%0.255SS..PPolyproline II helixtrans-63.9159.5176.4-22.734.7000112E154 E158 C162E154-P156 VanDerWaalsContact O-CD 3.24Å; E154-P156 WeakPolarHBondContact O-CD 3.45Å; P156-E158 VanDerWaalsContact C-N 3.28Å; P156-E158 WeakPolarHBondContact CB-O 3.37Å; P156-E158 PolarHBondContact O-N 2.8Å; P156-C162 WeakPolarHBondContact O-CB 3.49Å
157H93.6Very high97.9Very high139 Ų13948.6 Ų48.664%0.64426%0.255SS*.SBendtrans-70.2-24175.8-67.9-71.5000113.4Q88 C162Q88-H157 VanDerWaalsContact CD-CE1 3.45Å; Q88-H157 PolarHBondContact NE2-CE1 2.89Å; Q88-H157 PolarHBondContact NE2-NE2 3.08Å; Q88-H157 VanDerWaalsContact NE2-NE2 3.1Å; Q88-H157 PolarHBondContact OE1-CE1 3.24Å; H157-C162 PolarHBondContact O-SG 2.89Å; H157-C162 VanDerWaalsContact O-SG 3.34Å
158E95.7Very high97.9Very high165 Ų16544.4 Ų44.477%0.77124%0.24SC*.SBendtrans-147.4169-178.764.9-179.4-171.600111.2P156P156-E158 VanDerWaalsContact C-N 3.28Å; P156-E158 WeakPolarHBondContact CB-O 3.37Å; P156-E158 PolarHBondContact O-N 2.8Å
159G97.8Very high97.9Very high23 Ų2341.4 Ų41.424%0.23721%0.213CC..SBendtrans92.4-178.6176.400000113.7M161 C162 D163G159-M161 VanDerWaalsContact C-N 3.32Å; G159-M161 PolarHBondContact O-N 2.85Å; G159-M161 VanDerWaalsContact O-N 3.12Å; G159-C162 WeakPolarHBondContact O-CA 3.17Å; G159-C162 VanDerWaalsContact O-CB 3.31Å; G159-C162 WeakPolarHBondContact O-CB 3.4Å; G159-C162 PolarHBondContact O-N 3.12Å; G159-D163 PolarHBondContact O-N 3.05Å
160P98.2Very high97.9Very high39 Ų3941.1 Ų41.125%0.25321%0.212SC..Hα-helixtrans-58.2-37.7-162.318-31.8000114.4I140 L149 D163 L164I140-P160 HydrophobicContact CD1-CB 3.65Å; I140-P160 HydrophobicContact CG1-CB 3.8Å; L149-P160 HydrophobicContact CD1-CB 4.32Å; L149-P160 HydrophobicContact CD2-CB 3.99Å; L149-P160 HydrophobicContact CD2-CG 3.67Å; P160-D163 PolarHBondContact O-N 3.25Å; P160-L164 VanDerWaalsContact O-CG 3.26Å; P160-L164 WeakPolarHBondContact O-CG 3.36Å; P160-L164 PolarHBondContact O-N 2.98Å
161M98.6Very high97.8Very high8 Ų843.5 Ų43.54%0.03922%0.224CC..Hα-helixtrans-69.4-38.1177.1-176.8-179.2172.800112.3L121 Q153 V155 G159 L165L121-M161 HydrophobicContact CD1-CG 4.18Å; L121-M161 HydrophobicContact CD2-CE 3.98Å; L121-M161 HydrophobicContact CD2-CG 4.1Å; Q153-M161 HydrophobicContact CG-SD 4.35Å; V155-M161 HydrophobicContact CG2-CE 4.04Å; G159-M161 VanDerWaalsContact C-N 3.32Å; G159-M161 PolarHBondContact O-N 2.85Å; G159-M161 VanDerWaalsContact O-N 3.12Å; M161-L165 WeakPolarHBondContact O-CG 3.44Å
162C98.5Very high97.7Very high1 Ų150.3 Ų50.31%0.00725%0.25CS..Hα-helixtrans-63.5-48.8173.7-177.60000109.9P156 H157 G159 L164 L165 W166P156-C162 WeakPolarHBondContact O-CB 3.49Å; H157-C162 PolarHBondContact O-SG 2.89Å; H157-C162 VanDerWaalsContact O-SG 3.34Å; G159-C162 WeakPolarHBondContact O-CA 3.17Å; G159-C162 VanDerWaalsContact O-CB 3.31Å; G159-C162 WeakPolarHBondContact O-CB 3.4Å; G159-C162 PolarHBondContact O-N 3.12Å; C162-L164 VanDerWaalsContact C-N 3.34Å; C162-L164 PolarHBondContact O-N 3.49Å; C162-L165 PolarHBondContact O-N 3.37Å; C162-W166 WeakPolarHBondContact O-CB 3.1Å; C162-W166 VanDerWaalsContact O-CD1 3.31Å; C162-W166 PolarHBondContact O-N 3.21Å
163D98.7Very high97.6Very high3 Ų349.5 Ų49.52%0.01626%0.261CS..Hα-helixtrans-58.2-43.8-177.9-58.3-20.2000112.5S137 G159 P160 L165 W166 S167 Y184S137-D163 VanDerWaalsContact CB-CB 3.47Å; S137-D163 WeakPolarHBondContact CB-OD2 3.35Å; S137-D163 PolarHBondContact OG-OD2 3.12Å; G159-D163 PolarHBondContact O-N 3.05Å; P160-D163 PolarHBondContact O-N 3.25Å; D163-L165 PolarHBondContact O-N 2.74Å; D163-W166 PolarHBondContact O-N 3.38Å; D163-S167 WeakPolarHBondContact CA-OG 3.23Å; D163-S167 WeakPolarHBondContact O-CB 3.45Å; D163-S167 PolarHBondContact O-N 3.24Å; D163-S167 PolarHBondContact O-OG 3.25Å; D163-Y184 WeakPolarHBondContact OD1-CD2 3.29Å; D163-Y184 WeakPolarHBondContact OD1-CE2 3.23Å
164L98.9Very high97.6Very high2 Ų246.5 Ų46.51%0.0125%0.252CS..Hα-helixtrans-60.4-25.8177.5-73.4174.3000113.5L121 T122 L132 G134 G135 I140 I146 L149 P160 C162L121-L164 HydrophobicContact CD1-CD1 4.3Å; T122-L164 HydrophobicContact CG2-CD1 4.37Å; T122-L164 HydrophobicContact CG2-CD2 4.43Å; L132-L164 HydrophobicContact CD1-CD2 3.89Å; G134-L164 CarbonylContact C-O 3.57Å; G134-L164 WeakPolarHBondContact CA-O 3.25Å; G134-L164 PolarHBondContact N-O 3.26Å; G135-L164 PolarHBondContact N-O 2.84Å; G135-L164 WeakPolarHBondContact O-CA 3.32Å; I140-L164 HydrophobicContact CD1-CD1 3.77Å; I140-L164 HydrophobicContact CD1-CD2 3.91Å; I140-L164 HydrophobicContact CD1-CG 3.76Å; I146-L164 HydrophobicContact CD1-CD2 4.34Å; I146-L164 HydrophobicContact CG1-CD1 4.27Å; I146-L164 HydrophobicContact CG2-CD1 4.06Å; L149-L164 HydrophobicContact CD1-CD1 3.86Å; P160-L164 VanDerWaalsContact O-CG 3.26Å; P160-L164 WeakPolarHBondContact O-CG 3.36Å; P160-L164 PolarHBondContact O-N 2.98Å; C162-L164 VanDerWaalsContact C-N 3.34Å; C162-L164 PolarHBondContact O-N 3.49Å
165L98.8Very high97.7Very high0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-99.6-20-177.9-59.5-178.1000113.1R81 N83 H133 V155 M161 C162 D163R81-L165 HydrophobicContact CB-CD2 4.42Å; R81-L165 HydrophobicContact CG-CD1 4.45Å; R81-L165 WeakPolarHBondContact O-CD2 3.38Å; N83-L165 HydrophobicContact CB-CB 4.16Å; H133-L165 HydrophobicContact CB-CD2 4.16Å; H133-L165 PolarHBondContact CD2-O 3Å; V155-L165 HydrophobicContact CB-CD1 4.45Å; V155-L165 HydrophobicContact CG1-CD1 3.89Å; V155-L165 HydrophobicContact CG2-CD1 3.62Å; M161-L165 WeakPolarHBondContact O-CG 3.44Å; C162-L165 PolarHBondContact O-N 3.37Å; D163-L165 PolarHBondContact O-N 2.74Å
166W98.8Very high97.7Very high41 Ų4149.6 Ų49.616%0.15527%0.268CS..Hα-helixtrans-122.6-14.3-169.9-74.897.2000115.9N83 I89 C162 D163 R180 A182 H207N83-W166 HydrophobicContact CB-CD2 3.93Å; N83-W166 VanDerWaalsContact CB-CE2 3.48Å; N83-W166 HydrophobicContact CB-CG 4.33Å; N83-W166 HydrophobicContact CB-CH2 4.38Å; N83-W166 HydrophobicContact CB-CZ2 3.73Å; N83-W166 WeakPolarHBondContact ND2-CH2 3.39Å; N83-W166 WeakPolarHBondContact ND2-CZ2 3.37Å; N83-W166 WeakPolarHBondContact ND2-CZ3 3.17Å; I89-W166 HydrophobicContact CD1-CH2 3.83Å; I89-W166 HydrophobicContact CD1-CZ2 3.7Å; I89-W166 HydrophobicContact CG1-CH2 4.42Å; I89-W166 HydrophobicContact CG1-CZ2 3.96Å; C162-W166 WeakPolarHBondContact O-CB 3.1Å; C162-W166 VanDerWaalsContact O-CD1 3.31Å; C162-W166 PolarHBondContact O-N 3.21Å; D163-W166 PolarHBondContact O-N 3.38Å; W166-R180 HydrophobicContact CE3-CB 4.27Å; W166-R180 HydrophobicContact CZ3-CB 4.5Å; W166-A182 HydrophobicContact CB-CB 4.04Å; W166-A182 HydrophobicContact CD2-CB 3.8Å; W166-A182 HydrophobicContact CE3-CB 4.18Å; W166-A182 HydrophobicContact CG-CB 3.75Å; W166-H207 AromaticContact CE3-CE1 3.83Å; W166-H207 PolarHBondContact O-NE2 3.3Å
167S98.8Very high97.6Very high0 Ų055 Ų550%029%0.293CS..  trans-74.2152.8-174.9-57.70000112.7G134 G135 L136 D163 Y184 R205G134-S167 CarbonylContact C-O 3.5Å; G135-S167 PolarHBondContact N-O 3Å; L136-S167 WeakPolarHBondContact O-CB 3.44Å; L136-S167 PolarHBondContact O-OG 3.26Å; D163-S167 WeakPolarHBondContact CA-OG 3.23Å; D163-S167 WeakPolarHBondContact O-CB 3.45Å; D163-S167 PolarHBondContact O-N 3.24Å; D163-S167 PolarHBondContact O-OG 3.25Å; S167-Y184 CarbonylContact C-O 3.58Å; S167-Y184 WeakPolarHBondContact CA-O 3.13Å; S167-Y184 WeakPolarHBondContact CB-O 3.09Å; S167-Y184 PolarHBondContact OG-N 2.77Å; S167-Y184 PolarHBondContact OG-O 3.25Å; S167-R205 PolarHBondContact O-NH2 2.87Å
168D98.8Very high97.7Very high7 Ų748.7 Ų48.74%0.03726%0.264CS..EExtended strand (participates in β ladder)trans-129145.1-177.9-70.6-47000112.4R180 Y184 T185 F186 R205 H207 Q208D168-R180 IonicContact OD1-CZ 3.12Å; D168-R180 IonicContact OD1-NE 3.55Å; D168-R180 IonicContact OD1-NH2 3.89Å; D168-R180 PolarHBondContact OD1-NH2 3.26Å; D168-R180 IonicContact OD2-CZ 3.8Å; D168-R180 VanDerWaalsContact OD2-CZ 3.28Å; D168-R180 IonicContact OD2-NE 3.64Å; D168-R180 PolarHBondContact OD2-NE 2.9Å; D168-R180 IonicContact OD2-NH2 3.49Å; D168-R180 PolarHBondContact OD2-NH2 3.43Å; D168-Y184 PolarHBondContact N-O 2.91Å; D168-T185 CarbonylContact O-C 3.56Å; D168-T185 WeakPolarHBondContact O-CA 3.27Å; D168-F186 WeakPolarHBondContact O-CD1 3.26Å; D168-F186 WeakPolarHBondContact O-CE1 3.5Å; D168-F186 PolarHBondContact O-N 2.96Å; D168-R205 IonicContact OD1-CZ 3.75Å; D168-R205 IonicContact OD1-NH1 2.8Å; D168-R205 PolarHBondContact OD1-NH1 2.68Å; D168-R205 IonicContact OD1-NH2 2.65Å; D168-H207 IonicContact OD1-CD2 3.58Å; D168-H207 PolarHBondContact OD1-CD2 2.72Å; D168-Q208 VanDerWaalsContact CG-NE2 3.33Å; D168-Q208 WeakPolarHBondContact OD1-CG 3.49Å; D168-Q208 PolarHBondContact OD1-NE2 2.99Å
169P98.4Very high97.6Very high20 Ų2046.5 Ų46.513%0.1326%0.264CS..EExtended strand (participates in β ladder)trans-67.2149.5167.629.8-33.7000111.3F186 R205P169-F186 CarbonylContact C-O 3.54Å; P169-F186 WeakPolarHBondContact CA-O 3.18Å; P169-F186 HydrophobicContact CB-CE1 4.38Å; P169-F186 HydrophobicContact CB-CE2 4.07Å; P169-F186 HydrophobicContact CB-CZ 3.89Å; P169-F186 HydrophobicContact CG-CZ 4.45Å; P169-F186 VanDerWaalsContact N-CE1 3.34Å; P169-R205 VanDerWaalsContact CD-NH1 3.32Å
170D97.4Very high97.4Very high33 Ų3350 Ų5018%0.17627%0.27CS..  trans-143.1144.3179.6-172.9-46.3000109.4R172 T185 F186 G187 H218D170-R172 PolarHBondContact O-N 2.97Å; D170-R172 VanDerWaalsContact OD1-CB 3.3Å; D170-R172 WeakPolarHBondContact OD1-CB 3.16Å; D170-R172 WeakPolarHBondContact OD1-CG 3.37Å; D170-R172 IonicContact OD1-CZ 3.95Å; D170-R172 PolarHBondContact OD1-N 2.83Å; D170-R172 IonicContact OD1-NE 3.07Å; D170-R172 PolarHBondContact OD1-NE 2.91Å; D170-R172 VanDerWaalsContact OD1-NE 3.07Å; D170-R172 IonicContact OD1-NH2 3.95Å; D170-R172 IonicContact OD2-CZ 3.42Å; D170-R172 IonicContact OD2-NE 3.26Å; D170-R172 PolarHBondContact OD2-NE 3.19Å; D170-R172 IonicContact OD2-NH2 2.73Å; D170-R172 PolarHBondContact OD2-NH2 2.79Å; D170-T185 HydrophobicContact CB-CG2 4.31Å; D170-F186 PolarHBondContact N-O 3.49Å; D170-G187 WeakPolarHBondContact O-CA 3.36Å; D170-H218 PolarHBondContact O-NE2 3.44Å
171D95.4Very high97.1Very high155 Ų15551.7 Ų51.783%0.82930%0.295SS*.SBendtrans-67.2-16.8-179.8-65.2-32.3000112.6
172R96Very high97Very high168 Ų16852.2 Ų52.263%0.63430%0.3SS*.SBendtrans-78.6133.7175.3-64.7175.9-69.5-1753.1110.6D170 G187D170-R172 PolarHBondContact O-N 2.97Å; D170-R172 VanDerWaalsContact OD1-CB 3.3Å; D170-R172 WeakPolarHBondContact OD1-CB 3.16Å; D170-R172 WeakPolarHBondContact OD1-CG 3.37Å; D170-R172 IonicContact OD1-CZ 3.95Å; D170-R172 PolarHBondContact OD1-N 2.83Å; D170-R172 IonicContact OD1-NE 3.07Å; D170-R172 PolarHBondContact OD1-NE 2.91Å; D170-R172 VanDerWaalsContact OD1-NE 3.07Å; D170-R172 IonicContact OD1-NH2 3.95Å; D170-R172 IonicContact OD2-CZ 3.42Å; D170-R172 IonicContact OD2-NE 3.26Å; D170-R172 PolarHBondContact OD2-NE 3.19Å; D170-R172 IonicContact OD2-NH2 2.73Å; D170-R172 PolarHBondContact OD2-NH2 2.79Å; R172-G187 WeakPolarHBondContact O-CA 3.44Å
173G96.9Very high97Very high62 Ų6252.8 Ų52.864%0.63931%0.307SS*.SBendtrans-63.9152175.500000113.7D189G173-D189 VanDerWaalsContact CA-OD1 3.23Å; G173-D189 WeakPolarHBondContact CA-OD1 3.44Å
174G98.3Very high96.9Very high19 Ų1957 Ų5720%0.19632%0.323CS..SBendtrans79.1-160.2179.800000113.8F186 G187 D189G174-F186 CarbonylContact O-C 3.14Å; G174-F186 WeakPolarHBondContact O-CA 3.23Å; G174-G187 PolarHBondContact O-N 3.02Å; G174-D189 PolarHBondContact N-OD1 3.19Å; G174-D189 PolarHBondContact N-OD2 3.39Å
175W98.4Very high96.9Very high94 Ų9457.3 Ų57.336%0.35633%0.325SS..EExtended strand (participates in β ladder)trans-96.5142176.1-63.699.7000111.2L136 S137 P138 Y184 T185 F186 I190L136-W175 VanDerWaalsContact C-CH2 3.48Å; L136-W175 HydrophobicContact CB-CH2 3.67Å; L136-W175 HydrophobicContact CB-CZ3 4.36Å; L136-W175 WeakPolarHBondContact O-CZ3 3.31Å; S137-W175 VanDerWaalsContact C-CZ2 3.47Å; S137-W175 WeakPolarHBondContact O-CH2 3.1Å; P138-W175 VanDerWaalsContact CA-CZ2 3.46Å; P138-W175 HydrophobicContact CB-CD2 3.91Å; P138-W175 HydrophobicContact CB-CE3 4.37Å; P138-W175 HydrophobicContact CB-CG 4.25Å; P138-W175 HydrophobicContact CB-CZ2 4.07Å; P138-W175 HydrophobicContact CG-CD2 4.46Å; P138-W175 HydrophobicContact CG-CE3 4.47Å; P138-W175 VanDerWaalsContact N-CH2 3.31Å; W175-Y184 HydrophobicContact CE3-CG 4.33Å; W175-T185 CarbonylContact C-O 3.48Å; W175-T185 WeakPolarHBondContact CA-O 3.36Å; W175-F186 HydrophobicContact CD2-CB 4.43Å; W175-F186 HydrophobicContact CE3-CB 3.7Å; W175-F186 HydrophobicContact CH2-CB 4.1Å; W175-F186 HydrophobicContact CZ3-CB 3.53Å; W175-F186 HydrophobicContact CZ3-CD1 4.48Å; W175-F186 HydrophobicContact CZ3-CG 4.3Å; W175-I190 HydrophobicContact CD2-CG1 4.43Å; W175-I190 HydrophobicContact CH2-CG2 3.67Å; W175-I190 HydrophobicContact CZ2-CG2 3.29Å; W175-I190 HydrophobicContact CZ3-CG2 4.44Å
176G97.8Very high96.9Very high21 Ų2157.3 Ų57.322%0.21633%0.325CS..EExtended strand (participates in β ladder)trans-129.1162.5173.500000112.8S178 Y184 T185G176-S178 PolarHBondContact O-N 3.48Å; G176-Y184 WeakPolarHBondContact O-CA 3.4Å; G176-Y184 WeakPolarHBondContact O-CB 3.46Å; G176-Y184 WeakPolarHBondContact O-CD1 3.18Å; G176-T185 VanDerWaalsContact CA-OG1 3.23Å; G176-T185 WeakPolarHBondContact CA-OG1 3.5Å; G176-T185 PolarHBondContact N-O 2.76Å; G176-T185 PolarHBondContact N-OG1 3.19Å; G176-T185 PolarHBondContact O-N 3.01Å
177I95.9Very high96.9Very high156 Ų15655.3 Ų55.380%0.832%0.317SS*.EExtended strand (participates in β ladder)trans-73.2126.5174.4-62.9174000108.5
178S95.8Very high96.9Very high6 Ų658.9 Ų58.94%0.04233%0.334CS..  trans-66.6131.6177.6177.30000111.5G176 R180 G181 A182 G183G176-S178 PolarHBondContact O-N 3.48Å; S178-R180 PolarHBondContact O-N 3.03Å; S178-R180 WeakPolarHBondContact OG-CB 3.33Å; S178-R180 PolarHBondContact OG-N 3.26Å; S178-G181 PolarHBondContact O-N 2.93Å; S178-A182 WeakPolarHBondContact CB-O 3.12Å; S178-A182 PolarHBondContact OG-O 3.2Å; S178-G183 WeakPolarHBondContact CB-O 3.46Å
179P93.8Very high96.9Very high118 Ų11861.8 Ų61.877%0.76635%0.349SS*.THydrogen-bonded Turntrans-68.7-10.6173.431-35.5000112.6G181P179-G181 PolarHBondContact O-N 3.3Å
180R93Very high96.9Very high97 Ų9762.1 Ų62.137%0.36635%0.35SS..THydrogen-bonded Turntrans-73.6-15176.9-56.8-173.5-177.3-107.513.8113.3W166 D168 S178 A182 H207W166-R180 HydrophobicContact CE3-CB 4.27Å; W166-R180 HydrophobicContact CZ3-CB 4.5Å; D168-R180 IonicContact OD1-CZ 3.12Å; D168-R180 IonicContact OD1-NE 3.55Å; D168-R180 IonicContact OD1-NH2 3.89Å; D168-R180 PolarHBondContact OD1-NH2 3.26Å; D168-R180 IonicContact OD2-CZ 3.8Å; D168-R180 VanDerWaalsContact OD2-CZ 3.28Å; D168-R180 IonicContact OD2-NE 3.64Å; D168-R180 PolarHBondContact OD2-NE 2.9Å; D168-R180 IonicContact OD2-NH2 3.49Å; D168-R180 PolarHBondContact OD2-NH2 3.43Å; S178-R180 PolarHBondContact O-N 3.03Å; S178-R180 WeakPolarHBondContact OG-CB 3.33Å; S178-R180 PolarHBondContact OG-N 3.26Å; R180-A182 PolarHBondContact O-N 2.96Å; R180-H207 WeakPolarHBondContact CD-NE2 3.09Å; R180-H207 PolarHBondContact NE-NE2 3.01Å; R180-H207 VanDerWaalsContact NE-NE2 3.13Å; R180-H207 PolarHBondContact NH1-NE2 3.36Å; R180-H207 PolarHBondContact NH2-CD2 2.96Å; R180-H207 VanDerWaalsContact NH2-CD2 3.32Å; R180-H207 PolarHBondContact NH2-NE2 2.96Å
181G93.1Very high97Very high75 Ų7560.6 Ų60.677%0.77334%0.341SS*.SBendtrans77.27.7-171.600000114.2S178 P179S178-G181 PolarHBondContact O-N 2.93Å; P179-G181 PolarHBondContact O-N 3.3Å
182A95.9Very high97.1Very high18 Ų1856.9 Ų56.915%0.14932%0.319CS..SBendtrans-147.8147174.700000109.5W166 S178 R180W166-A182 HydrophobicContact CB-CB 4.04Å; W166-A182 HydrophobicContact CD2-CB 3.8Å; W166-A182 HydrophobicContact CE3-CB 4.18Å; W166-A182 HydrophobicContact CG-CB 3.75Å; S178-A182 WeakPolarHBondContact CB-O 3.12Å; S178-A182 PolarHBondContact OG-O 3.2Å; R180-A182 PolarHBondContact O-N 2.96Å
183G97.3Very high97.3Very high14 Ų1453.4 Ų53.414%0.14432%0.317CS..SBendtrans66.8-164.1-174.200000114.1S178S178-G183 WeakPolarHBondContact CB-O 3.46Å
184Y98.4Very high97.4Very high90 Ų9051.1 Ų51.135%0.35329%0.29SS..EExtended strand (participates in β ladder)trans-128.5163.8-177.9-67.5-93.8000111.5P138 D163 S167 D168 W175 G176P138-Y184 HydrophobicContact CG-CD1 4.37Å; P138-Y184 HydrophobicContact CG-CD2 3.72Å; P138-Y184 HydrophobicContact CG-CE1 4.25Å; P138-Y184 HydrophobicContact CG-CE2 3.57Å; P138-Y184 HydrophobicContact CG-CG 4.13Å; D163-Y184 WeakPolarHBondContact OD1-CD2 3.29Å; D163-Y184 WeakPolarHBondContact OD1-CE2 3.23Å; S167-Y184 CarbonylContact C-O 3.58Å; S167-Y184 WeakPolarHBondContact CA-O 3.13Å; S167-Y184 WeakPolarHBondContact CB-O 3.09Å; S167-Y184 PolarHBondContact OG-N 2.77Å; S167-Y184 PolarHBondContact OG-O 3.25Å; D168-Y184 PolarHBondContact N-O 2.91Å; W175-Y184 HydrophobicContact CE3-CG 4.33Å; G176-Y184 WeakPolarHBondContact O-CA 3.4Å; G176-Y184 WeakPolarHBondContact O-CB 3.46Å; G176-Y184 WeakPolarHBondContact O-CD1 3.18Å
185T98.7Very high97.4Very high9 Ų950.4 Ų50.46%0.05528%0.281CS..EExtended strand (participates in β ladder)trans-92148.7155.663.20000110.5D168 D170 W175 G176D168-T185 CarbonylContact O-C 3.56Å; D168-T185 WeakPolarHBondContact O-CA 3.27Å; D170-T185 HydrophobicContact CB-CG2 4.31Å; W175-T185 CarbonylContact C-O 3.48Å; W175-T185 WeakPolarHBondContact CA-O 3.36Å; G176-T185 VanDerWaalsContact CA-OG1 3.23Å; G176-T185 WeakPolarHBondContact CA-OG1 3.5Å; G176-T185 PolarHBondContact N-O 2.76Å; G176-T185 PolarHBondContact N-OG1 3.19Å; G176-T185 PolarHBondContact O-N 3.01Å
186F98.8Very high97.4Very high0 Ų053.8 Ų53.80%030%0.301CS..EExtended strand (participates in β ladder)trans-135.5137.7178.663.5-85.1000112.2L136 D168 P169 D170 G174 W175 I190 H218 V222L136-F186 HydrophobicContact CB-CD1 4.48Å; L136-F186 HydrophobicContact CB-CD2 4.47Å; L136-F186 HydrophobicContact CB-CG 4.39Å; L136-F186 HydrophobicContact CD1-CD2 4.11Å; L136-F186 HydrophobicContact CD1-CE2 4.13Å; L136-F186 HydrophobicContact CG-CD2 4.32Å; L136-F186 HydrophobicContact CG-CE2 4.14Å; L136-F186 HydrophobicContact CG-CZ 4.37Å; D168-F186 WeakPolarHBondContact O-CD1 3.26Å; D168-F186 WeakPolarHBondContact O-CE1 3.5Å; D168-F186 PolarHBondContact O-N 2.96Å; P169-F186 CarbonylContact C-O 3.54Å; P169-F186 WeakPolarHBondContact CA-O 3.18Å; P169-F186 HydrophobicContact CB-CE1 4.38Å; P169-F186 HydrophobicContact CB-CE2 4.07Å; P169-F186 HydrophobicContact CB-CZ 3.89Å; P169-F186 HydrophobicContact CG-CZ 4.45Å; P169-F186 VanDerWaalsContact N-CE1 3.34Å; D170-F186 PolarHBondContact N-O 3.49Å; G174-F186 CarbonylContact O-C 3.14Å; G174-F186 WeakPolarHBondContact O-CA 3.23Å; W175-F186 HydrophobicContact CD2-CB 4.43Å; W175-F186 HydrophobicContact CE3-CB 3.7Å; W175-F186 HydrophobicContact CH2-CB 4.1Å; W175-F186 HydrophobicContact CZ3-CB 3.53Å; W175-F186 HydrophobicContact CZ3-CD1 4.48Å; W175-F186 HydrophobicContact CZ3-CG 4.3Å; F186-I190 HydrophobicContact CB-CB 4.16Å; F186-I190 HydrophobicContact CB-CG1 4.41Å; F186-I190 HydrophobicContact CB-CG2 4.03Å; F186-H218 AromaticContact CD2-CE1 3.81Å; F186-H218 AromaticContact CE2-CE1 3.83Å; F186-H218 PolarHBondContact O-CE1 2.89Å; F186-V222 HydrophobicContact CE2-CG2 4.28Å
187G98.7Very high97.4Very high0 Ų055.9 Ų55.90%032%0.316CS..  trans-83.8174.5-179.600000115.1D170 R172 G174 D189 I190 S191 H218D170-G187 WeakPolarHBondContact O-CA 3.36Å; R172-G187 WeakPolarHBondContact O-CA 3.44Å; G174-G187 PolarHBondContact O-N 3.02Å; G187-D189 VanDerWaalsContact C-N 3.33Å; G187-D189 PolarHBondContact O-N 2.85Å; G187-I190 WeakPolarHBondContact O-CB 3.38Å; G187-I190 PolarHBondContact O-N 2.9Å; G187-I190 VanDerWaalsContact O-N 3.16Å; G187-S191 PolarHBondContact O-N 2.91Å; G187-H218 PolarHBondContact O-CE1 3.41Å
188Q98.7Very high97.5Very high75 Ų7550 Ų5035%0.3529%0.286SS..Hα-helixtrans-55.7-44.6176.7174.2169.1-17.600112.9I190 S191 E192 H218Q188-I190 PolarHBondContact O-N 3.47Å; Q188-S191 PolarHBondContact O-N 3.42Å; Q188-S191 VanDerWaalsContact O-N 3.13Å; Q188-S191 PolarHBondContact O-OG 3.36Å; Q188-E192 HydrophobicContact CG-CG 4.17Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.01Å; Q188-E192 PolarHBondContact NE2-OE1 2.86Å; Q188-E192 WeakPolarHBondContact O-CG 3.24Å; Q188-E192 PolarHBondContact O-N 3.2Å; Q188-H218 VanDerWaalsContact CA-CG 3.49Å; Q188-H218 HydrophobicContact CB-CB 3.89Å; Q188-H218 HydrophobicContact CG-CB 3.89Å
189D98.6Very high97.7Very high67 Ų6752.3 Ų52.336%0.35831%0.31SS..Hα-helixtrans-56.4-36.2178.159.8-54.1000112.8G173 G174 G187 T193G173-D189 VanDerWaalsContact CA-OD1 3.23Å; G173-D189 WeakPolarHBondContact CA-OD1 3.44Å; G174-D189 PolarHBondContact N-OD1 3.19Å; G174-D189 PolarHBondContact N-OD2 3.39Å; G187-D189 VanDerWaalsContact C-N 3.33Å; G187-D189 PolarHBondContact O-N 2.85Å; D189-T193 VanDerWaalsContact O-CB 3.26Å; D189-T193 WeakPolarHBondContact O-CB 3.49Å; D189-T193 PolarHBondContact O-N 2.83Å; D189-T193 PolarHBondContact O-OG1 3.33Å
190I98.7Very high97.9Very high28 Ų2847.3 Ų47.314%0.14428%0.277CS..Hα-helixtrans-69.3-48.3177-58.1-53.7000110.5L136 W175 F186 G187 Q188 E192 T193 F194L136-I190 HydrophobicContact CD1-CG2 4.04Å; W175-I190 HydrophobicContact CD2-CG1 4.43Å; W175-I190 HydrophobicContact CH2-CG2 3.67Å; W175-I190 HydrophobicContact CZ2-CG2 3.29Å; W175-I190 HydrophobicContact CZ3-CG2 4.44Å; F186-I190 HydrophobicContact CB-CB 4.16Å; F186-I190 HydrophobicContact CB-CG1 4.41Å; F186-I190 HydrophobicContact CB-CG2 4.03Å; G187-I190 WeakPolarHBondContact O-CB 3.38Å; G187-I190 PolarHBondContact O-N 2.9Å; G187-I190 VanDerWaalsContact O-N 3.16Å; Q188-I190 PolarHBondContact O-N 3.47Å; I190-E192 PolarHBondContact O-N 3.05Å; I190-T193 PolarHBondContact O-N 3.41Å; I190-F194 WeakPolarHBondContact O-CB 3.46Å; I190-F194 PolarHBondContact O-N 2.95Å
191S98.6Very high98.1Very high0 Ų046.3 Ų46.30%028%0.282CS..Hα-helixtrans-65.5-39180580000113.1G187 Q188 F194 N195 H218G187-S191 PolarHBondContact O-N 2.91Å; Q188-S191 PolarHBondContact O-N 3.42Å; Q188-S191 VanDerWaalsContact O-N 3.13Å; Q188-S191 PolarHBondContact O-OG 3.36Å; S191-F194 PolarHBondContact O-N 2.89Å; S191-N195 VanDerWaalsContact O-CB 3.31Å; S191-N195 WeakPolarHBondContact O-CB 3.5Å; S191-N195 VanDerWaalsContact O-CG 3.31Å; S191-N195 PolarHBondContact O-N 3.42Å; S191-H218 WeakPolarHBondContact OG-CB 3.4Å; S191-H218 PolarHBondContact OG-ND1 3.29Å
192E98.6Very high98.4Very high77 Ų7743.1 Ų43.136%0.3625%0.247SC..Hα-helixtrans-64.6-45.4175.7-73.2176.6173.100111.2Q188 I190 N195 H196Q188-E192 HydrophobicContact CG-CG 4.17Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.01Å; Q188-E192 PolarHBondContact NE2-OE1 2.86Å; Q188-E192 WeakPolarHBondContact O-CG 3.24Å; Q188-E192 PolarHBondContact O-N 3.2Å; I190-E192 PolarHBondContact O-N 3.05Å; E192-N195 PolarHBondContact O-N 3.01Å; E192-H196 VanDerWaalsContact O-CB 3.28Å; E192-H196 WeakPolarHBondContact O-CB 3.46Å; E192-H196 PolarHBondContact O-N 3.46Å
193T98.6Very high98.5Very high96 Ų9642.2 Ų42.259%0.58924%0.24SC*.Hα-helixtrans-61.5-46.5177.7-61.10000111.1D189 I190 H196 A197D189-T193 VanDerWaalsContact O-CB 3.26Å; D189-T193 WeakPolarHBondContact O-CB 3.49Å; D189-T193 PolarHBondContact O-N 2.83Å; D189-T193 PolarHBondContact O-OG1 3.33Å; I190-T193 PolarHBondContact O-N 3.41Å; T193-H196 PolarHBondContact O-N 2.62Å; T193-A197 VanDerWaalsContact O-CB 3.25Å; T193-A197 WeakPolarHBondContact O-CB 3.08Å; T193-A197 PolarHBondContact O-N 3.11Å
194F98.8Very high98.6Very high14 Ų1441.6 Ų41.66%0.06123%0.233CC..Hα-helixtrans-63.8-46179.4-174.7-92.7000111.7F130 L136 I140 L143 I190 S191 A197 N198 L200F130-F194 AromaticContact CD1-CE1 3.76Å; F130-F194 HydrophobicContact CD1-CE1 3.76Å; F130-F194 HydrophobicContact CD1-CZ 4.43Å; F130-F194 AromaticContact CE1-CE1 3.84Å; F130-F194 HydrophobicContact CE1-CE1 3.84Å; F130-F194 HydrophobicContact CE1-CZ 4.1Å; F130-F194 HydrophobicContact CG-CE1 4.37Å; F130-F194 HydrophobicContact CZ-CZ 4.43Å; L136-F194 HydrophobicContact CD1-CB 3.73Å; L136-F194 HydrophobicContact CD1-CD1 4.26Å; L136-F194 HydrophobicContact CD1-CG 3.96Å; L136-F194 HydrophobicContact CD2-CD1 3.69Å; L136-F194 HydrophobicContact CD2-CD2 4.27Å; L136-F194 HydrophobicContact CD2-CE1 3.82Å; L136-F194 HydrophobicContact CD2-CE2 4.39Å; L136-F194 HydrophobicContact CD2-CG 3.92Å; L136-F194 HydrophobicContact CD2-CZ 4.17Å; I140-F194 HydrophobicContact CG2-CE2 4.24Å; L143-F194 HydrophobicContact CD2-CE1 4.44Å; L143-F194 HydrophobicContact CD2-CZ 4.11Å; I190-F194 WeakPolarHBondContact O-CB 3.46Å; I190-F194 PolarHBondContact O-N 2.95Å; S191-F194 PolarHBondContact O-N 2.89Å; F194-A197 PolarHBondContact O-N 2.88Å; F194-N198 WeakPolarHBondContact O-CB 3.43Å; F194-N198 PolarHBondContact O-N 2.91Å; F194-N198 VanDerWaalsContact O-N 3.11Å; F194-N198 PolarHBondContact O-ND2 2.93Å; F194-L200 HydrophobicContact CD1-CD1 3.95Å; F194-L200 HydrophobicContact CE1-CD1 3.63Å
195N98.8Very high98.6Very high3 Ų337.3 Ų37.32%0.01622%0.216CC..Hα-helixtrans-60.4-49.1177.9-79.8-11.3000111.1S191 E192 A197 N198 G199 L200 V203 N221S191-N195 VanDerWaalsContact O-CB 3.31Å; S191-N195 WeakPolarHBondContact O-CB 3.5Å; S191-N195 VanDerWaalsContact O-CG 3.31Å; S191-N195 PolarHBondContact O-N 3.42Å; E192-N195 PolarHBondContact O-N 3.01Å; N195-A197 PolarHBondContact O-N 2.74Å; N195-N198 PolarHBondContact O-N 3.06Å; N195-G199 PolarHBondContact O-N 2.78Å; N195-L200 HydrophobicContact CB-CB 4.21Å; N195-L200 PolarHBondContact O-N 2.82Å; N195-V203 VanDerWaalsContact OD1-CG2 3.26Å; N195-V203 WeakPolarHBondContact OD1-CG2 3.31Å; N195-N221 PolarHBondContact ND2-O 2.66Å; N195-N221 PolarHBondContact ND2-OD1 3.07Å; N195-N221 VanDerWaalsContact ND2-OD1 3.16Å
196H98.5Very high98.6Very high166 Ų16636.9 Ų36.977%0.76921%0.214SC*.Hα-helixtrans-60.9-46.5178.8178.3-88.8000112.3E192 T193 N198 G199E192-H196 VanDerWaalsContact O-CB 3.28Å; E192-H196 WeakPolarHBondContact O-CB 3.46Å; E192-H196 PolarHBondContact O-N 3.46Å; T193-H196 PolarHBondContact O-N 2.62Å; H196-N198 PolarHBondContact O-N 3.12Å; H196-G199 PolarHBondContact O-N 3.29Å
197A98.3Very high98.6Very high65 Ų6537.4 Ų37.454%0.53722%0.216SC..Hα-helixtrans-63.8-29.1-178.700000113.2T193 F194 N195T193-A197 VanDerWaalsContact O-CB 3.25Å; T193-A197 WeakPolarHBondContact O-CB 3.08Å; T193-A197 PolarHBondContact O-N 3.11Å; F194-A197 PolarHBondContact O-N 2.88Å; N195-A197 PolarHBondContact O-N 2.74Å
198N98.7Very high98.6Very high32 Ų3239.9 Ų39.917%0.17123%0.228CC..Hα-helixtrans-104.24-177.4-67.8-82000113.6D141 T142 L143 F194 N195 H196 L200D141-N198 PolarHBondContact O-ND2 3.44Å; T142-N198 WeakPolarHBondContact CA-OD1 3.49Å; L143-N198 HydrophobicContact CG-CB 4.24Å; L143-N198 PolarHBondContact N-OD1 3.19Å; F194-N198 WeakPolarHBondContact O-CB 3.43Å; F194-N198 PolarHBondContact O-N 2.91Å; F194-N198 VanDerWaalsContact O-N 3.11Å; F194-N198 PolarHBondContact O-ND2 2.93Å; N195-N198 PolarHBondContact O-N 3.06Å; H196-N198 PolarHBondContact O-N 3.12Å; N198-L200 VanDerWaalsContact C-N 3.28Å; N198-L200 HydrophobicContact CB-CD1 3.75Å; N198-L200 HydrophobicContact CB-CG 3.76Å; N198-L200 PolarHBondContact O-N 3.45Å
199G98.4Very high98.5Very high54 Ų5439.6 Ų39.656%0.55723%0.228SC*.THydrogen-bonded Turntrans6628.1-178.500000114N195 H196N195-G199 PolarHBondContact O-N 2.78Å; H196-G199 PolarHBondContact O-N 3.29Å
200L98.6Very high98.5Very high14 Ų1437.3 Ų37.37%0.07322%0.217CC..  trans-93.2151.9-177.8-53168.8000111L124 Q128 F130 L143 F194 N195 N198L124-L200 HydrophobicContact CD1-CD2 3.49Å; L124-L200 VanDerWaalsContact CD1-CD2 3.49Å; Q128-L200 WeakPolarHBondContact O-CA 3.38Å; F130-L200 HydrophobicContact CB-CD1 3.56Å; F130-L200 HydrophobicContact CB-CD2 4.09Å; F130-L200 HydrophobicContact CB-CG 4.38Å; F130-L200 HydrophobicContact CG-CD1 4.14Å; L143-L200 HydrophobicContact CD1-CD2 4.38Å; F194-L200 HydrophobicContact CD1-CD1 3.95Å; F194-L200 HydrophobicContact CE1-CD1 3.63Å; N195-L200 HydrophobicContact CB-CB 4.21Å; N195-L200 PolarHBondContact O-N 2.82Å; N198-L200 VanDerWaalsContact C-N 3.28Å; N198-L200 HydrophobicContact CB-CD1 3.75Å; N198-L200 HydrophobicContact CB-CG 3.76Å; N198-L200 PolarHBondContact O-N 3.45Å
201T97.9Very high98.4Very high76 Ų7641 Ų4147%0.46623%0.234SC..SBendtrans-100.5-21.1173.259.20000112.6Q128Q128-T201 HydrophobicContact CB-CG2 4.35Å; Q128-T201 PolarHBondContact O-N 2.88Å; Q128-T201 PolarHBondContact O-OG1 3.34Å
202L98.6Very high98.4Very high7 Ų746 Ų464%0.03726%0.258CS..EExtended strand (participates in β ladder)trans-158.8138.7-170.3177.758.6000111.9I129 F130 W216 V223I129-L202 HydrophobicContact CD1-CD2 4.37Å; I129-L202 HydrophobicContact CG1-CB 4.22Å; I129-L202 HydrophobicContact CG1-CD2 4.48Å; I129-L202 HydrophobicContact CG2-CB 4.12Å; I129-L202 HydrophobicContact CG2-CD2 3.95Å; I129-L202 HydrophobicContact CG2-CG 4.05Å; F130-L202 PolarHBondContact N-O 3.19Å; L202-W216 HydrophobicContact CD1-CH2 4.01Å; L202-W216 HydrophobicContact CD1-CZ3 3.49Å; L202-W216 VanDerWaalsContact CD1-CZ3 3.49Å; L202-W216 HydrophobicContact CD2-CH2 4Å; L202-W216 HydrophobicContact CD2-CZ3 4.35Å; L202-V223 HydrophobicContact CD1-CB 4.36Å; L202-V223 HydrophobicContact CD1-CG1 4.02Å; L202-V223 HydrophobicContact CD2-CG1 4.04Å; L202-V223 HydrophobicContact CG-CG1 4.32Å
203V98.9Very high98.4Very high0 Ų042.3 Ų42.30%024%0.241CC..EExtended strand (participates in β ladder)trans-97118.4158.1-177.80000109.1F130 L132 L136 N195 N221 V222 V223F130-V203 HydrophobicContact CD1-CG1 4.26Å; F130-V203 HydrophobicContact CD1-CG2 4.3Å; F130-V203 CarbonylContact O-C 3.58Å; F130-V203 WeakPolarHBondContact O-CA 3.47Å; L132-V203 HydrophobicContact CD2-CG1 3.46Å; L132-V203 VanDerWaalsContact CD2-CG1 3.46Å; L136-V203 HydrophobicContact CD2-CG2 4.49Å; N195-V203 VanDerWaalsContact OD1-CG2 3.26Å; N195-V203 WeakPolarHBondContact OD1-CG2 3.31Å; V203-N221 PolarHBondContact N-O 2.73Å; V203-V222 HydrophobicContact CB-CG1 4.49Å; V203-V222 HydrophobicContact CB-CG2 4.21Å; V203-V222 CarbonylContact O-C 3.5Å; V203-V222 VanDerWaalsContact O-CA 3.31Å; V203-V222 WeakPolarHBondContact O-CA 3.47Å; V203-V223 PolarHBondContact O-N 2.83Å
204S98.8Very high98.4Very high0 Ų041.1 Ų41.10%023%0.226CC..EExtended strand (participates in β ladder)trans-103.6123.4171.9177.20000109.5M49 F130 C131 L132 I225M49-S204 VanDerWaalsContact SD-O 3.38Å; F130-S204 PolarHBondContact O-N 3.27Å; C131-S204 VanDerWaalsContact CA-O 3.25Å; C131-S204 WeakPolarHBondContact CA-O 3.33Å; L132-S204 PolarHBondContact N-O 3.21Å; L132-S204 VanDerWaalsContact N-O 3.07Å; S204-I225 WeakPolarHBondContact OG-CD1 3.41Å
205R98.9Very high98.3Very high0 Ų044.3 Ų44.30%024%0.244CC..EExtended strand (participates in β ladder)trans-135.2172.4-174.371.3140-50.1179.938.7113.8M49 L132 H133 G134 S167 D168 P169 H207 Q208 V222 V223 T224 I225M49-R205 WeakPolarHBondContact CE-O 3.33Å; L132-R205 HydrophobicContact CD2-CB 4Å; L132-R205 VanDerWaalsContact O-CA 3.26Å; L132-R205 WeakPolarHBondContact O-CA 3.47Å; H133-R205 PolarHBondContact O-NE 3.13Å; H133-R205 PolarHBondContact O-NH2 2.72Å; G134-R205 WeakPolarHBondContact O-CB 3.02Å; G134-R205 WeakPolarHBondContact O-CD 3.36Å; G134-R205 PolarHBondContact O-NE 2.8Å; G134-R205 PolarHBondContact O-NH2 2.9Å; S167-R205 PolarHBondContact O-NH2 2.87Å; D168-R205 IonicContact OD1-CZ 3.75Å; D168-R205 IonicContact OD1-NH1 2.8Å; D168-R205 PolarHBondContact OD1-NH1 2.68Å; D168-R205 IonicContact OD1-NH2 2.65Å; P169-R205 VanDerWaalsContact CD-NH1 3.32Å; R205-H207 PolarHBondContact NH2-CD2 3.1Å; R205-H207 VanDerWaalsContact NH2-CD2 3.26Å; R205-Q208 VanDerWaalsContact NH1-CD 3.32Å; R205-V222 HydrophobicContact CG-CG1 4.12Å; R205-V223 WeakPolarHBondContact CG-O 3.07Å; R205-V223 PolarHBondContact N-O 3.44Å; R205-T224 CarbonylContact O-C 3.19Å; R205-T224 WeakPolarHBondContact O-CA 3.48Å; R205-I225 PolarHBondContact O-N 3.2Å
206A98.8Very high98.3Very high0 Ų046.7 Ų46.70%025%0.253CS..  trans-125.2-134.7-178.900000112.6D23 M49 H133 Q208 I225D23-A206 WeakPolarHBondContact OD1-CB 3.41Å; M49-A206 HydrophobicContact CB-CB 3.98Å; M49-A206 HydrophobicContact CE-CB 4.01Å; H133-A206 CarbonylContact O-C 3.5Å; H133-A206 PolarHBondContact O-N 2.91Å; A206-Q208 PolarHBondContact O-N 3.22Å; A206-I225 WeakPolarHBondContact CA-O 3.22Å
207H98.6Very high98.3Very high11 Ų1139.7 Ų39.75%0.05122%0.222CC..SBendtrans66.4-22.3161.6-176.971.7000118.4D23 N83 H133 W166 D168 R180 R205D23-H207 PolarHBondContact OD1-N 2.97Å; D23-H207 WeakPolarHBondContact OD2-CA 3.28Å; D23-H207 PolarHBondContact OD2-N 3.07Å; N83-H207 PolarHBondContact OD1-CE1 2.98Å; N83-H207 VanDerWaalsContact OD1-CE1 3.29Å; N83-H207 PolarHBondContact OD1-ND1 2.94Å; H133-H207 AromaticContact CD2-ND1 3.83Å; H133-H207 AromaticContact NE2-CG 3.83Å; H133-H207 AromaticContact NE2-ND1 3.37Å; H133-H207 PolarHBondContact NE2-ND1 2.96Å; W166-H207 AromaticContact CE3-CE1 3.83Å; W166-H207 PolarHBondContact O-NE2 3.3Å; D168-H207 IonicContact OD1-CD2 3.58Å; D168-H207 PolarHBondContact OD1-CD2 2.72Å; R180-H207 WeakPolarHBondContact CD-NE2 3.09Å; R180-H207 PolarHBondContact NE-NE2 3.01Å; R180-H207 VanDerWaalsContact NE-NE2 3.13Å; R180-H207 PolarHBondContact NH1-NE2 3.36Å; R180-H207 PolarHBondContact NH2-CD2 2.96Å; R180-H207 VanDerWaalsContact NH2-CD2 3.32Å; R180-H207 PolarHBondContact NH2-NE2 2.96Å; R205-H207 PolarHBondContact NH2-CD2 3.1Å; R205-H207 VanDerWaalsContact NH2-CD2 3.26Å
208Q98.1Very high98.3Very high52 Ų5237 Ų3724%0.24320%0.199CC..SBendtrans-107.9122.2173.6-81178.2-4700110.3D168 R205 A206 V210 T224 F226D168-Q208 VanDerWaalsContact CG-NE2 3.33Å; D168-Q208 WeakPolarHBondContact OD1-CG 3.49Å; D168-Q208 PolarHBondContact OD1-NE2 2.99Å; R205-Q208 VanDerWaalsContact NH1-CD 3.32Å; A206-Q208 PolarHBondContact O-N 3.22Å; Q208-V210 PolarHBondContact O-N 3.42Å; Q208-T224 HydrophobicContact CB-CG2 4.08Å; Q208-T224 WeakPolarHBondContact O-CG2 3.45Å; Q208-F226 WeakPolarHBondContact O-CD2 3.36Å
209L97.5Very high98.2Very high69 Ų6941.7 Ų41.736%0.36122%0.224SC..  trans-57.8125168.9179.572.3000109.8F226 Y231 C235 N237L209-F226 HydrophobicContact CB-CE2 4.4Å; L209-F226 HydrophobicContact CB-CZ 4.47Å; L209-F226 HydrophobicContact CD1-CD1 3.8Å; L209-F226 HydrophobicContact CD1-CE1 3.47Å; L209-F226 VanDerWaalsContact CD1-CE1 3.47Å; L209-F226 HydrophobicContact CD1-CE2 4.44Å; L209-F226 HydrophobicContact CD1-CG 4.42Å; L209-F226 HydrophobicContact CD1-CZ 3.83Å; L209-Y231 HydrophobicContact CD1-CD1 4.1Å; L209-Y231 HydrophobicContact CD1-CG 4.16Å; L209-Y231 HydrophobicContact CD2-CD1 4.39Å; L209-C235 HydrophobicContact CD2-CB 3.87Å; L209-N237 HydrophobicContact CD1-CB 4Å; L209-N237 VanDerWaalsContact CD1-CG 3.4Å; L209-N237 WeakPolarHBondContact CD1-OD1 3.38Å
210V97.1Very high98.2Very high19 Ų1946.4 Ų46.412%0.11523%0.225CC..  trans-127.2135.2174.9-70.60000109Q208 E212 G213 N215 T224 F226Q208-V210 PolarHBondContact O-N 3.42Å; V210-E212 VanDerWaalsContact C-N 3.29Å; V210-E212 PolarHBondContact O-N 3.29Å; V210-G213 VanDerWaalsContact CG2-C 3.45Å; V210-G213 PolarHBondContact O-N 2.83Å; V210-N215 HydrophobicContact CB-CB 4.16Å; V210-N215 HydrophobicContact CG1-CB 3.64Å; V210-T224 HydrophobicContact CG1-CG2 4.02Å; V210-T224 HydrophobicContact CG2-CG2 4.41Å; V210-F226 HydrophobicContact CG2-CB 3.84Å
211M97.8Very high98.2Very high105 Ų10547.4 Ų47.452%0.51723%0.23SC..THydrogen-bonded Turntrans-63.4-33.9-167.3-69.5-54.2-59.100113.7G213 N237 Q238M211-G213 VanDerWaalsContact C-N 3.33Å; M211-N237 HydrophobicContact CE-CB 4.19Å; M211-N237 CarbonylContact O-C 3.49Å; M211-N237 VanDerWaalsContact O-CA 3.3Å; M211-N237 WeakPolarHBondContact O-CA 3.42Å; M211-N237 WeakPolarHBondContact O-CB 3.15Å; M211-N237 HydrophobicContact SD-CB 4.17Å; M211-Q238 PolarHBondContact O-N 3.45Å
212E97.8Very high98.2Very high106 Ų10643.8 Ų43.850%0.49521%0.208SC..THydrogen-bonded Turntrans-91.64.4-179.9-61.1-57.5131.300112.5V210 Y214 Q254V210-E212 VanDerWaalsContact C-N 3.29Å; V210-E212 PolarHBondContact O-N 3.29Å; E212-Y214 PolarHBondContact O-N 3.09Å; E212-Q254 PolarHBondContact O-NE2 2.85Å; E212-Q254 PolarHBondContact OE2-NE2 2.96Å
213G98.3Very high98.2Very high0 Ų043.4 Ų43.40%021%0.206CC..SBendtrans78.7-12.9-175.200000114.6V210 M211 F226 Q238 A240V210-G213 VanDerWaalsContact CG2-C 3.45Å; V210-G213 PolarHBondContact O-N 2.83Å; M211-G213 VanDerWaalsContact C-N 3.33Å; G213-F226 PolarHBondContact O-N 3.3Å; G213-Q238 VanDerWaalsContact CA-O 3.25Å; G213-Q238 WeakPolarHBondContact CA-O 3.23Å; G213-Q238 PolarHBondContact N-O 2.92Å; G213-A240 WeakPolarHBondContact O-CB 3.12Å
214Y98.6Very high98.2Very high70 Ų7043.5 Ų43.528%0.27521%0.206SC..EExtended strand (participates in β ladder)trans-145.4158.2166.572.7-76.7000111.8E212 W216 T224 A240 F252 Q254E212-Y214 PolarHBondContact O-N 3.09Å; Y214-W216 AromaticContact CD2-NE1 3.95Å; Y214-W216 AromaticContact CE2-CD1 3.94Å; Y214-W216 AromaticContact CE2-NE1 3.84Å; Y214-T224 CarbonylContact C-O 3.53Å; Y214-T224 WeakPolarHBondContact CA-O 3.31Å; Y214-T224 WeakPolarHBondContact CB-O 3.29Å; Y214-A240 HydrophobicContact CD1-CB 3.95Å; Y214-F252 HydrophobicContact CD1-CB 4.07Å; Y214-F252 HydrophobicContact CD1-CD1 4.06Å; Y214-F252 HydrophobicContact CD1-CG 4.05Å; Y214-F252 AromaticContact CD2-CD1 3.92Å; Y214-F252 HydrophobicContact CD2-CD1 3.92Å; Y214-F252 HydrophobicContact CD2-CD2 4.07Å; Y214-F252 AromaticContact CD2-CE1 3.99Å; Y214-F252 HydrophobicContact CD2-CE1 3.99Å; Y214-F252 HydrophobicContact CD2-CE2 4.16Å; Y214-F252 AromaticContact CD2-CG 3.97Å; Y214-F252 HydrophobicContact CD2-CG 3.97Å; Y214-F252 HydrophobicContact CD2-CZ 4.14Å; Y214-F252 HydrophobicContact CE1-CB 3.97Å; Y214-F252 HydrophobicContact CE1-CG 4.19Å; Y214-F252 AromaticContact CE2-CD2 3.94Å; Y214-F252 HydrophobicContact CE2-CD2 3.94Å; Y214-F252 HydrophobicContact CE2-CE2 4.24Å; Y214-F252 HydrophobicContact CE2-CG 4.11Å; Y214-F252 HydrophobicContact CG-CB 4.46Å; Y214-F252 AromaticContact CG-CD1 3.67Å; Y214-F252 HydrophobicContact CG-CD1 3.67Å; Y214-F252 HydrophobicContact CG-CE1 4.02Å; Y214-F252 AromaticContact CG-CG 3.95Å; Y214-F252 HydrophobicContact CG-CG 3.95Å; Y214-Q254 HydrophobicContact CD1-CG 4.26Å; Y214-Q254 HydrophobicContact CE1-CG 4.01Å
215N98.4Very high98.2Very high82 Ų8243.5 Ų43.544%0.43921%0.206SC..EExtended strand (participates in β ladder)trans-148.9139.2173.8-175.553.6000111.5V210 V223 T224V210-N215 HydrophobicContact CB-CB 4.16Å; V210-N215 HydrophobicContact CG1-CB 3.64Å; N215-V223 WeakPolarHBondContact O-CA 3.17Å; N215-T224 PolarHBondContact N-O 3.24Å; N215-T224 PolarHBondContact O-N 3.32Å
216W98.4Very high98.2Very high52 Ų5243.6 Ų43.620%0.19721%0.207CC..EExtended strand (participates in β ladder)trans-98.4136.4174.1-71.999.8000110.5L202 Y214 R220 V223 Y250 F252L202-W216 HydrophobicContact CD1-CH2 4.01Å; L202-W216 HydrophobicContact CD1-CZ3 3.49Å; L202-W216 VanDerWaalsContact CD1-CZ3 3.49Å; L202-W216 HydrophobicContact CD2-CH2 4Å; L202-W216 HydrophobicContact CD2-CZ3 4.35Å; Y214-W216 AromaticContact CD2-NE1 3.95Å; Y214-W216 AromaticContact CE2-CD1 3.94Å; Y214-W216 AromaticContact CE2-NE1 3.84Å; W216-R220 HydrophobicContact CB-CG 4.49Å; W216-R220 HydrophobicContact CD2-CB 4.45Å; W216-R220 HydrophobicContact CD2-CG 4.34Å; W216-R220 HydrophobicContact CE3-CB 3.79Å; W216-R220 HydrophobicContact CE3-CG 4.15Å; W216-R220 HydrophobicContact CZ3-CB 4.05Å; W216-R220 WeakPolarHBondContact CZ3-O 3.47Å; W216-V223 HydrophobicContact CD2-CB 4.05Å; W216-V223 HydrophobicContact CD2-CG2 4Å; W216-V223 HydrophobicContact CE3-CB 3.68Å; W216-V223 HydrophobicContact CE3-CG2 4.16Å; W216-V223 HydrophobicContact CH2-CB 3.88Å; W216-V223 HydrophobicContact CH2-CG1 4.24Å; W216-V223 HydrophobicContact CH2-CG2 4.31Å; W216-V223 HydrophobicContact CZ2-CB 4.19Å; W216-V223 HydrophobicContact CZ2-CG2 4.09Å; W216-V223 HydrophobicContact CZ3-CB 3.64Å; W216-V223 HydrophobicContact CZ3-CG1 4.28Å; W216-V223 HydrophobicContact CZ3-CG2 4.35Å; W216-Y250 HydrophobicContact CH2-CE1 4.2Å; W216-Y250 HydrophobicContact CH2-CE2 4.05Å; W216-Y250 AromaticContact CH2-CZ 3.79Å; W216-Y250 HydrophobicContact CZ2-CD2 4.09Å; W216-Y250 HydrophobicContact CZ2-CE1 4.46Å; W216-Y250 AromaticContact CZ2-CE2 3.49Å; W216-Y250 HydrophobicContact CZ2-CE2 3.49Å; W216-Y250 VanDerWaalsContact CZ2-CE2 3.49Å; W216-Y250 AromaticContact CZ2-CZ 3.69Å; W216-F252 AromaticContact CE2-CE2 3.93Å; W216-F252 AromaticContact CE2-CZ 3.96Å; W216-F252 HydrophobicContact CH2-CZ 4.5Å; W216-F252 AromaticContact CZ2-CE2 3.62Å; W216-F252 HydrophobicContact CZ2-CE2 3.62Å; W216-F252 AromaticContact CZ2-CZ 3.55Å; W216-F252 HydrophobicContact CZ2-CZ 3.55Å; W216-F252 AromaticContact NE1-CE2 3.69Å; W216-F252 AromaticContact NE1-CZ 3.99Å
217C98Very high98.2Very high19 Ų1943.7 Ų43.713%0.12821%0.207CC..EExtended strand (participates in β ladder)trans-138.7176170.560.80000111.5D219 R220 N221 V222C217-D219 PolarHBondContact O-N 3.13Å; C217-R220 WeakPolarHBondContact O-CA 3.4Å; C217-R220 PolarHBondContact O-N 3.32Å; C217-N221 PolarHBondContact O-N 3.06Å; C217-V222 PolarHBondContact N-O 2.8Å; C217-V222 PolarHBondContact O-N 2.88Å
218H98.5Very high98.2Very high10 Ų1043.2 Ų43.25%0.04621%0.205CC..G310 helixtrans53.450177-57.9-178.6000112.7D170 F186 G187 Q188 S191 R220 N221 V222D170-H218 PolarHBondContact O-NE2 3.44Å; F186-H218 AromaticContact CD2-CE1 3.81Å; F186-H218 AromaticContact CE2-CE1 3.83Å; F186-H218 PolarHBondContact O-CE1 2.89Å; G187-H218 PolarHBondContact O-CE1 3.41Å; Q188-H218 VanDerWaalsContact CA-CG 3.49Å; Q188-H218 HydrophobicContact CB-CB 3.89Å; Q188-H218 HydrophobicContact CG-CB 3.89Å; S191-H218 WeakPolarHBondContact OG-CB 3.4Å; S191-H218 PolarHBondContact OG-ND1 3.29Å; H218-R220 PolarHBondContact O-N 3.35Å; H218-N221 HydrophobicContact CB-CB 4.29Å; H218-N221 VanDerWaalsContact O-CB 3.24Å; H218-N221 WeakPolarHBondContact O-CB 3.34Å; H218-N221 PolarHBondContact O-N 3.05Å; H218-N221 PolarHBondContact O-ND2 3.26Å; H218-V222 HydrophobicContact CB-CG2 4.15Å
219D97.2Very high98.2Very high130 Ų13040.8 Ų40.870%0.69519%0.194SC*.G310 helixtrans49.543.8-175.6-158.221.3000113.8C217 N221C217-D219 PolarHBondContact O-N 3.13Å; D219-N221 VanDerWaalsContact C-N 3.27Å; D219-N221 PolarHBondContact O-N 3.48Å
220R97.3Very high98.1Very high153 Ų15338.8 Ų38.858%0.57718%0.184SC*.G310 helixtrans67.115.8-178-53.2-177.6171-147.7-2115.8W216 C217 H218 V222W216-R220 HydrophobicContact CB-CG 4.49Å; W216-R220 HydrophobicContact CD2-CB 4.45Å; W216-R220 HydrophobicContact CD2-CG 4.34Å; W216-R220 HydrophobicContact CE3-CB 3.79Å; W216-R220 HydrophobicContact CE3-CG 4.15Å; W216-R220 HydrophobicContact CZ3-CB 4.05Å; W216-R220 WeakPolarHBondContact CZ3-O 3.47Å; C217-R220 WeakPolarHBondContact O-CA 3.4Å; C217-R220 PolarHBondContact O-N 3.32Å; H218-R220 PolarHBondContact O-N 3.35Å; R220-V222 VanDerWaalsContact C-N 3.26Å
221N98.3Very high98.1Very high34 Ų3439.2 Ų39.218%0.18218%0.184CC..THydrogen-bonded Turntrans-74.8-19.4169.3-76.7-86.4000112.9N195 V203 C217 H218 D219N195-N221 PolarHBondContact ND2-O 2.66Å; N195-N221 PolarHBondContact ND2-OD1 3.07Å; N195-N221 VanDerWaalsContact ND2-OD1 3.16Å; V203-N221 PolarHBondContact N-O 2.73Å; C217-N221 PolarHBondContact O-N 3.06Å; H218-N221 HydrophobicContact CB-CB 4.29Å; H218-N221 VanDerWaalsContact O-CB 3.24Å; H218-N221 WeakPolarHBondContact O-CB 3.34Å; H218-N221 PolarHBondContact O-N 3.05Å; H218-N221 PolarHBondContact O-ND2 3.26Å; D219-N221 VanDerWaalsContact C-N 3.27Å; D219-N221 PolarHBondContact O-N 3.48Å
222V98.8Very high97.8Very high0 Ų034.5 Ų34.50%016%0.161CC..EExtended strand (participates in β ladder)trans-132.8132.2-178.7-1750000109.8F186 V203 R205 C217 H218 R220F186-V222 HydrophobicContact CE2-CG2 4.28Å; V203-V222 HydrophobicContact CB-CG1 4.49Å; V203-V222 HydrophobicContact CB-CG2 4.21Å; V203-V222 CarbonylContact O-C 3.5Å; V203-V222 VanDerWaalsContact O-CA 3.31Å; V203-V222 WeakPolarHBondContact O-CA 3.47Å; R205-V222 HydrophobicContact CG-CG1 4.12Å; C217-V222 PolarHBondContact N-O 2.8Å; C217-V222 PolarHBondContact O-N 2.88Å; H218-V222 HydrophobicContact CB-CG2 4.15Å; R220-V222 VanDerWaalsContact C-N 3.26Å
223V98.8Very high97.5Very high0 Ų032.7 Ų32.70%015%0.15CC..EExtended strand (participates in β ladder)trans-120.3133.5168.866.50000110.6L202 V203 R205 N215 W216 I225 M242 F252L202-V223 HydrophobicContact CD1-CB 4.36Å; L202-V223 HydrophobicContact CD1-CG1 4.02Å; L202-V223 HydrophobicContact CD2-CG1 4.04Å; L202-V223 HydrophobicContact CG-CG1 4.32Å; V203-V223 PolarHBondContact O-N 2.83Å; R205-V223 WeakPolarHBondContact CG-O 3.07Å; R205-V223 PolarHBondContact N-O 3.44Å; N215-V223 WeakPolarHBondContact O-CA 3.17Å; W216-V223 HydrophobicContact CD2-CB 4.05Å; W216-V223 HydrophobicContact CD2-CG2 4Å; W216-V223 HydrophobicContact CE3-CB 3.68Å; W216-V223 HydrophobicContact CE3-CG2 4.16Å; W216-V223 HydrophobicContact CH2-CB 3.88Å; W216-V223 HydrophobicContact CH2-CG1 4.24Å; W216-V223 HydrophobicContact CH2-CG2 4.31Å; W216-V223 HydrophobicContact CZ2-CB 4.19Å; W216-V223 HydrophobicContact CZ2-CG2 4.09Å; W216-V223 HydrophobicContact CZ3-CB 3.64Å; W216-V223 HydrophobicContact CZ3-CG1 4.28Å; W216-V223 HydrophobicContact CZ3-CG2 4.35Å; V223-I225 HydrophobicContact CG2-CG1 4.32Å; V223-M242 HydrophobicContact CG1-SD 4.39Å; V223-F252 HydrophobicContact CG2-CE1 4Å; V223-F252 HydrophobicContact CG2-CZ 3.83Å
224T98.9Very high97.2Very high2 Ų239.6 Ų39.61%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-97.9130.9168.2-59.70000109R205 Q208 V210 Y214 N215R205-T224 CarbonylContact O-C 3.19Å; R205-T224 WeakPolarHBondContact O-CA 3.48Å; Q208-T224 HydrophobicContact CB-CG2 4.08Å; Q208-T224 WeakPolarHBondContact O-CG2 3.45Å; V210-T224 HydrophobicContact CG1-CG2 4.02Å; V210-T224 HydrophobicContact CG2-CG2 4.41Å; Y214-T224 CarbonylContact C-O 3.53Å; Y214-T224 WeakPolarHBondContact CA-O 3.31Å; Y214-T224 WeakPolarHBondContact CB-O 3.29Å; N215-T224 PolarHBondContact N-O 3.24Å; N215-T224 PolarHBondContact O-N 3.32Å
225I98.9Very high96.9Very high0 Ų038.5 Ų38.50%018%0.178CC..EExtended strand (participates in β ladder)trans-121.5133.3176.5-55.4171.3000108.4V20 G22 M49 S204 R205 A206 V223 A240 M242 F252V20-I225 HydrophobicContact CB-CD1 4.37Å; V20-I225 HydrophobicContact CG1-CD1 4.15Å; G22-I225 WeakPolarHBondContact CA-O 3.45Å; M49-I225 HydrophobicContact CE-CB 3.86Å; M49-I225 HydrophobicContact CE-CD1 4Å; M49-I225 HydrophobicContact CE-CG1 4.29Å; S204-I225 WeakPolarHBondContact OG-CD1 3.41Å; R205-I225 PolarHBondContact O-N 3.2Å; A206-I225 WeakPolarHBondContact CA-O 3.22Å; V223-I225 HydrophobicContact CG2-CG1 4.32Å; I225-A240 WeakPolarHBondContact CG2-O 3.42Å; I225-M242 HydrophobicContact CD1-CB 3.48Å; I225-M242 VanDerWaalsContact CD1-CB 3.48Å; I225-M242 HydrophobicContact CD1-CE 3.97Å; I225-M242 HydrophobicContact CD1-CG 4.41Å; I225-M242 HydrophobicContact CD1-SD 4.17Å; I225-F252 HydrophobicContact CD1-CE1 4.38Å; I225-F252 HydrophobicContact CG1-CE1 4.24Å
226F98.8Very high96.8Very high2 Ų237.1 Ų37.11%0.00918%0.183CC..BIsolated β-bridgetrans-132.1120.6179.4-161.4-92000109.3D23 Q208 L209 V210 G213 A228 Y231 A239 A240D23-F226 HydrophobicContact CB-CD2 3.92Å; D23-F226 HydrophobicContact CB-CE2 3.6Å; D23-F226 HydrophobicContact CB-CZ 4.06Å; D23-F226 WeakPolarHBondContact OD2-CE2 3.3Å; Q208-F226 WeakPolarHBondContact O-CD2 3.36Å; L209-F226 HydrophobicContact CB-CE2 4.4Å; L209-F226 HydrophobicContact CB-CZ 4.47Å; L209-F226 HydrophobicContact CD1-CD1 3.8Å; L209-F226 HydrophobicContact CD1-CE1 3.47Å; L209-F226 VanDerWaalsContact CD1-CE1 3.47Å; L209-F226 HydrophobicContact CD1-CE2 4.44Å; L209-F226 HydrophobicContact CD1-CG 4.42Å; L209-F226 HydrophobicContact CD1-CZ 3.83Å; V210-F226 HydrophobicContact CG2-CB 3.84Å; G213-F226 PolarHBondContact O-N 3.3Å; F226-A228 HydrophobicContact CD1-CB 4.34Å; F226-A228 HydrophobicContact CE1-CB 3.7Å; F226-A228 VanDerWaalsContact CE1-O 3.26Å; F226-A228 WeakPolarHBondContact CE1-O 3.1Å; F226-A228 HydrophobicContact CZ-CB 4.3Å; F226-Y231 AromaticContact CE1-CD2 4Å; F226-Y231 HydrophobicContact CE1-CD2 4Å; F226-Y231 AromaticContact CE1-CG 3.9Å; F226-Y231 HydrophobicContact CE1-CG 3.9Å; F226-Y231 HydrophobicContact CZ-CD1 4.09Å; F226-Y231 AromaticContact CZ-CD2 3.72Å; F226-Y231 HydrophobicContact CZ-CD2 3.72Å; F226-Y231 HydrophobicContact CZ-CE1 4.35Å; F226-Y231 HydrophobicContact CZ-CE2 4.03Å; F226-Y231 AromaticContact CZ-CG 3.74Å; F226-Y231 HydrophobicContact CZ-CG 3.74Å; F226-A239 CarbonylContact O-C 3.53Å; F226-A239 VanDerWaalsContact O-CA 3.31Å; F226-A239 WeakPolarHBondContact O-CA 3.44Å; F226-A240 PolarHBondContact O-N 3.35Å
227S98.8Very high96.8Very high2 Ų234.8 Ų34.81%0.01418%0.175CC..  trans-109.911.6-168-59.20000114G22 D23 A239 A240 F255G22-S227 PolarHBondContact N-OG 2.89Å; D23-S227 CarbonylContact O-C 3.59Å; D23-S227 VanDerWaalsContact O-CA 3.27Å; D23-S227 WeakPolarHBondContact O-CA 3.47Å; D23-S227 WeakPolarHBondContact O-CB 3.23Å; D23-S227 PolarHBondContact O-N 3.44Å; D23-S227 VanDerWaalsContact O-N 3.13Å; S227-A239 VanDerWaalsContact C-CB 3.48Å; S227-A240 PolarHBondContact OG-O 2.72Å; S227-F255 WeakPolarHBondContact O-CZ 3.5Å
228A98.3Very high96.7Very high1 Ų136.3 Ų36.31%0.00818%0.18CC..  trans-108101.4175.400000111D23 F226 Y231 N237D23-A228 PolarHBondContact O-N 3.27Å; F226-A228 HydrophobicContact CD1-CB 4.34Å; F226-A228 HydrophobicContact CE1-CB 3.7Å; F226-A228 VanDerWaalsContact CE1-O 3.26Å; F226-A228 WeakPolarHBondContact CE1-O 3.1Å; F226-A228 HydrophobicContact CZ-CB 4.3Å; A228-Y231 HydrophobicContact CB-CD2 4.19Å; A228-N237 PolarHBondContact O-ND2 2.68Å
229P97.9Very high96.7Very high1 Ų135.8 Ų35.81%0.00618%0.178CC..THydrogen-bonded Turntrans-76.2148.7-177.232.6-35.8000110.5Q27 D30 Y231 A239 F255 P257Q27-P229 PolarHBondContact NE2-O 3.14Å; D30-P229 HydrophobicContact CB-CG 3.87Å; P229-Y231 VanDerWaalsContact C-N 3.25Å; P229-Y231 PolarHBondContact O-N 3.18Å; P229-A239 HydrophobicContact CB-CB 3.71Å; P229-A239 HydrophobicContact CG-CB 4.04Å; P229-F255 HydrophobicContact CG-CD2 4.23Å; P229-F255 HydrophobicContact CG-CE2 3.93Å; P229-P257 HydrophobicContact CB-CB 4.48Å; P229-P257 HydrophobicContact CB-CG 3.92Å; P229-P257 HydrophobicContact CG-CB 4.33Å; P229-P257 HydrophobicContact CG-CG 4.3Å
230N96.4Very high96.8Very high26 Ų2629.6 Ų29.614%0.13915%0.145CC..THydrogen-bonded Turntrans43.354.3-173-177.143.8000111.7Y233 R234 C235 G236 N237 P257N230-Y233 WeakPolarHBondContact ND2-CA 3.29Å; N230-Y233 PolarHBondContact ND2-O 2.86Å; N230-Y233 CarbonylContact O-C 3.57Å; N230-Y233 WeakPolarHBondContact O-CA 3.16Å; N230-Y233 PolarHBondContact O-N 2.82Å; N230-R234 PolarHBondContact O-N 2.97Å; N230-R234 WeakPolarHBondContact OD1-CA 3.43Å; N230-R234 PolarHBondContact OD1-N 2.84Å; N230-C235 PolarHBondContact OD1-N 3.27Å; N230-G236 WeakPolarHBondContact OD1-CA 3.41Å; N230-G236 PolarHBondContact OD1-N 3.34Å; N230-N237 WeakPolarHBondContact CA-OD1 3.4Å; N230-N237 PolarHBondContact N-O 3.32Å; N230-N237 PolarHBondContact N-OD1 3.49Å; N230-P257 HydrophobicContact CB-CB 4.43Å; N230-P257 HydrophobicContact CB-CG 3.4Å
231Y96.4Very high96.9Very high29 Ų2922.3 Ų22.311%0.11412%0.117CC..G310 helixtrans-47.7144-173.7-178.2-125.3000113H25 R55 L209 F226 A228 P229 Y233 R234 C235 N237H25-Y231 HydrophobicContact CB-CD2 4.4Å; H25-Y231 HydrophobicContact CB-CE2 3.69Å; H25-Y231 AromaticContact CD2-CE2 3.15Å; H25-Y231 WeakPolarHBondContact CD2-CE2 3.49Å; H25-Y231 AromaticContact CD2-CZ 3.56Å; H25-Y231 PolarHBondContact CD2-OH 3.21Å; H25-Y231 VanDerWaalsContact CD2-OH 3.3Å; H25-Y231 AromaticContact CG-CE2 3.56Å; H25-Y231 AromaticContact NE2-CE2 3.82Å; H25-Y231 AromaticContact NE2-CZ 3.72Å; H25-Y231 PolarHBondContact NE2-OH 2.93Å; R55-Y231 HydrophobicContact CB-CE2 4.12Å; R55-Y231 HydrophobicContact CG-CE2 4.47Å; R55-Y231 WeakPolarHBondContact CG-OH 3.38Å; L209-Y231 HydrophobicContact CD1-CD1 4.1Å; L209-Y231 HydrophobicContact CD1-CG 4.16Å; L209-Y231 HydrophobicContact CD2-CD1 4.39Å; F226-Y231 AromaticContact CE1-CD2 4Å; F226-Y231 HydrophobicContact CE1-CD2 4Å; F226-Y231 AromaticContact CE1-CG 3.9Å; F226-Y231 HydrophobicContact CE1-CG 3.9Å; F226-Y231 HydrophobicContact CZ-CD1 4.09Å; F226-Y231 AromaticContact CZ-CD2 3.72Å; F226-Y231 HydrophobicContact CZ-CD2 3.72Å; F226-Y231 HydrophobicContact CZ-CE1 4.35Å; F226-Y231 HydrophobicContact CZ-CE2 4.03Å; F226-Y231 AromaticContact CZ-CG 3.74Å; F226-Y231 HydrophobicContact CZ-CG 3.74Å; A228-Y231 HydrophobicContact CB-CD2 4.19Å; P229-Y231 VanDerWaalsContact C-N 3.25Å; P229-Y231 PolarHBondContact O-N 3.18Å; Y231-Y233 PolarHBondContact O-N 2.99Å; Y231-R234 PolarHBondContact O-N 3.21Å; Y231-C235 WeakPolarHBondContact O-CB 3.48Å; Y231-C235 PolarHBondContact O-N 2.75Å; Y231-C235 PolarHBondContact O-SG 3.47Å; Y231-N237 WeakPolarHBondContact CB-OD1 3.15Å; Y231-N237 PolarHBondContact N-OD1 3.48Å
232C91.5Very high96.9Very high6 Ų620.7 Ų20.74%0.04111%0.108CC..G310 helixtrans51.923.9-172-69.10000113.1R234 F274C232-R234 HydrophobicContact CB-CG 4.03Å; C232-R234 WeakPolarHBondContact O-CG 3.2Å; C232-R234 PolarHBondContact O-N 2.77Å; C232-F274 HydrophobicContact CB-CB 4.38Å
233Y91.6Very high96.9Very high67 Ų6723.4 Ų23.426%0.26312%0.121SC..G310 helixtrans59.518.7-175.2-45.7-79.7000114.9Q27 G56 Y57 N230 Y231 F274Q27-Y233 HydrophobicContact CG-CE1 4.19Å; G56-Y233 WeakPolarHBondContact CA-OH 3.13Å; Y57-Y233 HydrophobicContact CD2-CD2 4.19Å; Y57-Y233 HydrophobicContact CD2-CE1 4.44Å; Y57-Y233 AromaticContact CD2-CE2 3.5Å; Y57-Y233 HydrophobicContact CD2-CE2 3.5Å; Y57-Y233 VanDerWaalsContact CD2-CE2 3.5Å; Y57-Y233 AromaticContact CD2-CZ 3.64Å; Y57-Y233 AromaticContact CE2-CD2 3.79Å; Y57-Y233 HydrophobicContact CE2-CD2 3.79Å; Y57-Y233 AromaticContact CE2-CE2 3.56Å; Y57-Y233 HydrophobicContact CE2-CE2 3.56Å; Y57-Y233 HydrophobicContact CE2-CG 4.49Å; Y57-Y233 HydrophobicContact CG-CE2 4.33Å; Y57-Y233 PolarHBondContact N-OH 3.43Å; N230-Y233 WeakPolarHBondContact ND2-CA 3.29Å; N230-Y233 PolarHBondContact ND2-O 2.86Å; N230-Y233 CarbonylContact O-C 3.57Å; N230-Y233 WeakPolarHBondContact O-CA 3.16Å; N230-Y233 PolarHBondContact O-N 2.82Å; Y231-Y233 PolarHBondContact O-N 2.99Å; Y233-F274 AromaticContact CD2-CE2 3.78Å; Y233-F274 HydrophobicContact CD2-CE2 3.78Å; Y233-F274 AromaticContact CD2-CZ 3.91Å; Y233-F274 HydrophobicContact CD2-CZ 3.91Å; Y233-F274 HydrophobicContact CE2-CE2 4.21Å; Y233-F274 AromaticContact CE2-CZ 3.85Å; Y233-F274 HydrophobicContact CE2-CZ 3.85Å
234R91.9Very high96.9Very high145 Ų14523.6 Ų23.655%0.54712%0.122SC..THydrogen-bonded Turntrans-146.4-19-170.968.3-176.8-66.1-171.4-1116.5N230 Y231 C232 G236N230-R234 PolarHBondContact O-N 2.97Å; N230-R234 WeakPolarHBondContact OD1-CA 3.43Å; N230-R234 PolarHBondContact OD1-N 2.84Å; Y231-R234 PolarHBondContact O-N 3.21Å; C232-R234 HydrophobicContact CB-CG 4.03Å; C232-R234 WeakPolarHBondContact O-CG 3.2Å; C232-R234 PolarHBondContact O-N 2.77Å; R234-G236 VanDerWaalsContact C-N 3.32Å; R234-G236 PolarHBondContact O-N 3.43Å
235C92.6Very high96.8Very high47 Ų4726.6 Ų26.632%0.31814%0.138SC..SBendtrans-73.7-22-171.5-70.80000113.7L209 N230 Y231 N237L209-C235 HydrophobicContact CD2-CB 3.87Å; N230-C235 PolarHBondContact OD1-N 3.27Å; Y231-C235 WeakPolarHBondContact O-CB 3.48Å; Y231-C235 PolarHBondContact O-N 2.75Å; Y231-C235 PolarHBondContact O-SG 3.47Å; C235-N237 PolarHBondContact O-N 2.68Å
236G95Very high96.6Very high54 Ų5432.5 Ų32.556%0.55717%0.17SC*.  trans70.110.1178.100000115.7N230 R234N230-G236 WeakPolarHBondContact OD1-CA 3.41Å; N230-G236 PolarHBondContact OD1-N 3.34Å; R234-G236 VanDerWaalsContact C-N 3.32Å; R234-G236 PolarHBondContact O-N 3.43Å
237N98.1Very high96.4Very high2 Ų237.6 Ų37.61%0.01120%0.201CC..  trans-72156.2173.266.3-68.8000112L209 M211 A228 N230 Y231 C235L209-N237 HydrophobicContact CD1-CB 4Å; L209-N237 VanDerWaalsContact CD1-CG 3.4Å; L209-N237 WeakPolarHBondContact CD1-OD1 3.38Å; M211-N237 HydrophobicContact CE-CB 4.19Å; M211-N237 CarbonylContact O-C 3.49Å; M211-N237 VanDerWaalsContact O-CA 3.3Å; M211-N237 WeakPolarHBondContact O-CA 3.42Å; M211-N237 WeakPolarHBondContact O-CB 3.15Å; M211-N237 HydrophobicContact SD-CB 4.17Å; A228-N237 PolarHBondContact O-ND2 2.68Å; N230-N237 WeakPolarHBondContact CA-OD1 3.4Å; N230-N237 PolarHBondContact N-O 3.32Å; N230-N237 PolarHBondContact N-OD1 3.49Å; Y231-N237 WeakPolarHBondContact CB-OD1 3.15Å; Y231-N237 PolarHBondContact N-OD1 3.48Å; C235-N237 PolarHBondContact O-N 2.68Å
238Q97.8Very high96.1Very high51 Ų5139 Ų3924%0.23821%0.208CC..  trans-81163.8160-59.1-164.4-63.200110.3M211 G213 D256M211-Q238 PolarHBondContact O-N 3.45Å; G213-Q238 VanDerWaalsContact CA-O 3.25Å; G213-Q238 WeakPolarHBondContact CA-O 3.23Å; G213-Q238 PolarHBondContact N-O 2.92Å; Q238-D256 PolarHBondContact NE2-OD1 3.14Å
239A98.5Very high96Very high0 Ų045.9 Ų45.90%024%0.238CC..EExtended strand (participates in β ladder)trans-104.8159.3167.100000110.6F226 S227 P229 Q254 F255F226-A239 CarbonylContact O-C 3.53Å; F226-A239 VanDerWaalsContact O-CA 3.31Å; F226-A239 WeakPolarHBondContact O-CA 3.44Å; S227-A239 VanDerWaalsContact C-CB 3.48Å; P229-A239 HydrophobicContact CB-CB 3.71Å; P229-A239 HydrophobicContact CG-CB 4.04Å; A239-Q254 CarbonylContact O-C 3.43Å; A239-Q254 WeakPolarHBondContact O-CA 3.41Å; A239-F255 HydrophobicContact CB-CD1 3.98Å; A239-F255 HydrophobicContact CB-CD2 4.08Å; A239-F255 HydrophobicContact CB-CE1 3.51Å; A239-F255 HydrophobicContact CB-CE2 3.65Å; A239-F255 HydrophobicContact CB-CG 4.23Å; A239-F255 HydrophobicContact CB-CZ 3.34Å; A239-F255 PolarHBondContact N-O 2.92Å; A239-F255 PolarHBondContact O-N 2.97Å
240A98.7Very high95.9Very high0 Ų050 Ų500%025%0.254CS..EExtended strand (participates in β ladder)trans-137.9160.7170.200000112.5G213 Y214 I225 F226 S227 L253 Q254G213-A240 WeakPolarHBondContact O-CB 3.12Å; Y214-A240 HydrophobicContact CD1-CB 3.95Å; I225-A240 WeakPolarHBondContact CG2-O 3.42Å; F226-A240 PolarHBondContact O-N 3.35Å; S227-A240 PolarHBondContact OG-O 2.72Å; A240-L253 CarbonylContact C-O 3.49Å; A240-L253 VanDerWaalsContact CA-O 3.23Å; A240-L253 WeakPolarHBondContact CA-O 3.48Å; A240-Q254 HydrophobicContact CB-CG 4.2Å
241I98.6Very high95.9Very high0 Ų051.5 Ų51.50%027%0.267CS..EExtended strand (participates in β ladder)trans-128.1148.8163.953.1175000108.8T19 C21 L34 I37 F252 L253 F255T19-I241 HydrophobicContact CG2-CB 3.84Å; T19-I241 HydrophobicContact CG2-CD1 3.72Å; T19-I241 HydrophobicContact CG2-CG1 4.18Å; T19-I241 HydrophobicContact CG2-CG2 4.35Å; C21-I241 HydrophobicContact CB-CG2 4.43Å; L34-I241 HydrophobicContact CD1-CG2 3.73Å; L34-I241 HydrophobicContact CD2-CG2 4.35Å; L34-I241 HydrophobicContact CG-CG2 3.79Å; I37-I241 HydrophobicContact CG2-CD1 4.41Å; I241-F252 WeakPolarHBondContact O-CA 3.05Å; I241-L253 HydrophobicContact CD1-CB 4.26Å; I241-L253 HydrophobicContact CD1-CD1 4.2Å; I241-L253 HydrophobicContact CG1-CB 3.85Å; I241-L253 PolarHBondContact N-O 3.04Å; I241-L253 PolarHBondContact O-N 3.46Å; I241-F255 HydrophobicContact CG2-CE1 4.34Å
242M98.7Very high96Very high0 Ų051.9 Ų51.90%027%0.269CS..EExtended strand (participates in β ladder)trans-104.9117.9175.4-179.3177.567.500109.8T19 V20 V223 I225 L244 S251 F252T19-M242 CarbonylContact C-O 3.59Å; T19-M242 WeakPolarHBondContact CA-O 3.2Å; V20-M242 HydrophobicContact CB-CB 4.31Å; V20-M242 HydrophobicContact CB-CE 3.92Å; V20-M242 HydrophobicContact CG1-CE 4.34Å; V20-M242 HydrophobicContact CG2-CE 3.78Å; V20-M242 PolarHBondContact N-O 3.24Å; V20-M242 PolarHBondContact O-N 2.98Å; V223-M242 HydrophobicContact CG1-SD 4.39Å; I225-M242 HydrophobicContact CD1-CB 3.48Å; I225-M242 VanDerWaalsContact CD1-CB 3.48Å; I225-M242 HydrophobicContact CD1-CE 3.97Å; I225-M242 HydrophobicContact CD1-CG 4.41Å; I225-M242 HydrophobicContact CD1-SD 4.17Å; M242-L244 HydrophobicContact CE-CD1 4.07Å; M242-L244 HydrophobicContact CE-CG 4.33Å; M242-S251 CarbonylContact C-O 3.11Å; M242-S251 WeakPolarHBondContact CA-O 3.44Å; M242-F252 HydrophobicContact CB-CD1 4Å; M242-F252 HydrophobicContact CB-CE1 3.7Å; M242-F252 HydrophobicContact CB-CZ 4.38Å; M242-F252 HydrophobicContact CG-CD1 4.39Å; M242-F252 HydrophobicContact CG-CE1 3.86Å; M242-F252 HydrophobicContact CG-CZ 4.03Å; M242-F252 HydrophobicContact SD-CE1 4.04Å; M242-F252 HydrophobicContact SD-CZ 3.87Å
243E98.4Very high96.3Very high57 Ų5754.2 Ų54.227%0.26628%0.28SS..EExtended strand (participates in β ladder)trans-92.8127174.2-63.5-174.9136.300109.7T19 Y250 S251 L253T19-E243 HydrophobicContact CG2-CG 4.4Å; E243-Y250 CarbonylContact O-C 3.54Å; E243-Y250 WeakPolarHBondContact O-CA 3.47Å; E243-S251 PolarHBondContact N-O 3.35Å; E243-S251 PolarHBondContact O-N 3.45Å; E243-L253 VanDerWaalsContact CD-CD1 3.43Å; E243-L253 HydrophobicContact CG-CD1 4.24Å; E243-L253 HydrophobicContact CG-CG 4.44Å; E243-L253 WeakPolarHBondContact OE1-CD1 3.38Å; E243-L253 WeakPolarHBondContact OE2-CD1 3.12Å
244L98.3Very high96.6Very high4 Ų454.8 Ų54.82%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-110123.7172.5-68.1165.3000109.3P17 V18 V20 V125 I129 M242P17-L244 CarbonylContact C-O 3.55Å; P17-L244 WeakPolarHBondContact CA-O 3.46Å; P17-L244 WeakPolarHBondContact CB-O 3.42Å; V18-L244 HydrophobicContact CG1-CB 4.16Å; V18-L244 HydrophobicContact CG1-CD1 3.97Å; V18-L244 PolarHBondContact N-O 3.19Å; V18-L244 PolarHBondContact O-N 3.02Å; V20-L244 HydrophobicContact CG2-CD1 3.95Å; V125-L244 HydrophobicContact CB-CD1 4.43Å; V125-L244 HydrophobicContact CG1-CD1 3.98Å; V125-L244 HydrophobicContact CG2-CD1 4.46Å; I129-L244 HydrophobicContact CD1-CD1 3.66Å; I129-L244 HydrophobicContact CD1-CD2 3.46Å; I129-L244 VanDerWaalsContact CD1-CD2 3.46Å; I129-L244 HydrophobicContact CD1-CG 4.23Å; M242-L244 HydrophobicContact CE-CD1 4.07Å; M242-L244 HydrophobicContact CE-CG 4.33Å
245D96.8Very high96.9Very high64 Ų6448.2 Ų48.234%0.34226%0.261SS..  trans-84177.2174.776.913.3000112.6C16 T247 L248 K249C16-D245 WeakPolarHBondContact CB-O 3.24Å; C16-D245 PolarHBondContact SG-O 3.27Å; D245-T247 PolarHBondContact O-N 3.39Å; D245-T247 VanDerWaalsContact OD1-CA 3.31Å; D245-T247 WeakPolarHBondContact OD1-CA 3.31Å; D245-T247 WeakPolarHBondContact OD1-CB 3.38Å; D245-T247 PolarHBondContact OD1-N 2.89Å; D245-T247 PolarHBondContact OD1-OG1 3.45Å; D245-T247 PolarHBondContact OD2-OG1 2.94Å; D245-L248 PolarHBondContact O-N 2.77Å; D245-L248 PolarHBondContact OD1-N 2.83Å; D245-K249 PolarHBondContact N-O 3Å; D245-K249 WeakPolarHBondContact OD1-CB 3.42Å; D245-K249 PolarHBondContact OD1-N 3.43Å; D245-K249 WeakPolarHBondContact OD2-CB 3.37Å
246D94.8Very high97Very high125 Ų12550.6 Ų50.667%0.66827%0.271SS*.THydrogen-bonded Turntrans-58.3-12.2-180-58.6-40.5000114.3P17P17-D246 WeakPolarHBondContact CD-OD1 3.35Å; P17-D246 WeakPolarHBondContact CG-OD1 3.19Å
247T94.5Very high97Very high108 Ų10850.8 Ų50.866%0.66326%0.262SS*.THydrogen-bonded Turntrans-111.413.4179.667.10000113.1D245 K249D245-T247 PolarHBondContact O-N 3.39Å; D245-T247 VanDerWaalsContact OD1-CA 3.31Å; D245-T247 WeakPolarHBondContact OD1-CA 3.31Å; D245-T247 WeakPolarHBondContact OD1-CB 3.38Å; D245-T247 PolarHBondContact OD1-N 2.89Å; D245-T247 PolarHBondContact OD1-OG1 3.45Å; D245-T247 PolarHBondContact OD2-OG1 2.94Å; T247-K249 PolarHBondContact O-N 3.45Å
248L93.7Very high96.7Very high33 Ų3351.4 Ų51.417%0.17327%0.268CS..  trans61.117.5-175.1-71.6163.4000114.2C16 V125 D126 Q128 I129 D245 Y250C16-L248 VanDerWaalsContact SG-CD2 3.51Å; V125-L248 HydrophobicContact CG1-CD2 4.26Å; D126-L248 HydrophobicContact CB-CD1 4.07Å; D126-L248 HydrophobicContact CB-CD2 4.17Å; D126-L248 HydrophobicContact CB-CG 4.36Å; Q128-L248 HydrophobicContact CB-CD1 4.07Å; Q128-L248 HydrophobicContact CG-CD1 4.27Å; I129-L248 HydrophobicContact CD1-CD2 3.81Å; I129-L248 HydrophobicContact CG1-CD2 4.28Å; D245-L248 PolarHBondContact O-N 2.77Å; D245-L248 PolarHBondContact OD1-N 2.83Å; L248-Y250 PolarHBondContact O-N 2.86Å
249K95.4Very high96Very high145 Ų14554 Ų5463%0.6329%0.289SS*.  trans-74.7129170.7-172.4-175.8176.6-173.70108.2D245 T247D245-K249 PolarHBondContact N-O 3Å; D245-K249 WeakPolarHBondContact OD1-CB 3.42Å; D245-K249 PolarHBondContact OD1-N 3.43Å; D245-K249 WeakPolarHBondContact OD2-CB 3.37Å; T247-K249 PolarHBondContact O-N 3.45Å
250Y95.4Very high94.6Very high87 Ų8762.1 Ų62.134%0.34132%0.32SS..EExtended strand (participates in β ladder)trans-100.1148.3179.557.2-97.9000113.1W216 E243 L248 F252W216-Y250 HydrophobicContact CH2-CE1 4.2Å; W216-Y250 HydrophobicContact CH2-CE2 4.05Å; W216-Y250 AromaticContact CH2-CZ 3.79Å; W216-Y250 HydrophobicContact CZ2-CD2 4.09Å; W216-Y250 HydrophobicContact CZ2-CE1 4.46Å; W216-Y250 AromaticContact CZ2-CE2 3.49Å; W216-Y250 HydrophobicContact CZ2-CE2 3.49Å; W216-Y250 VanDerWaalsContact CZ2-CE2 3.49Å; W216-Y250 AromaticContact CZ2-CZ 3.69Å; E243-Y250 CarbonylContact O-C 3.54Å; E243-Y250 WeakPolarHBondContact O-CA 3.47Å; L248-Y250 PolarHBondContact O-N 2.86Å; Y250-F252 HydrophobicContact CD2-CD2 4.49Å; Y250-F252 AromaticContact CD2-CE2 3.72Å; Y250-F252 HydrophobicContact CD2-CE2 3.72Å; Y250-F252 HydrophobicContact CD2-CZ 4.38Å; Y250-F252 HydrophobicContact CE2-CE2 4.08Å
251S97.3Very high92.6Very high58 Ų5873.3 Ų73.341%0.40636%0.362SS..EExtended strand (participates in β ladder)trans-137.6152.2162.147.30000110.7M242 E243M242-S251 CarbonylContact C-O 3.11Å; M242-S251 WeakPolarHBondContact CA-O 3.44Å; E243-S251 PolarHBondContact N-O 3.35Å; E243-S251 PolarHBondContact O-N 3.45Å
252F98.3Very high90.5Very high37 Ų3776.6 Ų76.616%0.16240%0.396CS..EExtended strand (participates in β ladder)trans-105.5132.3175.7-63.3-89.3000109.9Y214 W216 V223 I225 I241 M242 Y250Y214-F252 HydrophobicContact CD1-CB 4.07Å; Y214-F252 HydrophobicContact CD1-CD1 4.06Å; Y214-F252 HydrophobicContact CD1-CG 4.05Å; Y214-F252 AromaticContact CD2-CD1 3.92Å; Y214-F252 HydrophobicContact CD2-CD1 3.92Å; Y214-F252 HydrophobicContact CD2-CD2 4.07Å; Y214-F252 AromaticContact CD2-CE1 3.99Å; Y214-F252 HydrophobicContact CD2-CE1 3.99Å; Y214-F252 HydrophobicContact CD2-CE2 4.16Å; Y214-F252 AromaticContact CD2-CG 3.97Å; Y214-F252 HydrophobicContact CD2-CG 3.97Å; Y214-F252 HydrophobicContact CD2-CZ 4.14Å; Y214-F252 HydrophobicContact CE1-CB 3.97Å; Y214-F252 HydrophobicContact CE1-CG 4.19Å; Y214-F252 AromaticContact CE2-CD2 3.94Å; Y214-F252 HydrophobicContact CE2-CD2 3.94Å; Y214-F252 HydrophobicContact CE2-CE2 4.24Å; Y214-F252 HydrophobicContact CE2-CG 4.11Å; Y214-F252 HydrophobicContact CG-CB 4.46Å; Y214-F252 AromaticContact CG-CD1 3.67Å; Y214-F252 HydrophobicContact CG-CD1 3.67Å; Y214-F252 HydrophobicContact CG-CE1 4.02Å; Y214-F252 AromaticContact CG-CG 3.95Å; Y214-F252 HydrophobicContact CG-CG 3.95Å; W216-F252 AromaticContact CE2-CE2 3.93Å; W216-F252 AromaticContact CE2-CZ 3.96Å; W216-F252 HydrophobicContact CH2-CZ 4.5Å; W216-F252 AromaticContact CZ2-CE2 3.62Å; W216-F252 HydrophobicContact CZ2-CE2 3.62Å; W216-F252 AromaticContact CZ2-CZ 3.55Å; W216-F252 HydrophobicContact CZ2-CZ 3.55Å; W216-F252 AromaticContact NE1-CE2 3.69Å; W216-F252 AromaticContact NE1-CZ 3.99Å; V223-F252 HydrophobicContact CG2-CE1 4Å; V223-F252 HydrophobicContact CG2-CZ 3.83Å; I225-F252 HydrophobicContact CD1-CE1 4.38Å; I225-F252 HydrophobicContact CG1-CE1 4.24Å; I241-F252 WeakPolarHBondContact O-CA 3.05Å; M242-F252 HydrophobicContact CB-CD1 4Å; M242-F252 HydrophobicContact CB-CE1 3.7Å; M242-F252 HydrophobicContact CB-CZ 4.38Å; M242-F252 HydrophobicContact CG-CD1 4.39Å; M242-F252 HydrophobicContact CG-CE1 3.86Å; M242-F252 HydrophobicContact CG-CZ 4.03Å; M242-F252 HydrophobicContact SD-CE1 4.04Å; M242-F252 HydrophobicContact SD-CZ 3.87Å; Y250-F252 HydrophobicContact CD2-CD2 4.49Å; Y250-F252 AromaticContact CD2-CE2 3.72Å; Y250-F252 HydrophobicContact CD2-CE2 3.72Å; Y250-F252 HydrophobicContact CD2-CZ 4.38Å; Y250-F252 HydrophobicContact CE2-CE2 4.08Å
253L98.1Very high88.2Confident54 Ų5482.2 Ų82.228%0.28342%0.422SS..EExtended strand (participates in β ladder)trans-106.5117.5167.3-58-178.9000108.2I37 A240 I241 E243I37-L253 HydrophobicContact CG2-CB 4.13Å; I37-L253 HydrophobicContact CG2-CD1 3.92Å; A240-L253 CarbonylContact C-O 3.49Å; A240-L253 VanDerWaalsContact CA-O 3.23Å; A240-L253 WeakPolarHBondContact CA-O 3.48Å; I241-L253 HydrophobicContact CD1-CB 4.26Å; I241-L253 HydrophobicContact CD1-CD1 4.2Å; I241-L253 HydrophobicContact CG1-CB 3.85Å; I241-L253 PolarHBondContact N-O 3.04Å; I241-L253 PolarHBondContact O-N 3.46Å; E243-L253 VanDerWaalsContact CD-CD1 3.43Å; E243-L253 HydrophobicContact CG-CD1 4.24Å; E243-L253 HydrophobicContact CG-CG 4.44Å; E243-L253 WeakPolarHBondContact OE1-CD1 3.38Å; E243-L253 WeakPolarHBondContact OE2-CD1 3.12Å
254Q98.1Very high85.9Confident79 Ų7982.8 Ų82.837%0.36943%0.43SS..EExtended strand (participates in β ladder)trans-94.1147.7175.8-64.8172.9-8800110.5E212 Y214 A239 A240E212-Q254 PolarHBondContact O-NE2 2.85Å; E212-Q254 PolarHBondContact OE2-NE2 2.96Å; Y214-Q254 HydrophobicContact CD1-CG 4.26Å; Y214-Q254 HydrophobicContact CE1-CG 4.01Å; A239-Q254 CarbonylContact O-C 3.43Å; A239-Q254 WeakPolarHBondContact O-CA 3.41Å; A240-Q254 HydrophobicContact CB-CG 4.2Å
255F97.4Very high83.2Confident7 Ų791.9 Ų91.93%0.03147%0.472CS..EExtended strand (participates in β ladder)trans-149.5149.4178.465.5-83.5000113.5L34 I37 S227 P229 A239 I241L34-F255 HydrophobicContact CB-CE2 4.49Å; L34-F255 HydrophobicContact CB-CZ 4Å; L34-F255 HydrophobicContact CD1-CZ 4.22Å; L34-F255 HydrophobicContact CG-CZ 4.33Å; I37-F255 HydrophobicContact CD1-CB 3.26Å; I37-F255 HydrophobicContact CD1-CD1 4.33Å; I37-F255 HydrophobicContact CD1-CD2 4.26Å; I37-F255 HydrophobicContact CD1-CG 3.74Å; S227-F255 WeakPolarHBondContact O-CZ 3.5Å; P229-F255 HydrophobicContact CG-CD2 4.23Å; P229-F255 HydrophobicContact CG-CE2 3.93Å; A239-F255 HydrophobicContact CB-CD1 3.98Å; A239-F255 HydrophobicContact CB-CD2 4.08Å; A239-F255 HydrophobicContact CB-CE1 3.51Å; A239-F255 HydrophobicContact CB-CE2 3.65Å; A239-F255 HydrophobicContact CB-CG 4.23Å; A239-F255 HydrophobicContact CB-CZ 3.34Å; A239-F255 PolarHBondContact N-O 2.92Å; A239-F255 PolarHBondContact O-N 2.97Å; I241-F255 HydrophobicContact CG2-CE1 4.34Å
256D96.3Very high81Confident98 Ų9891.8 Ų91.852%0.52447%0.474SS..PPolyproline II helixtrans-88.6167.8177.7-68.4-46.1000111.3Q238Q238-D256 PolarHBondContact NE2-OD1 3.14Å
257P94.5Very high78.8Confident57 Ų5791.3 Ų91.337%0.3748%0.476SS..PPolyproline II helixtrans-56.5142.3177.5-23.333.3000113D30 P229 N230D30-P257 WeakPolarHBondContact OD1-CA 2.77Å; P229-P257 HydrophobicContact CB-CB 4.48Å; P229-P257 HydrophobicContact CB-CG 3.92Å; P229-P257 HydrophobicContact CG-CB 4.33Å; P229-P257 HydrophobicContact CG-CG 4.3Å; N230-P257 HydrophobicContact CB-CB 4.43Å; N230-P257 HydrophobicContact CB-CG 3.4Å
258A91.6Very high76.7Confident16 Ų1698.9 Ų98.913%0.13249%0.492CS..PPolyproline II helixtrans-56.7143.3177.300000110.8H29 D30 E33 R260H29-A258 HydrophobicContact CB-CB 4.15Å; H29-A258 WeakPolarHBondContact O-CB 3.38Å; D30-A258 VanDerWaalsContact OD1-CB 3.31Å; D30-A258 WeakPolarHBondContact OD1-CB 3.36Å; D30-A258 PolarHBondContact OD1-N 3.27Å; E33-A258 HydrophobicContact CB-CB 4.21Å; A258-R260 PolarHBondContact O-N 3.5Å; A258-R260 VanDerWaalsContact O-N 3.13Å
259P83.3Confident74.9Confident106 Ų106106.4 Ų106.469%0.68852%0.518SS*.PPolyproline II helixtrans-56.1122.2178.5-24.532.8000111.5R261P259-R261 PolarHBondContact O-N 3.43Å
260R68.8Low73.2Confident170 Ų170103.3 Ų103.364%0.64251%0.512SS*.  trans-64.598.5-178.8-58.9-169.4-173.2172.31.1110.6A258 G262 E263A258-R260 PolarHBondContact O-N 3.5Å; A258-R260 VanDerWaalsContact O-N 3.13Å; R260-G262 PolarHBondContact O-N 3.31Å; R260-E263 WeakPolarHBondContact CD-OE1 3.19Å; R260-E263 IonicContact CZ-OE1 3.49Å; R260-E263 IonicContact NE-OE1 3.98Å; R260-E263 IonicContact NH1-OE1 2.68Å; R260-E263 PolarHBondContact NH1-OE1 3.19Å
261R57.4Low71.9Confident235 Ų235100.4 Ų100.489%0.88750%0.503SS*.  trans-91.394.1170.8-74.2-171177-164.9-0.8109.6P259P259-R261 PolarHBondContact O-N 3.43Å
262G53.6Low70.4Confident69 Ų69103 Ų10371%0.71151%0.513SS*.SBendtrans64.885173.400000112.1R260R260-G262 PolarHBondContact O-N 3.31Å
263E49.8Very low69.1Low118 Ų118103.7 Ų103.755%0.55152%0.515SS*.  trans-54.7132.2172.4-69.5179.4175.600109.6R260 H265R260-E263 WeakPolarHBondContact CD-OE1 3.19Å; R260-E263 IonicContact CZ-OE1 3.49Å; R260-E263 IonicContact NE-OE1 3.98Å; R260-E263 IonicContact NH1-OE1 2.68Å; R260-E263 PolarHBondContact NH1-OE1 3.19Å; E263-H265 PolarHBondContact O-N 3.1Å
264P49.8Very low67Low68 Ų68101.6 Ų101.644%0.44250%0.503SS..  trans-53.9136.5159.6-12.324.7000107Y58 V266Y58-P264 WeakPolarHBondContact OH-CG 3.21Å; P264-V266 HydrophobicContact CB-CG2 4.03Å; P264-V266 PolarHBondContact O-N 2.99Å
265H42.7Very low64.7Low195 Ų195105.3 Ų105.390%0.90353%0.525SS*.  trans-63.276.9165.1-88.226.2000108.7E263 T267E263-H265 PolarHBondContact O-N 3.1Å; H265-T267 PolarHBondContact O-N 3.48Å
266V50.8Low63.1Low63 Ų63110.3 Ų110.338%0.38255%0.55SS..  trans-75.4120167.3-170.80000105.1Y57 P264 R268Y57-V266 HydrophobicContact CE1-CG1 4.1Å; Y57-V266 HydrophobicContact CE1-CG2 4.41Å; Y57-V266 HydrophobicContact CE2-CG2 4.35Å; P264-V266 HydrophobicContact CB-CG2 4.03Å; P264-V266 PolarHBondContact O-N 2.99Å; V266-R268 PolarHBondContact O-N 3.09Å
267T48.4Very low61.4Low115 Ų115110.9 Ų110.971%0.70655%0.551SS**  trans-40.8138.7176.242.20000111.3H265 R269H265-T267 PolarHBondContact O-N 3.48Å; T267-R269 PolarHBondContact O-N 3.42Å
268R50.1Low59.5Low266 Ų266113.9 Ų113.9100%1.00456%0.561SS**SBendtrans-48.6-1.2-175.9-99.7-179.8171.4178.6-2.9117.6V266V266-R268 PolarHBondContact O-N 3.09Å
269R55.6Low57.6Low192 Ų192119.6 Ų119.673%0.72559%0.586SS**SBendtrans-102.4110.4177.8-162.7173.1-179.4-177.1-2.8109.2T267T267-R269 PolarHBondContact O-N 3.42Å
270T59.6Low56Low80 Ų80120.5 Ų120.549%0.49158%0.58SS.*  trans-51.2125.5168-49.80000108.9F274T270-F274 HydrophobicContact CG2-CB 3.89Å; T270-F274 HydrophobicContact CG2-CD2 3.69Å; T270-F274 HydrophobicContact CG2-CG 4.25Å
271P68.2Low55.2Low25 Ų25117.2 Ų117.216%0.16258%0.576CS.*  trans-57.5142.1175.8-22.130.7000111.9Y57 Y273 F274Y57-P271 HydrophobicContact CE1-CG 4.19Å; P271-Y273 HydrophobicContact CB-CD1 3.69Å; P271-Y273 HydrophobicContact CB-CE1 3.26Å; P271-Y273 HydrophobicContact CB-CE2 4.2Å; P271-Y273 HydrophobicContact CB-CG 4.28Å; P271-Y273 HydrophobicContact CG-CE1 4.13Å; P271-Y273 PolarHBondContact O-N 3Å; P271-Y273 VanDerWaalsContact O-N 3.17Å; P271-F274 HydrophobicContact CB-CG 4.49Å; P271-F274 HydrophobicContact CG-CD2 4.25Å; P271-F274 HydrophobicContact CG-CE1 4.4Å; P271-F274 HydrophobicContact CG-CE2 4.05Å; P271-F274 HydrophobicContact CG-CZ 4.13Å; P271-F274 WeakPolarHBondContact O-CB 3.17Å; P271-F274 PolarHBondContact O-N 3.17Å
272D66.5Low55Low112 Ų112108.8 Ų108.860%0.59955%0.554SS**G310 helixtrans-63.2-24.7-175.8-66.7-27.9000112.3F274 L275D272-F274 PolarHBondContact O-N 3.2Å; D272-L275 WeakPolarHBondContact O-CB 3.32Å; D272-L275 PolarHBondContact O-N 2.69Å
273Y70.9Confident55.1Low53 Ų53111.8 Ų111.821%0.20854%0.541CS..G310 helixtrans-78.30.9176.162.4-96.4000114.3R55 Y93 P271 L275R55-Y273 WeakPolarHBondContact CD-O 3.19Å; R55-Y273 PolarHBondContact NH1-O 3.32Å; Y93-Y273 WeakPolarHBondContact O-CD2 3.33Å; P271-Y273 HydrophobicContact CB-CD1 3.69Å; P271-Y273 HydrophobicContact CB-CE1 3.26Å; P271-Y273 HydrophobicContact CB-CE2 4.2Å; P271-Y273 HydrophobicContact CB-CG 4.28Å; P271-Y273 HydrophobicContact CG-CE1 4.13Å; P271-Y273 PolarHBondContact O-N 3Å; P271-Y273 VanDerWaalsContact O-N 3.17Å; Y273-L275 VanDerWaalsContact C-N 3.31Å
274F54.1Low55.6Low9 Ų9111.3 Ų111.34%0.03954%0.541CS..G310 helixtrans-89.11.5166-67.4-3.8000112.8R55 Y57 C232 Y233 T270 P271 D272R55-F274 WeakPolarHBondContact O-CD1 3.2Å; R55-F274 WeakPolarHBondContact O-CE1 3.29Å; R55-F274 WeakPolarHBondContact O-CZ 3.41Å; Y57-F274 HydrophobicContact CD1-CZ 4.06Å; Y57-F274 HydrophobicContact CD2-CZ 4.43Å; Y57-F274 HydrophobicContact CE1-CE1 4.45Å; Y57-F274 AromaticContact CE1-CE2 3.93Å; Y57-F274 HydrophobicContact CE1-CE2 3.93Å; Y57-F274 AromaticContact CE1-CZ 3.43Å; Y57-F274 HydrophobicContact CE1-CZ 3.43Å; Y57-F274 VanDerWaalsContact CE1-CZ 3.43Å; Y57-F274 HydrophobicContact CE2-CE2 4Å; Y57-F274 AromaticContact CE2-CZ 3.87Å; Y57-F274 HydrophobicContact CE2-CZ 3.87Å; Y57-F274 AromaticContact CZ-CE2 3.42Å; Y57-F274 VanDerWaalsContact CZ-CE2 3.42Å; Y57-F274 AromaticContact CZ-CZ 3.34Å; Y57-F274 WeakPolarHBondContact OH-CE2 3.42Å; C232-F274 HydrophobicContact CB-CB 4.38Å; Y233-F274 AromaticContact CD2-CE2 3.78Å; Y233-F274 HydrophobicContact CD2-CE2 3.78Å; Y233-F274 AromaticContact CD2-CZ 3.91Å; Y233-F274 HydrophobicContact CD2-CZ 3.91Å; Y233-F274 HydrophobicContact CE2-CE2 4.21Å; Y233-F274 AromaticContact CE2-CZ 3.85Å; Y233-F274 HydrophobicContact CE2-CZ 3.85Å; T270-F274 HydrophobicContact CG2-CB 3.89Å; T270-F274 HydrophobicContact CG2-CD2 3.69Å; T270-F274 HydrophobicContact CG2-CG 4.25Å; P271-F274 HydrophobicContact CB-CG 4.49Å; P271-F274 HydrophobicContact CG-CD2 4.25Å; P271-F274 HydrophobicContact CG-CE1 4.4Å; P271-F274 HydrophobicContact CG-CE2 4.05Å; P271-F274 HydrophobicContact CG-CZ 4.13Å; P271-F274 WeakPolarHBondContact O-CB 3.17Å; P271-F274 PolarHBondContact O-N 3.17Å; D272-F274 PolarHBondContact O-N 3.2Å
275L50.4Low56.1Low158 Ų158115.3 Ų115.383%0.82755%0.55SS*.  trans-91.40174.8-63164.2000111.7R55 D272 Y273R55-L275 PolarHBondContact NH1-O 2.71Å; D272-L275 WeakPolarHBondContact O-CB 3.32Å; D272-L275 PolarHBondContact O-N 2.69Å; Y273-L275 VanDerWaalsContact C-N 3.31Å

Retrieved 275 of 275 residues in 86.6 ms (Link to these results)

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