A0A093KBG1_STRCA Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A093KBG1, 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
1A96.5Very high98.4Very high38 Ų3859.1 Ų59.131%0.31430%0.303SS..  0-61.8000000111.6E3 I4 L5 V67 V71 L115A1-E3 VanDerWaalsContact C-N 3.3Å; A1-E3 PolarHBondContact O-N 2.92Å; A1-I4 WeakPolarHBondContact O-CA 3.28Å; A1-I4 WeakPolarHBondContact O-CB 3.37Å; A1-I4 PolarHBondContact O-N 3.1Å; A1-L5 PolarHBondContact O-N 3.39Å; A1-V67 HydrophobicContact CB-CG1 3.59Å; A1-V71 HydrophobicContact CB-CG2 3.77Å; A1-L115 HydrophobicContact CB-CD1 3.57Å; A1-L115 HydrophobicContact CB-CD2 4.03Å; A1-L115 HydrophobicContact CB-CG 4.49Å
2K98.3Very high98.4Very high76 Ų7657.4 Ų57.433%0.3329%0.293SS..Hα-helixtrans-50.3-45177.6-61.9-170.7-172.6-163.80114.1I4 L5 T6 D114 L115 Y118K2-I4 PolarHBondContact O-N 2.79Å; K2-L5 PolarHBondContact O-N 2.79Å; K2-T6 VanDerWaalsContact O-CB 3.3Å; K2-T6 WeakPolarHBondContact O-CB 3.49Å; K2-T6 PolarHBondContact O-N 2.95Å; K2-D114 VanDerWaalsContact CE-C 3.5Å; K2-D114 WeakPolarHBondContact CE-O 3.36Å; K2-D114 VanDerWaalsContact NZ-C 3.28Å; K2-D114 PolarHBondContact NZ-O 3.24Å; K2-L115 HydrophobicContact CB-CD1 4.43Å; K2-L115 HydrophobicContact CG-CB 4.47Å; K2-L115 HydrophobicContact CG-CD1 3.56Å; K2-Y118 HydrophobicContact CB-CD1 4.2Å; K2-Y118 HydrophobicContact CB-CD2 4.47Å; K2-Y118 HydrophobicContact CB-CE1 4.29Å; K2-Y118 HydrophobicContact CB-CG 4.29Å; K2-Y118 HydrophobicContact CD-CD2 4.05Å; K2-Y118 HydrophobicContact CD-CE2 3.79Å; K2-Y118 HydrophobicContact CG-CD2 4.03Å; K2-Y118 HydrophobicContact CG-CE2 4.24Å; K2-Y118 HydrophobicContact CG-CG 4.25Å
3E98.4Very high98.4Very high159 Ų15960.3 Ų60.374%0.74331%0.305SS*.Hα-helixtrans-63.3-23.8177.4-65.3179177.800114.8A1 K7A1-E3 VanDerWaalsContact C-N 3.3Å; A1-E3 PolarHBondContact O-N 2.92Å; E3-K7 WeakPolarHBondContact O-CE 3.25Å
4I98.6Very high98.5Very high43 Ų4357.2 Ų57.222%0.22129%0.29CS..Hα-helixtrans-83.1-56.3175.3-65.4168.8000107.9A1 K2 T6 K7 V71 P74A1-I4 WeakPolarHBondContact O-CA 3.28Å; A1-I4 WeakPolarHBondContact O-CB 3.37Å; A1-I4 PolarHBondContact O-N 3.1Å; K2-I4 PolarHBondContact O-N 2.79Å; I4-T6 VanDerWaalsContact C-N 3.28Å; I4-T6 PolarHBondContact O-N 2.97Å; I4-K7 WeakPolarHBondContact O-CB 3.33Å; I4-K7 PolarHBondContact O-N 3.24Å; I4-V71 HydrophobicContact CD1-CB 4.36Å; I4-V71 HydrophobicContact CD1-CG1 4.48Å; I4-V71 HydrophobicContact CD1-CG2 4.22Å; I4-P74 HydrophobicContact CG2-CB 3.97Å
5L98.6Very high98.5Very high1 Ų167.3 Ų67.31%0.00532%0.323CS..Hα-helixtrans-62.1-31.7-175.7-63.1173.7000112.9A1 K2 K7 E8 K70 I79 L115 L119 R151A1-L5 PolarHBondContact O-N 3.39Å; K2-L5 PolarHBondContact O-N 2.79Å; L5-K7 PolarHBondContact O-N 3.25Å; L5-K7 VanDerWaalsContact O-N 3.14Å; L5-E8 WeakPolarHBondContact CD2-OE2 3.45Å; L5-E8 WeakPolarHBondContact O-CB 3.37Å; L5-E8 PolarHBondContact O-N 2.88Å; L5-K70 HydrophobicContact CD2-CG 4.31Å; L5-I79 HydrophobicContact CD2-CG1 4.42Å; L5-L115 HydrophobicContact CD1-CD1 3.68Å; L5-L115 HydrophobicContact CD1-CG 4.5Å; L5-L119 HydrophobicContact CD1-CD2 3.87Å; L5-L119 HydrophobicContact CD2-CD2 4.48Å; L5-R151 PolarHBondContact O-NH2 3.01Å
6T98.3Very high98.4Very high75 Ų7564.3 Ų64.346%0.4631%0.311SS..THydrogen-bonded Turntrans-62-21176.1-159.20000113.4K2 I4K2-T6 VanDerWaalsContact O-CB 3.3Å; K2-T6 WeakPolarHBondContact O-CB 3.49Å; K2-T6 PolarHBondContact O-N 2.95Å; I4-T6 VanDerWaalsContact C-N 3.28Å; I4-T6 PolarHBondContact O-N 2.97Å
7K98.4Very high98.4Very high180 Ų18063.5 Ų63.578%0.78331%0.312SS*.THydrogen-bonded Turntrans-90-9.6177.4-58.5176.6-175.9174.90112.5E3 I4 L5E3-K7 WeakPolarHBondContact O-CE 3.25Å; I4-K7 WeakPolarHBondContact O-CB 3.33Å; I4-K7 PolarHBondContact O-N 3.24Å; L5-K7 PolarHBondContact O-N 3.25Å; L5-K7 VanDerWaalsContact O-N 3.14Å
8E98.6Very high98.4Very high21 Ų2160.2 Ų60.210%0.09830%0.296CS..SBendtrans-87.6141.3-178.9-70177.1-165.200110.5L5 K70 P120 R151L5-E8 WeakPolarHBondContact CD2-OE2 3.45Å; L5-E8 WeakPolarHBondContact O-CB 3.37Å; L5-E8 PolarHBondContact O-N 2.88Å; E8-K70 WeakPolarHBondContact OE1-CE 3.48Å; E8-K70 IonicContact OE1-NZ 3.48Å; E8-K70 PolarHBondContact OE1-NZ 3.45Å; E8-K70 IonicContact OE2-NZ 3.49Å; E8-K70 PolarHBondContact OE2-NZ 2.91Å; E8-P120 HydrophobicContact CB-CG 3.85Å; E8-P120 WeakPolarHBondContact OE2-CG 3.33Å; E8-R151 VanDerWaalsContact O-CZ 3.3Å; E8-R151 PolarHBondContact O-NH1 3.06Å; E8-R151 PolarHBondContact O-NH2 2.99Å
9S98.7Very high98.5Very high46 Ų4657.3 Ų57.332%0.32228%0.282SS..  trans-73.4158-178.3169.70000111V11 P120 R151S9-V11 WeakPolarHBondContact CB-O 2.99Å; S9-V11 PolarHBondContact O-N 2.99Å; S9-V11 PolarHBondContact OG-N 2.83Å; S9-V11 VanDerWaalsContact OG-N 3.09Å; S9-V11 PolarHBondContact OG-O 3.1Å; S9-P120 WeakPolarHBondContact O-CB 3.39Å; S9-R151 VanDerWaalsContact C-NH1 3.34Å
10N98.9Very high98.5Very high11 Ų1154.4 Ų54.46%0.05927%0.268CS..SBendtrans-63-30.3169-67.2-14000111.9L121 T122 I146 L149 R151N10-L121 PolarHBondContact O-N 2.86Å; N10-T122 CarbonylContact O-C 3.52Å; N10-T122 PolarHBondContact O-N 3.31Å; N10-T122 VanDerWaalsContact O-O 3.06Å; N10-T122 PolarHBondContact O-OG1 2.9Å; N10-T122 VanDerWaalsContact O-OG1 3.04Å; N10-I146 HydrophobicContact CB-CG2 4.13Å; N10-I146 VanDerWaalsContact CB-O 3.31Å; N10-I146 WeakPolarHBondContact CB-O 3.17Å; N10-I146 PolarHBondContact ND2-O 3.36Å; N10-L149 PolarHBondContact ND2-O 2.91Å; N10-R151 WeakPolarHBondContact OD1-CD 3.45Å; N10-R151 VanDerWaalsContact OD1-CG 3.26Å; N10-R151 WeakPolarHBondContact OD1-CG 3.42Å; N10-R151 PolarHBondContact OD1-NH1 2.88Å
11V98.9Very high98.5Very high0 Ų051.8 Ų51.80%026%0.255CS..EExtended strand (participates in β ladder)trans-106.789.3167.2-174.50000106.4S9 E13 T122 L124 I146 R147S9-V11 WeakPolarHBondContact CB-O 2.99Å; S9-V11 PolarHBondContact O-N 2.99Å; S9-V11 PolarHBondContact OG-N 2.83Å; S9-V11 VanDerWaalsContact OG-N 3.09Å; S9-V11 PolarHBondContact OG-O 3.1Å; V11-E13 PolarHBondContact O-N 2.93Å; V11-T122 WeakPolarHBondContact CA-OG1 3.24Å; V11-L124 HydrophobicContact CG1-CB 3.85Å; V11-I146 HydrophobicContact CG2-CB 3.69Å; V11-I146 HydrophobicContact CG2-CG2 3.7Å; V11-R147 HydrophobicContact CB-CG 4.01Å; V11-R147 HydrophobicContact CG2-CG 3.68Å
12Q98.8Very high98.6Very high39 Ų3950 Ų5018%0.18224%0.24CC..EExtended strand (participates in β ladder)trans-76.5117.1-176179.353.541.500110.4V14 T78 P120 T122 A123 L124Q12-V14 HydrophobicContact CG-CG2 4.41Å; Q12-V14 PolarHBondContact O-N 3.02Å; Q12-T78 HydrophobicContact CG-CG2 4.09Å; Q12-P120 HydrophobicContact CB-CB 4.18Å; Q12-P120 HydrophobicContact CB-CG 4.41Å; Q12-T122 PolarHBondContact N-O 2.96Å; Q12-A123 HydrophobicContact CB-CB 4.37Å; Q12-A123 CarbonylContact O-C 3.45Å; Q12-A123 WeakPolarHBondContact O-CA 3.4Å; Q12-A123 VanDerWaalsContact O-CB 3.27Å; Q12-A123 WeakPolarHBondContact O-CB 3.41Å; Q12-L124 PolarHBondContact O-N 3.04Å
13E98.7Very high98.7Very high95 Ų9546.5 Ų46.544%0.44423%0.225SC..EExtended strand (participates in β ladder)trans-67.8132.3175.1-60.1-64.3148.800110V11 R147V11-E13 PolarHBondContact O-N 2.93Å; E13-R147 IonicContact OE1-NH2 2.85Å; E13-R147 PolarHBondContact OE1-NH2 3.18Å
14V98.7Very high98.7Very high17 Ų1739 Ų3910%0.10319%0.191CC..EExtended strand (participates in β ladder)trans-132.2140.6179.3177.50000108.5Q12 V18 L47 T78 A123 L124 V125 D126Q12-V14 HydrophobicContact CG-CG2 4.41Å; Q12-V14 PolarHBondContact O-N 3.02Å; V14-V18 HydrophobicContact CG1-CB 4.32Å; V14-V18 HydrophobicContact CG1-CG1 4.25Å; V14-V18 HydrophobicContact CG1-CG2 4.11Å; V14-L47 HydrophobicContact CB-CD1 4.49Å; V14-L47 HydrophobicContact CG1-CD1 4.44Å; V14-L47 HydrophobicContact CG2-CD1 4.18Å; V14-T78 HydrophobicContact CG2-CG2 4.24Å; V14-T78 WeakPolarHBondContact CG2-OG1 3.26Å; V14-A123 HydrophobicContact CG2-CB 4.08Å; V14-L124 PolarHBondContact N-O 3.21Å; V14-V125 HydrophobicContact CB-CG2 4.17Å; V14-V125 HydrophobicContact CG1-CG2 4.32Å; V14-V125 VanDerWaalsContact O-CA 3.31Å; V14-V125 WeakPolarHBondContact O-CA 3.1Å; V14-D126 PolarHBondContact O-N 2.98Å
15R98.4Very high98.7Very high208 Ų20837.1 Ų37.179%0.78518%0.181SC*.PPolyproline II helixtrans-102.4147.5176.7-67.5-172.4-178.5171.61.1111.6D126R15-D126 WeakPolarHBondContact CA-OD1 3.41Å
16C97.8Very high98.6Very high20 Ų2037 Ų3714%0.13518%0.18CC..SBendtrans-70.8157.6164.4-77.70000112.2V125 D126 D245 L248C16-V125 VanDerWaalsContact SG-CG1 3.51Å; C16-D126 WeakPolarHBondContact CB-OD2 3.45Å; C16-D126 PolarHBondContact N-OD1 3.02Å; C16-D245 VanDerWaalsContact CB-O 3.28Å; C16-D245 WeakPolarHBondContact CB-O 3.37Å; C16-L248 WeakPolarHBondContact SG-CD1 3.36Å
17P98.6Very high98.7Very high50 Ų5033.7 Ų33.733%0.32516%0.16SC..SBendcis-75.5147.7-5.231.3-33.4000111.7N45 L244 D246P17-N45 WeakPolarHBondContact O-CB 3.44Å; P17-N45 PolarHBondContact O-ND2 2.91Å; P17-L244 CarbonylContact C-O 3.53Å; P17-L244 WeakPolarHBondContact CA-O 3.24Å; P17-L244 WeakPolarHBondContact CB-O 3.27Å; P17-D246 WeakPolarHBondContact CD-OD1 3.42Å
18V98.9Very high98.6Very high4 Ų427.4 Ų27.42%0.02413%0.132CC..EExtended strand (participates in β ladder)trans-152.3142.9179.866.10000112.2V14 V20 N45 L47 V125 L244V14-V18 HydrophobicContact CG1-CB 4.32Å; V14-V18 HydrophobicContact CG1-CG1 4.25Å; V14-V18 HydrophobicContact CG1-CG2 4.11Å; V18-V20 HydrophobicContact CG1-CG2 4.49Å; V18-N45 HydrophobicContact CB-CB 4.38Å; V18-N45 HydrophobicContact CG2-CB 4.26Å; V18-L47 HydrophobicContact CG2-CB 3.89Å; V18-V125 HydrophobicContact CG1-CG1 3.76Å; V18-V125 HydrophobicContact CG1-CG2 4.29Å; V18-L244 HydrophobicContact CG1-CB 4.16Å; V18-L244 HydrophobicContact CG1-CD1 3.91Å; V18-L244 PolarHBondContact N-O 3.25Å; V18-L244 WeakPolarHBondContact O-CB 3.39Å; V18-L244 PolarHBondContact O-N 2.93Å
19T98.9Very high98.6Very high5 Ų530.5 Ų30.53%0.03115%0.147CC..EExtended strand (participates in β ladder)trans-99.7115.1173.6-57.10000110.1T44 N45 Y46 L47 I241 M242 E243T19-T44 VanDerWaalsContact OG1-CG2 3.24Å; T19-T44 WeakPolarHBondContact OG1-CG2 3.47Å; T19-N45 PolarHBondContact N-O 3.13Å; T19-Y46 HydrophobicContact CG2-CD1 4.1Å; T19-Y46 HydrophobicContact CG2-CE1 3.66Å; T19-Y46 WeakPolarHBondContact O-CA 3.24Å; T19-L47 PolarHBondContact O-N 3.38Å; T19-I241 HydrophobicContact CG2-CB 3.93Å; T19-I241 HydrophobicContact CG2-CD1 3.85Å; T19-I241 HydrophobicContact CG2-CG1 4.21Å; T19-M242 CarbonylContact C-O 3.47Å; T19-M242 WeakPolarHBondContact CA-O 3.27Å; T19-E243 HydrophobicContact CG2-CG 4.25Å
20V98.9Very high98.6Very high0 Ų028.8 Ų28.80%013%0.134CC..EExtended strand (participates in β ladder)trans-89.2129.7179.6-176.30000110.2V18 L47 M49 I225 M242 L244V18-V20 HydrophobicContact CG1-CG2 4.49Å; V20-L47 CarbonylContact C-O 3.07Å; V20-L47 VanDerWaalsContact CA-O 3.32Å; V20-L47 WeakPolarHBondContact CA-O 3.42Å; V20-L47 HydrophobicContact CG1-CD2 4.36Å; V20-L47 HydrophobicContact CG2-CB 4.38Å; V20-M49 HydrophobicContact CG1-CE 3.76Å; V20-M49 HydrophobicContact CG1-CG 4.11Å; V20-M49 HydrophobicContact CG1-SD 3.77Å; V20-I225 HydrophobicContact CB-CD1 4.41Å; V20-I225 HydrophobicContact CG1-CD1 4.03Å; V20-M242 HydrophobicContact CB-CB 4.3Å; V20-M242 PolarHBondContact N-O 3.48Å; V20-M242 PolarHBondContact O-N 3.49Å; V20-L244 HydrophobicContact CG2-CD1 4.04Å
21C98.9Very high98.6Very high0 Ų028.3 Ų28.30%013%0.131CC..EExtended strand (participates in β ladder)trans-125.5141.9-176.9-530000110.2L34 L47 F48 M49 I241C21-L34 HydrophobicContact CB-CD1 4.26Å; C21-L47 PolarHBondContact N-O 3.3Å; C21-F48 HydrophobicContact CB-CD1 3.46Å; C21-F48 VanDerWaalsContact CB-CD1 3.46Å; C21-F48 HydrophobicContact CB-CE1 3.6Å; C21-F48 HydrophobicContact CB-CG 4Å; C21-F48 HydrophobicContact CB-CZ 4.27Å; C21-M49 WeakPolarHBondContact O-CG 3.22Å; C21-M49 PolarHBondContact O-N 2.96Å; C21-I241 HydrophobicContact CB-CG2 4.32Å
22G98.9Very high98.5Very high0 Ų030.7 Ų30.70%014%0.143CC..  trans-91.5-149172.200000112.7I225 S227G22-I225 WeakPolarHBondContact CA-O 3.29Å; G22-S227 PolarHBondContact N-OG 2.72Å
23D98.9Very high98.5Very high2 Ų231 Ų311%0.01114%0.144CC..BIsolated β-bridgetrans-58.8143.3-175.7-53.227.9000112.5H25 D51 H133 A206 H207 F226 S227 A228D23-H25 IonicContact OD2-CD2 3.51Å; D23-H25 IonicContact OD2-NE2 3.15Å; D23-D51 HydrophobicContact CB-CB 4.06Å; D23-H133 IonicContact OD1-CE1 3.91Å; D23-H133 PolarHBondContact OD1-CE1 3.28Å; D23-H133 IonicContact OD2-CE1 3.81Å; D23-A206 WeakPolarHBondContact OD1-CB 3.45Å; D23-H207 PolarHBondContact OD1-N 2.93Å; D23-H207 WeakPolarHBondContact OD2-CA 3.42Å; D23-F226 HydrophobicContact CB-CD2 3.89Å; D23-F226 HydrophobicContact CB-CE2 3.58Å; D23-F226 HydrophobicContact CB-CZ 4.07Å; D23-F226 VanDerWaalsContact CG-CE2 3.5Å; D23-F226 WeakPolarHBondContact OD2-CE2 3.13Å; D23-S227 CarbonylContact O-C 3.5Å; D23-S227 VanDerWaalsContact O-CA 3.26Å; D23-S227 WeakPolarHBondContact O-CA 3.48Å; D23-S227 WeakPolarHBondContact O-CB 3.49Å; D23-S227 PolarHBondContact O-N 3.47Å; D23-S227 VanDerWaalsContact O-N 3.14Å; D23-A228 PolarHBondContact O-N 3.21Å
24V98.8Very high98.5Very high3 Ų326.5 Ų26.52%0.01812%0.123CC..  trans-122.7-34.7177.8-177.10000112.4G26 Q27 L31 F48 D51 T62V24-G26 PolarHBondContact O-N 3.49Å; V24-Q27 WeakPolarHBondContact O-CB 3.32Å; V24-Q27 PolarHBondContact O-N 3.43Å; V24-Q27 VanDerWaalsContact O-N 3.11Å; V24-L31 HydrophobicContact CG1-CB 3.98Å; V24-F48 HydrophobicContact CG2-CD1 4.19Å; V24-F48 HydrophobicContact CG2-CE1 4.2Å; V24-D51 PolarHBondContact N-O 2.91Å; V24-T62 HydrophobicContact CB-CG2 4.31Å; V24-T62 HydrophobicContact CG1-CG2 3.64Å
25H98.6Very high98.5Very high2 Ų226.7 Ų26.71%0.00912%0.123CC..THydrogen-bonded Turntrans47.152.8171.7-77.2-62.4000115D23 Q27 D51 V53 D54 R55 G56 H84 Y231D23-H25 IonicContact OD2-CD2 3.51Å; D23-H25 IonicContact OD2-NE2 3.15Å; H25-Q27 PolarHBondContact O-N 2.78Å; H25-D51 IonicContact CE1-OD2 3.54Å; H25-D51 PolarHBondContact N-O 3Å; H25-D51 IonicContact NE2-OD2 3.96Å; H25-V53 PolarHBondContact ND1-O 3.22Å; H25-D54 CarbonylContact C-O 3.54Å; H25-D54 WeakPolarHBondContact CA-O 3.49Å; H25-D54 WeakPolarHBondContact CB-O 3.21Å; H25-D54 VanDerWaalsContact O-O 3.08Å; H25-R55 HydrophobicContact CB-CB 4.39Å; H25-G56 WeakPolarHBondContact O-CA 3.25Å; H25-G56 PolarHBondContact O-N 3.28Å; H25-H84 AromaticContact CE1-CD2 3.52Å; H25-H84 AromaticContact CE1-CE1 3.95Å; H25-H84 AromaticContact CE1-CG 3.7Å; H25-H84 AromaticContact CE1-ND1 3.98Å; H25-H84 AromaticContact CE1-NE2 3.69Å; H25-Y231 HydrophobicContact CB-CD2 4.46Å; H25-Y231 HydrophobicContact CB-CE2 3.66Å; H25-Y231 AromaticContact CD2-CE2 3.16Å; H25-Y231 WeakPolarHBondContact CD2-CE2 3.32Å; H25-Y231 AromaticContact CD2-CZ 3.51Å; H25-Y231 PolarHBondContact CD2-OH 2.87Å; H25-Y231 PolarHBondContact CE1-OH 3.47Å; H25-Y231 AromaticContact CG-CE2 3.57Å; H25-Y231 AromaticContact NE2-CE2 3.87Å; H25-Y231 AromaticContact NE2-CZ 3.7Å; H25-Y231 PolarHBondContact NE2-OH 3.3Å
26G98.1Very high98.4Very high0 Ų024.5 Ų24.50%012%0.115CC..THydrogen-bonded Turntrans62.314.1175.100000115.5V24 F28 Y52 Y58V24-G26 PolarHBondContact O-N 3.49Å; G26-F28 PolarHBondContact O-N 2.81Å; G26-Y52 PolarHBondContact N-O 2.95Å; G26-Y58 CarbonylContact O-C 3.54Å; G26-Y58 WeakPolarHBondContact O-CA 3.31Å; G26-Y58 WeakPolarHBondContact O-CB 3.24Å; G26-Y58 PolarHBondContact O-N 3Å; G26-Y58 VanDerWaalsContact O-N 3.14Å
27Q98.4Very high98.4Very high5 Ų526 Ų262%0.02312%0.121CC..  trans-81.564.3173-74.1-172.7-161.500110.8V24 H25 H29 D30 L31 P229 Y233V24-Q27 WeakPolarHBondContact O-CB 3.32Å; V24-Q27 PolarHBondContact O-N 3.43Å; V24-Q27 VanDerWaalsContact O-N 3.11Å; H25-Q27 PolarHBondContact O-N 2.78Å; Q27-H29 VanDerWaalsContact C-N 3.29Å; Q27-H29 PolarHBondContact O-N 2.78Å; Q27-H29 VanDerWaalsContact O-N 3.15Å; Q27-D30 HydrophobicContact CB-CB 4.12Å; Q27-D30 WeakPolarHBondContact CB-OD2 3.46Å; Q27-D30 PolarHBondContact NE2-OD2 2.84Å; Q27-D30 WeakPolarHBondContact O-CA 3.3Å; Q27-D30 WeakPolarHBondContact O-CB 3.41Å; Q27-D30 PolarHBondContact O-N 2.75Å; Q27-L31 PolarHBondContact O-N 2.89Å; Q27-P229 PolarHBondContact NE2-O 2.87Å; Q27-Y233 HydrophobicContact CG-CE1 4.2Å
28F98.3Very high98.4Very high47 Ų4723.9 Ų23.921%0.20611%0.108CC..Hα-helixtrans-53.9-39.2-171.9-179.3-99.7000114.5G26 D30 L31 M32 Y58 E61 L65G26-F28 PolarHBondContact O-N 2.81Å; F28-D30 VanDerWaalsContact C-N 3.3Å; F28-D30 PolarHBondContact O-N 2.83Å; F28-L31 WeakPolarHBondContact O-CB 3.41Å; F28-L31 PolarHBondContact O-N 2.98Å; F28-M32 HydrophobicContact CD1-CG 4.42Å; F28-M32 HydrophobicContact CE1-CG 4.04Å; F28-M32 HydrophobicContact CE1-SD 4.39Å; F28-M32 HydrophobicContact CE2-CE 4Å; F28-M32 HydrophobicContact CZ-CE 3.99Å; F28-M32 HydrophobicContact CZ-CG 4.33Å; F28-M32 HydrophobicContact CZ-SD 4.13Å; F28-M32 WeakPolarHBondContact O-CG 3.47Å; F28-M32 PolarHBondContact O-N 2.91Å; F28-Y58 VanDerWaalsContact CB-CB 3.48Å; F28-Y58 HydrophobicContact CB-CG 4.19Å; F28-E61 HydrophobicContact CD2-CB 3.62Å; F28-E61 HydrophobicContact CE2-CB 3.87Å; F28-E61 HydrophobicContact CG-CB 4.02Å; F28-E61 HydrophobicContact CZ-CB 4.47Å; F28-L65 HydrophobicContact CE2-CB 4.37Å; F28-L65 HydrophobicContact CE2-CD2 3.93Å; F28-L65 HydrophobicContact CZ-CD2 4.49Å
29H97.6Very high98.3Very high87 Ų8724.9 Ų24.940%0.40312%0.119SC..Hα-helixtrans-67.6-33.1178.5-64.4-56.7000112.6Q27 M32 E33 Y58 A258Q27-H29 VanDerWaalsContact C-N 3.29Å; Q27-H29 PolarHBondContact O-N 2.78Å; Q27-H29 VanDerWaalsContact O-N 3.15Å; H29-M32 WeakPolarHBondContact O-CB 3.42Å; H29-M32 PolarHBondContact O-N 2.83Å; H29-E33 PolarHBondContact O-N 2.88Å; H29-E33 VanDerWaalsContact O-N 3.16Å; H29-Y58 AromaticContact NE2-CE2 3.88Å; H29-A258 HydrophobicContact CB-CB 4.3Å; H29-A258 WeakPolarHBondContact O-CB 3.1Å
30D98.2Very high98.2Very high9 Ų931.8 Ų31.85%0.04815%0.148CC..Hα-helixtrans-76.8-31.6176.1-55.1-48.3000110.8Q27 F28 M32 E33 L34 P229 P257 A258Q27-D30 HydrophobicContact CB-CB 4.12Å; Q27-D30 WeakPolarHBondContact CB-OD2 3.46Å; Q27-D30 PolarHBondContact NE2-OD2 2.84Å; Q27-D30 WeakPolarHBondContact O-CA 3.3Å; Q27-D30 WeakPolarHBondContact O-CB 3.41Å; Q27-D30 PolarHBondContact O-N 2.75Å; F28-D30 VanDerWaalsContact C-N 3.3Å; F28-D30 PolarHBondContact O-N 2.83Å; D30-M32 VanDerWaalsContact C-N 3.26Å; D30-M32 PolarHBondContact O-N 3.22Å; D30-E33 WeakPolarHBondContact O-CA 3.24Å; D30-E33 WeakPolarHBondContact O-CB 3.44Å; D30-E33 PolarHBondContact O-N 3.21Å; D30-E33 VanDerWaalsContact O-N 3.09Å; D30-L34 PolarHBondContact O-N 3.41Å; D30-P229 HydrophobicContact CB-CG 3.8Å; D30-P257 WeakPolarHBondContact OD1-CA 3.37Å; D30-A258 WeakPolarHBondContact OD1-CB 3.23Å; D30-A258 PolarHBondContact OD1-N 3.22Å
31L98.5Very high98.1Very high2 Ų232.8 Ų32.81%0.0116%0.155CC..Hα-helixtrans-60.4-36.4166.4178.362.4000111.8V24 Q27 F28 E33 L34 F35 F48 T62 L65 L66V24-L31 HydrophobicContact CG1-CB 3.98Å; Q27-L31 PolarHBondContact O-N 2.89Å; F28-L31 WeakPolarHBondContact O-CB 3.41Å; F28-L31 PolarHBondContact O-N 2.98Å; L31-E33 VanDerWaalsContact C-N 3.3Å; L31-L34 HydrophobicContact CD1-CD1 4.45Å; L31-L34 WeakPolarHBondContact O-CB 3.24Å; L31-L34 PolarHBondContact O-N 2.77Å; L31-F35 HydrophobicContact CD1-CD2 4.31Å; L31-F35 HydrophobicContact CD1-CE2 3.7Å; L31-F35 HydrophobicContact CD1-CZ 3.9Å; L31-F35 HydrophobicContact CD2-CE2 4.14Å; L31-F35 HydrophobicContact CG-CD2 4.2Å; L31-F35 HydrophobicContact CG-CE2 3.68Å; L31-F35 HydrophobicContact CG-CZ 4.36Å; L31-F35 VanDerWaalsContact O-CD2 3.24Å; L31-F35 WeakPolarHBondContact O-CD2 3.25Å; L31-F35 PolarHBondContact O-N 3.42Å; L31-F35 VanDerWaalsContact O-N 3.16Å; L31-F48 HydrophobicContact CD1-CE1 3.84Å; L31-F48 HydrophobicContact CD1-CZ 3.97Å; L31-T62 HydrophobicContact CD2-CG2 3.96Å; L31-L65 HydrophobicContact CD2-CD2 4.23Å; L31-L66 HydrophobicContact CD1-CD2 4.46Å; L31-L66 HydrophobicContact CD2-CD2 4.24Å; L31-L66 HydrophobicContact CD2-CG 4.25Å
32M98.2Very high98Very high49 Ų4934.3 Ų34.324%0.24117%0.165CC..Hα-helixtrans-67.8-33.3174.3-65.2-59.99600111.9F28 H29 D30 F35 R36 L65F28-M32 HydrophobicContact CD1-CG 4.42Å; F28-M32 HydrophobicContact CE1-CG 4.04Å; F28-M32 HydrophobicContact CE1-SD 4.39Å; F28-M32 HydrophobicContact CE2-CE 4Å; F28-M32 HydrophobicContact CZ-CE 3.99Å; F28-M32 HydrophobicContact CZ-CG 4.33Å; F28-M32 HydrophobicContact CZ-SD 4.13Å; F28-M32 WeakPolarHBondContact O-CG 3.47Å; F28-M32 PolarHBondContact O-N 2.91Å; H29-M32 WeakPolarHBondContact O-CB 3.42Å; H29-M32 PolarHBondContact O-N 2.83Å; D30-M32 VanDerWaalsContact C-N 3.26Å; D30-M32 PolarHBondContact O-N 3.22Å; M32-F35 HydrophobicContact CE-CD2 3.73Å; M32-F35 HydrophobicContact CE-CE2 3.95Å; M32-R36 WeakPolarHBondContact O-CG 3.47Å; M32-R36 PolarHBondContact O-N 2.82Å; M32-L65 HydrophobicContact CE-CD2 3.24Å
33E97.9Very high98Very high45 Ų4540.8 Ų40.821%0.2120%0.2CC..Hα-helixtrans-68.3-42.8173.2-16761.3-161.400111.2H29 D30 L31 F35 R36 I37 F255 A258H29-E33 PolarHBondContact O-N 2.88Å; H29-E33 VanDerWaalsContact O-N 3.16Å; D30-E33 WeakPolarHBondContact O-CA 3.24Å; D30-E33 WeakPolarHBondContact O-CB 3.44Å; D30-E33 PolarHBondContact O-N 3.21Å; D30-E33 VanDerWaalsContact O-N 3.09Å; L31-E33 VanDerWaalsContact C-N 3.3Å; E33-F35 VanDerWaalsContact C-N 3.29Å; E33-F35 PolarHBondContact O-N 2.9Å; E33-R36 WeakPolarHBondContact O-CA 3.24Å; E33-R36 WeakPolarHBondContact O-CB 3.06Å; E33-R36 PolarHBondContact O-N 2.87Å; E33-R36 WeakPolarHBondContact OE2-CD 3.27Å; E33-R36 IonicContact OE2-CZ 3.85Å; E33-R36 IonicContact OE2-NE 2.67Å; E33-R36 IonicContact OE2-NH1 3.68Å; E33-R36 PolarHBondContact OE2-NH1 3.46Å; E33-I37 HydrophobicContact CG-CD1 3.89Å; E33-I37 WeakPolarHBondContact O-CD1 3.37Å; E33-I37 WeakPolarHBondContact O-CG1 3.5Å; E33-I37 PolarHBondContact O-N 2.86Å; E33-F255 HydrophobicContact CG-CD2 4.23Å; E33-A258 HydrophobicContact CB-CB 4.09Å
34L98.6Very high97.9Very high1 Ų142.3 Ų42.31%0.00521%0.209CC..Hα-helixtrans-52.3-45.8173.2-176.3159.8000111.7C21 D30 L31 R36 I37 G38 Y46 F48 I241 F255C21-L34 HydrophobicContact CB-CD1 4.26Å; D30-L34 PolarHBondContact O-N 3.41Å; L31-L34 HydrophobicContact CD1-CD1 4.45Å; L31-L34 WeakPolarHBondContact O-CB 3.24Å; L31-L34 PolarHBondContact O-N 2.77Å; L34-R36 VanDerWaalsContact C-N 3.31Å; L34-R36 PolarHBondContact O-N 2.84Å; L34-I37 PolarHBondContact O-N 2.9Å; L34-G38 PolarHBondContact O-N 2.94Å; L34-Y46 HydrophobicContact CD2-CD1 4.5Å; L34-Y46 HydrophobicContact CD2-CE1 3.68Å; L34-F48 HydrophobicContact CD1-CE1 4.23Å; L34-F48 HydrophobicContact CD2-CZ 4.2Å; L34-I241 HydrophobicContact CD1-CG2 3.68Å; L34-I241 HydrophobicContact CD2-CG2 4.34Å; L34-I241 HydrophobicContact CG-CG2 3.74Å; L34-F255 HydrophobicContact CB-CZ 4.01Å; L34-F255 HydrophobicContact CD1-CZ 4.32Å; L34-F255 HydrophobicContact CG-CZ 4.39Å
35F98.4Very high97.9Very high22 Ų2243.8 Ų43.810%0.09622%0.217CC..Hα-helixtrans-71.6-19.2175.3-67.3-50.1000114.4L31 M32 E33 G39 Y46 F48 L65 L66 L69L31-F35 HydrophobicContact CD1-CD2 4.31Å; L31-F35 HydrophobicContact CD1-CE2 3.7Å; L31-F35 HydrophobicContact CD1-CZ 3.9Å; L31-F35 HydrophobicContact CD2-CE2 4.14Å; L31-F35 HydrophobicContact CG-CD2 4.2Å; L31-F35 HydrophobicContact CG-CE2 3.68Å; L31-F35 HydrophobicContact CG-CZ 4.36Å; L31-F35 VanDerWaalsContact O-CD2 3.24Å; L31-F35 WeakPolarHBondContact O-CD2 3.25Å; L31-F35 PolarHBondContact O-N 3.42Å; L31-F35 VanDerWaalsContact O-N 3.16Å; M32-F35 HydrophobicContact CE-CD2 3.73Å; M32-F35 HydrophobicContact CE-CE2 3.95Å; E33-F35 VanDerWaalsContact C-N 3.29Å; E33-F35 PolarHBondContact O-N 2.9Å; F35-G39 CarbonylContact O-C 3.5Å; F35-G39 VanDerWaalsContact O-CA 3.32Å; F35-G39 WeakPolarHBondContact O-CA 3.41Å; F35-G39 PolarHBondContact O-N 2.86Å; F35-G39 VanDerWaalsContact O-O 3.06Å; F35-Y46 HydrophobicContact CD1-CE1 4.45Å; F35-Y46 AromaticContact CD1-CE2 3.82Å; F35-Y46 HydrophobicContact CD1-CE2 3.82Å; F35-Y46 AromaticContact CD1-CZ 3.76Å; F35-Y46 HydrophobicContact CE1-CD2 4.13Å; F35-Y46 HydrophobicContact CE1-CE1 4.37Å; F35-Y46 AromaticContact CE1-CE2 3.83Å; F35-Y46 HydrophobicContact CE1-CE2 3.83Å; F35-Y46 AromaticContact CE1-CZ 3.96Å; F35-F48 HydrophobicContact CE1-CZ 4.14Å; F35-F48 HydrophobicContact CZ-CZ 4.11Å; F35-L65 HydrophobicContact CE2-CD2 4.03Å; F35-L66 HydrophobicContact CZ-CD2 4.27Å; F35-L69 HydrophobicContact CE2-CD1 4.4Å; F35-L69 HydrophobicContact CZ-CD1 3.9Å
36R97.6Very high98Very high161 Ų16143.7 Ų43.761%0.60822%0.217SC*.Hα-helixtrans-74.8-34.5169.9-70.7175.5-168.7120.77.5111.2M32 E33 L34M32-R36 WeakPolarHBondContact O-CG 3.47Å; M32-R36 PolarHBondContact O-N 2.82Å; E33-R36 WeakPolarHBondContact O-CA 3.24Å; E33-R36 WeakPolarHBondContact O-CB 3.06Å; E33-R36 PolarHBondContact O-N 2.87Å; E33-R36 WeakPolarHBondContact OE2-CD 3.27Å; E33-R36 IonicContact OE2-CZ 3.85Å; E33-R36 IonicContact OE2-NE 2.67Å; E33-R36 IonicContact OE2-NH1 3.68Å; E33-R36 PolarHBondContact OE2-NH1 3.46Å; L34-R36 VanDerWaalsContact C-N 3.31Å; L34-R36 PolarHBondContact O-N 2.84Å
37I97.4Very high98Very high53 Ų5343.7 Ų43.727%0.27222%0.217SC..Hα-helixtrans-81.6-56.2-177.1-63.9154.4000111.1E33 L34 G39 I241 L253 F255E33-I37 HydrophobicContact CG-CD1 3.89Å; E33-I37 WeakPolarHBondContact O-CD1 3.37Å; E33-I37 WeakPolarHBondContact O-CG1 3.5Å; E33-I37 PolarHBondContact O-N 2.86Å; L34-I37 PolarHBondContact O-N 2.9Å; I37-G39 VanDerWaalsContact C-N 3.32Å; I37-G39 PolarHBondContact O-N 2.83Å; I37-I241 HydrophobicContact CG2-CD1 4.11Å; I37-L253 HydrophobicContact CG2-CB 3.85Å; I37-L253 HydrophobicContact CG2-CD1 3.76Å; I37-L253 HydrophobicContact CG2-CG 4.44Å; I37-F255 HydrophobicContact CD1-CB 3.19Å; I37-F255 HydrophobicContact CD1-CD1 3.73Å; I37-F255 HydrophobicContact CD1-CD2 3.82Å; I37-F255 HydrophobicContact CD1-CG 3.31Å
38G97.6Very high98Very high5 Ų543.5 Ų43.55%0.05222%0.216CC..SBendtrans-82.4-6.9-178.400000114.5L34 T44 Y46L34-G38 PolarHBondContact O-N 2.94Å; G38-T44 WeakPolarHBondContact O-CB 3.23Å; G38-T44 VanDerWaalsContact O-CG2 3.3Å; G38-T44 WeakPolarHBondContact O-CG2 3.17Å; G38-T44 PolarHBondContact O-OG1 3.31Å; G38-Y46 WeakPolarHBondContact CA-OH 3.31Å; G38-Y46 PolarHBondContact O-OH 3.49Å
39G98.1Very high98.1Very high24 Ų2441.2 Ų41.225%0.24721%0.206CC..  trans94.4168.3-17700000114F35 I37 Y46F35-G39 CarbonylContact O-C 3.5Å; F35-G39 VanDerWaalsContact O-CA 3.32Å; F35-G39 WeakPolarHBondContact O-CA 3.41Å; F35-G39 PolarHBondContact O-N 2.86Å; F35-G39 VanDerWaalsContact O-O 3.06Å; I37-G39 VanDerWaalsContact C-N 3.32Å; I37-G39 PolarHBondContact O-N 2.83Å; G39-Y46 PolarHBondContact O-OH 2.9Å
40K96.9Very high98.1Very high151 Ų15137.1 Ų37.166%0.65719%0.187SC*.  trans-88.2142.9-174.4-66.5177.7-177.6173.40110.7D43 T44K40-D43 WeakPolarHBondContact O-CA 2.83Å; K40-D43 WeakPolarHBondContact O-CB 3.45Å; K40-D43 PolarHBondContact O-N 2.63Å; K40-T44 PolarHBondContact O-N 3.48Å
41S95.4Very high98.2Very high21 Ų2136.7 Ų36.715%0.14719%0.185CC..THydrogen-bonded Turntrans-70.4136162-1730000109.8
42P97.8Very high98.2Very high32 Ų3236.8 Ų36.821%0.20819%0.185CC..THydrogen-bonded Turncis-96.910.510.139.6-37.2000115.3Y73 R76P42-Y73 HydrophobicContact CB-CD1 3.77Å; P42-Y73 HydrophobicContact CB-CD2 4.03Å; P42-Y73 HydrophobicContact CB-CE1 3.89Å; P42-Y73 HydrophobicContact CB-CE2 4.14Å; P42-Y73 HydrophobicContact CB-CG 3.85Å; P42-Y73 HydrophobicContact CG-CD1 4.11Å; P42-Y73 HydrophobicContact CG-CE1 3.69Å; P42-Y73 HydrophobicContact CG-CE2 4.14Å; P42-R76 HydrophobicContact CB-CB 4.39Å; P42-R76 HydrophobicContact CB-CG 3.98Å; P42-R76 PolarHBondContact O-NH1 3.22Å
43D98Very high98.2Very high136 Ų13634.4 Ų34.473%0.72717%0.173SC*.THydrogen-bonded Turntrans-66.5-42.5-178.1-57.1-37.5000110.6K40K40-D43 WeakPolarHBondContact O-CA 2.83Å; K40-D43 WeakPolarHBondContact O-CB 3.45Å; K40-D43 PolarHBondContact O-N 2.63Å
44T98.5Very high98.2Very high34 Ų3432.3 Ų32.321%0.20916%0.163CC..SBendtrans-99.3136.6169.8-53.10000110.8T19 G38 K40 Y46T19-T44 VanDerWaalsContact OG1-CG2 3.24Å; T19-T44 WeakPolarHBondContact OG1-CG2 3.47Å; G38-T44 WeakPolarHBondContact O-CB 3.23Å; G38-T44 VanDerWaalsContact O-CG2 3.3Å; G38-T44 WeakPolarHBondContact O-CG2 3.17Å; G38-T44 PolarHBondContact O-OG1 3.31Å; K40-T44 PolarHBondContact O-N 3.48Å; T44-Y46 HydrophobicContact CG2-CD2 4.37Å; T44-Y46 HydrophobicContact CG2-CE2 3.89Å; T44-Y46 WeakPolarHBondContact O-CD2 3.47Å
45N98.8Very high98.1Very high33 Ų3334 Ų3418%0.17617%0.17CC..  trans-83141.4171.7-57.4-39.5000110.3P17 V18 T19 R76P17-N45 WeakPolarHBondContact O-CB 3.44Å; P17-N45 PolarHBondContact O-ND2 2.91Å; V18-N45 HydrophobicContact CB-CB 4.38Å; V18-N45 HydrophobicContact CG2-CB 4.26Å; T19-N45 PolarHBondContact N-O 3.13Å; N45-R76 CarbonylContact C-O 3.56Å; N45-R76 VanDerWaalsContact CA-O 3.27Å; N45-R76 WeakPolarHBondContact CA-O 3.11Å; N45-R76 WeakPolarHBondContact OD1-CD 3.45Å; N45-R76 PolarHBondContact OD1-NH1 2.86Å
46Y98.9Very high97.8Very high1 Ų133.2 Ų33.20%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-125.7144.8-175.7-81.6-80.3000113.4T19 L34 F35 G38 G39 T44 F48 R76 I77 T78T19-Y46 HydrophobicContact CG2-CD1 4.1Å; T19-Y46 HydrophobicContact CG2-CE1 3.66Å; T19-Y46 WeakPolarHBondContact O-CA 3.24Å; L34-Y46 HydrophobicContact CD2-CD1 4.5Å; L34-Y46 HydrophobicContact CD2-CE1 3.68Å; F35-Y46 HydrophobicContact CD1-CE1 4.45Å; F35-Y46 AromaticContact CD1-CE2 3.82Å; F35-Y46 HydrophobicContact CD1-CE2 3.82Å; F35-Y46 AromaticContact CD1-CZ 3.76Å; F35-Y46 HydrophobicContact CE1-CD2 4.13Å; F35-Y46 HydrophobicContact CE1-CE1 4.37Å; F35-Y46 AromaticContact CE1-CE2 3.83Å; F35-Y46 HydrophobicContact CE1-CE2 3.83Å; F35-Y46 AromaticContact CE1-CZ 3.96Å; G38-Y46 WeakPolarHBondContact CA-OH 3.31Å; G38-Y46 PolarHBondContact O-OH 3.49Å; G39-Y46 PolarHBondContact O-OH 2.9Å; T44-Y46 HydrophobicContact CG2-CD2 4.37Å; T44-Y46 HydrophobicContact CG2-CE2 3.89Å; T44-Y46 WeakPolarHBondContact O-CD2 3.47Å; Y46-F48 AromaticContact CD1-CE2 3.85Å; Y46-F48 HydrophobicContact CD1-CE2 3.85Å; Y46-F48 HydrophobicContact CD1-CZ 4.1Å; Y46-F48 AromaticContact CG-CE2 3.91Å; Y46-F48 HydrophobicContact CG-CE2 3.91Å; Y46-R76 PolarHBondContact N-O 2.93Å; Y46-I77 CarbonylContact O-C 3.58Å; Y46-I77 VanDerWaalsContact O-CA 3.25Å; Y46-I77 WeakPolarHBondContact O-CA 3.39Å; Y46-T78 PolarHBondContact O-N 3.41Å
47L98.9Very high97.7Very high0 Ų029 Ų290%015%0.152CC..EExtended strand (participates in β ladder)trans-128.2111166.8-171.7171.4000107.6V14 V18 T19 V20 C21 M49 T78 L80 A123 V125 C131V14-L47 HydrophobicContact CB-CD1 4.49Å; V14-L47 HydrophobicContact CG1-CD1 4.44Å; V14-L47 HydrophobicContact CG2-CD1 4.18Å; V18-L47 HydrophobicContact CG2-CB 3.89Å; T19-L47 PolarHBondContact O-N 3.38Å; V20-L47 CarbonylContact C-O 3.07Å; V20-L47 VanDerWaalsContact CA-O 3.32Å; V20-L47 WeakPolarHBondContact CA-O 3.42Å; V20-L47 HydrophobicContact CG1-CD2 4.36Å; V20-L47 HydrophobicContact CG2-CB 4.38Å; C21-L47 PolarHBondContact N-O 3.3Å; L47-M49 HydrophobicContact CD2-CG 3.77Å; L47-T78 WeakPolarHBondContact CA-O 3.43Å; L47-T78 HydrophobicContact CG-CG2 4.31Å; L47-L80 HydrophobicContact CD2-CD1 3.95Å; L47-L80 HydrophobicContact CD2-CG 4.22Å; L47-A123 HydrophobicContact CD1-CB 3.79Å; L47-A123 HydrophobicContact CG-CB 4.44Å; L47-V125 HydrophobicContact CD1-CG2 3.73Å; L47-C131 HydrophobicContact CD1-CB 3.98Å; L47-C131 HydrophobicContact CD2-CB 4.06Å
48F98.9Very high97.8Very high0 Ų029.8 Ų29.80%015%0.152CC..EExtended strand (participates in β ladder)trans-98.5134.2172.9-68.2-101.4000110.7C21 V24 L31 L34 F35 Y46 Y52 L66 I77 T78 I79 L80C21-F48 HydrophobicContact CB-CD1 3.46Å; C21-F48 VanDerWaalsContact CB-CD1 3.46Å; C21-F48 HydrophobicContact CB-CE1 3.6Å; C21-F48 HydrophobicContact CB-CG 4Å; C21-F48 HydrophobicContact CB-CZ 4.27Å; V24-F48 HydrophobicContact CG2-CD1 4.19Å; V24-F48 HydrophobicContact CG2-CE1 4.2Å; L31-F48 HydrophobicContact CD1-CE1 3.84Å; L31-F48 HydrophobicContact CD1-CZ 3.97Å; L34-F48 HydrophobicContact CD1-CE1 4.23Å; L34-F48 HydrophobicContact CD2-CZ 4.2Å; F35-F48 HydrophobicContact CE1-CZ 4.14Å; F35-F48 HydrophobicContact CZ-CZ 4.11Å; Y46-F48 AromaticContact CD1-CE2 3.85Å; Y46-F48 HydrophobicContact CD1-CE2 3.85Å; Y46-F48 HydrophobicContact CD1-CZ 4.1Å; Y46-F48 AromaticContact CG-CE2 3.91Å; Y46-F48 HydrophobicContact CG-CE2 3.91Å; F48-Y52 HydrophobicContact CB-CE1 3.61Å; F48-Y52 HydrophobicContact CD1-CE1 4.49Å; F48-Y52 HydrophobicContact CG-CE1 4.29Å; F48-Y52 PolarHBondContact O-OH 3.43Å; F48-L66 HydrophobicContact CD1-CD2 4.49Å; F48-L66 HydrophobicContact CD2-CD2 4.11Å; F48-L66 HydrophobicContact CE1-CD2 4.16Å; F48-L66 HydrophobicContact CE2-CD2 3.73Å; F48-L66 HydrophobicContact CG-CD2 4.48Å; F48-L66 HydrophobicContact CZ-CD2 3.78Å; F48-I77 HydrophobicContact CD2-CD1 3.99Å; F48-I77 HydrophobicContact CD2-CG1 4.21Å; F48-I77 HydrophobicContact CE2-CD1 3.85Å; F48-I77 HydrophobicContact CE2-CG1 4.39Å; F48-T78 PolarHBondContact N-O 3.11Å; F48-I79 HydrophobicContact CB-CG2 4.42Å; F48-L80 WeakPolarHBondContact O-CB 3.41Å; F48-L80 PolarHBondContact O-N 2.95Å
49M98.9Very high97.8Very high0 Ų029.6 Ų29.60%015%0.15CC..  trans-88.2-5.6-171.9-66.6-173.2-69.100114.7V20 C21 L47 L80 C131 H133 S204 R205 A206 I225V20-M49 HydrophobicContact CG1-CE 3.76Å; V20-M49 HydrophobicContact CG1-CG 4.11Å; V20-M49 HydrophobicContact CG1-SD 3.77Å; C21-M49 WeakPolarHBondContact O-CG 3.22Å; C21-M49 PolarHBondContact O-N 2.96Å; L47-M49 HydrophobicContact CD2-CG 3.77Å; M49-L80 HydrophobicContact CG-CD1 4.47Å; M49-C131 HydrophobicContact SD-CB 4.41Å; M49-H133 WeakPolarHBondContact O-CA 3.17Å; M49-H133 WeakPolarHBondContact O-CB 3.5Å; M49-H133 PolarHBondContact O-ND1 3.25Å; M49-S204 VanDerWaalsContact SD-O 3.39Å; M49-R205 WeakPolarHBondContact CE-O 3.39Å; M49-A206 HydrophobicContact CB-CB 3.91Å; M49-A206 HydrophobicContact CE-CB 3.94Å; M49-I225 HydrophobicContact CE-CB 3.84Å; M49-I225 HydrophobicContact CE-CD1 3.99Å; M49-I225 HydrophobicContact CE-CG1 4.33Å
50G98.8Very high97.8Very high0 Ų028.5 Ų28.50%014%0.138CC..SBendtrans132.1-170.3176.700000113
51D98.9Very high97.9Very high1 Ų124.3 Ų24.31%0.00512%0.121CC..  trans53.859.8175.1-74.98.1000112.4D23 V24 H25 G82 N83 H84 E85 H133D23-D51 HydrophobicContact CB-CB 4.06Å; V24-D51 PolarHBondContact N-O 2.91Å; H25-D51 IonicContact CE1-OD2 3.54Å; H25-D51 PolarHBondContact N-O 3Å; H25-D51 IonicContact NE2-OD2 3.96Å; D51-G82 VanDerWaalsContact OD1-CA 3.32Å; D51-G82 WeakPolarHBondContact OD1-CA 3.48Å; D51-N83 PolarHBondContact OD1-N 3.14Å; D51-N83 PolarHBondContact OD1-OD1 3.24Å; D51-N83 PolarHBondContact OD2-OD1 2.84Å; D51-H84 HydrophobicContact CB-CB 4.45Å; D51-H84 WeakPolarHBondContact OD1-CB 3.41Å; D51-H84 IonicContact OD1-CD2 3.23Å; D51-H84 IonicContact OD1-CG 3.87Å; D51-H84 PolarHBondContact OD1-N 3.01Å; D51-H84 IonicContact OD2-CD2 3.68Å; D51-H84 PolarHBondContact OD2-CD2 2.82Å; D51-H84 VanDerWaalsContact OD2-CD2 3.26Å; D51-E85 PolarHBondContact N-OE2 3.48Å; D51-H133 IonicContact OD1-CD2 3.54Å; D51-H133 IonicContact OD1-CE1 2.7Å; D51-H133 IonicContact OD1-NE2 2.83Å; D51-H133 PolarHBondContact OD1-NE2 2.84Å; D51-H133 VanDerWaalsContact OD1-NE2 3.15Å; D51-H133 IonicContact OD2-CE1 3.73Å; D51-H133 PolarHBondContact OD2-CE1 3.09Å; D51-H133 IonicContact OD2-NE2 2.86Å; D51-H133 PolarHBondContact OD2-NE2 2.67Å
52Y98.9Very high98.1Very high3 Ų323.3 Ų23.31%0.01211%0.114CC..  trans-81-30.5177.3-47.4-58.8000112.2G26 F48 T62 V63 L66 I79 L80 E85 L119G26-Y52 PolarHBondContact N-O 2.95Å; F48-Y52 HydrophobicContact CB-CE1 3.61Å; F48-Y52 HydrophobicContact CD1-CE1 4.49Å; F48-Y52 HydrophobicContact CG-CE1 4.29Å; F48-Y52 PolarHBondContact O-OH 3.43Å; Y52-T62 WeakPolarHBondContact O-CG2 3.43Å; Y52-V63 HydrophobicContact CD2-CG2 4.5Å; Y52-L66 HydrophobicContact CD1-CD1 3.23Å; Y52-L66 HydrophobicContact CE1-CD1 3.7Å; Y52-L66 HydrophobicContact CG-CD1 3.92Å; Y52-I79 HydrophobicContact CE2-CB 4.47Å; Y52-I79 VanDerWaalsContact OH-C 3.28Å; Y52-I79 VanDerWaalsContact OH-CA 3.28Å; Y52-I79 WeakPolarHBondContact OH-CA 3.37Å; Y52-I79 WeakPolarHBondContact OH-CB 3.24Å; Y52-L80 VanDerWaalsContact CE2-O 3.26Å; Y52-L80 WeakPolarHBondContact CE2-O 3.45Å; Y52-L80 VanDerWaalsContact CZ-O 3.29Å; Y52-L80 PolarHBondContact OH-N 2.99Å; Y52-L80 PolarHBondContact OH-O 3.21Å; Y52-E85 VanDerWaalsContact CD2-CD 3.45Å; Y52-E85 HydrophobicContact CD2-CG 3.87Å; Y52-E85 VanDerWaalsContact CD2-OE1 3.23Å; Y52-E85 WeakPolarHBondContact CD2-OE1 3.32Å; Y52-E85 HydrophobicContact CE2-CG 4.26Å; Y52-E85 PolarHBondContact N-OE1 3.36Å; Y52-L119 HydrophobicContact CE2-CD1 4.32Å
53V98.8Very high98.1Very high0 Ų021.9 Ų21.90%011%0.105CC..SBendtrans-111.5178.4-170.8-58.10000111.9H25 V63 H84 E85 T90 F95 F116H25-V53 PolarHBondContact ND1-O 3.22Å; V53-V63 HydrophobicContact CG1-CB 3.82Å; V53-V63 HydrophobicContact CG1-CG1 4.01Å; V53-V63 HydrophobicContact CG1-CG2 4.19Å; V53-H84 HydrophobicContact CG2-CB 4.33Å; V53-E85 PolarHBondContact N-OE1 3.09Å; V53-T90 HydrophobicContact CG2-CG2 3.8Å; V53-F95 HydrophobicContact CB-CB 4.06Å; V53-F95 HydrophobicContact CB-CD1 4.24Å; V53-F95 HydrophobicContact CB-CD2 3.94Å; V53-F95 HydrophobicContact CB-CE2 4.39Å; V53-F95 HydrophobicContact CB-CG 3.83Å; V53-F95 HydrophobicContact CG1-CD1 4.26Å; V53-F95 HydrophobicContact CG1-CD2 3.9Å; V53-F95 HydrophobicContact CG1-CE1 4.22Å; V53-F95 HydrophobicContact CG1-CE2 3.82Å; V53-F95 HydrophobicContact CG1-CG 4.09Å; V53-F95 HydrophobicContact CG1-CZ 3.98Å; V53-F95 HydrophobicContact CG2-CB 4.3Å; V53-F95 HydrophobicContact CG2-CD1 4.25Å; V53-F95 HydrophobicContact CG2-CG 4.21Å; V53-F116 HydrophobicContact CG1-CZ 4.08Å; V53-F116 HydrophobicContact CG2-CE2 4.45Å; V53-F116 HydrophobicContact CG2-CZ 4.49Å
54D98.4Very high98.2Very high0 Ų018.3 Ų18.30%09%0.088CC..SBendtrans65.9164.7-177.7-69-35.3000114.6H25 G56 S59 H84 T90 Y93 G94 F95H25-D54 CarbonylContact C-O 3.54Å; H25-D54 WeakPolarHBondContact CA-O 3.49Å; H25-D54 WeakPolarHBondContact CB-O 3.21Å; H25-D54 VanDerWaalsContact O-O 3.08Å; D54-G56 PolarHBondContact O-N 3.16Å; D54-S59 PolarHBondContact N-OG 2.93Å; D54-H84 VanDerWaalsContact CB-ND1 3.29Å; D54-H84 WeakPolarHBondContact CB-ND1 3.42Å; D54-H84 IonicContact OD2-CE1 2.77Å; D54-H84 IonicContact OD2-CG 3.28Å; D54-H84 IonicContact OD2-ND1 3.97Å; D54-H84 PolarHBondContact OD2-ND1 3.23Å; D54-T90 WeakPolarHBondContact OD1-CA 3.4Å; D54-T90 WeakPolarHBondContact OD2-CA 3.44Å; D54-Y93 WeakPolarHBondContact CB-O 3.45Å; D54-G94 PolarHBondContact OD1-N 3.43Å; D54-F95 WeakPolarHBondContact OD1-CB 3.11Å; D54-F95 PolarHBondContact OD1-N 2.87Å
55R95.1Very high98.2Very high38 Ų3819.1 Ų19.114%0.1439%0.091CC..SBendtrans62.6-71.6-174.5-47-69.8-169.1151.12.5112H25 Y93 Y231 Y273 F274 L275H25-R55 HydrophobicContact CB-CB 4.39Å; R55-Y93 PolarHBondContact N-O 3.05Å; R55-Y231 HydrophobicContact CB-CE2 4.42Å; R55-Y231 HydrophobicContact CG-CE2 4.32Å; R55-Y231 WeakPolarHBondContact CG-OH 3.43Å; R55-Y273 WeakPolarHBondContact CD-O 3.33Å; R55-Y273 PolarHBondContact NH1-O 3.31Å; R55-F274 HydrophobicContact CB-CD1 4.34Å; R55-F274 HydrophobicContact CB-CE1 4.23Å; R55-F274 WeakPolarHBondContact O-CE1 3.21Å; R55-F274 WeakPolarHBondContact O-CZ 3.43Å; R55-L275 PolarHBondContact NH1-O 3Å
56G94Very high98.2Very high5 Ų517.6 Ų17.65%0.0528%0.083CC..SBendtrans-60.6162.9-177.400000114.2H25 D54 Y58 S59H25-G56 WeakPolarHBondContact O-CA 3.25Å; H25-G56 PolarHBondContact O-N 3.28Å; D54-G56 PolarHBondContact O-N 3.16Å; G56-Y58 VanDerWaalsContact C-N 3.33Å; G56-Y58 PolarHBondContact O-N 2.97Å; G56-S59 PolarHBondContact O-OG 3.39Å
57Y95Very high98.2Very high71 Ų7118.5 Ų18.528%0.2789%0.088SC..THydrogen-bonded Turntrans-83.6-9.5-173.2-64.9-58000114.5K102 Y233 P271 F274Y57-K102 PolarHBondContact O-NZ 3.47Å; Y57-Y233 AromaticContact CD2-CE2 3.56Å; Y57-Y233 HydrophobicContact CD2-CE2 3.56Å; Y57-Y233 AromaticContact CD2-CZ 3.74Å; Y57-Y233 VanDerWaalsContact CD2-OH 3.27Å; Y57-Y233 WeakPolarHBondContact CD2-OH 3.49Å; Y57-Y233 HydrophobicContact CE2-CD2 4.02Å; Y57-Y233 AromaticContact CE2-CE2 3.31Å; Y57-Y233 HydrophobicContact CE2-CE2 3.31Å; Y57-Y233 AromaticContact CE2-CZ 3.93Å; Y57-Y233 HydrophobicContact CG-CE2 4.48Å; Y57-Y233 PolarHBondContact N-OH 2.76Å; Y57-P271 HydrophobicContact CE1-CG 4.49Å; Y57-F274 HydrophobicContact CD1-CZ 4.34Å; Y57-F274 AromaticContact CE1-CE2 3.77Å; Y57-F274 HydrophobicContact CE1-CE2 3.77Å; Y57-F274 AromaticContact CE1-CZ 3.79Å; Y57-F274 HydrophobicContact CE1-CZ 3.79Å; Y57-F274 HydrophobicContact CE2-CZ 4.29Å; Y57-F274 AromaticContact CZ-CE2 3.67Å; Y57-F274 AromaticContact CZ-CZ 3.77Å; Y57-F274 WeakPolarHBondContact OH-CE2 3.39Å
58Y98.1Very high98.2Very high71 Ų7121 Ų2128%0.27811%0.109SC..THydrogen-bonded Turntrans-129.739.5-169.4-55.1-79.6000111.5G26 F28 H29 G56 V60 E61 T62G26-Y58 CarbonylContact O-C 3.54Å; G26-Y58 WeakPolarHBondContact O-CA 3.31Å; G26-Y58 WeakPolarHBondContact O-CB 3.24Å; G26-Y58 PolarHBondContact O-N 3Å; G26-Y58 VanDerWaalsContact O-N 3.14Å; F28-Y58 VanDerWaalsContact CB-CB 3.48Å; F28-Y58 HydrophobicContact CB-CG 4.19Å; H29-Y58 AromaticContact NE2-CE2 3.88Å; G56-Y58 VanDerWaalsContact C-N 3.33Å; G56-Y58 PolarHBondContact O-N 2.97Å; Y58-V60 VanDerWaalsContact C-N 3.29Å; Y58-V60 PolarHBondContact O-N 3.02Å; Y58-E61 WeakPolarHBondContact CA-OE2 3.36Å; Y58-E61 WeakPolarHBondContact CB-OE2 3.46Å; Y58-E61 PolarHBondContact O-N 3.27Å; Y58-T62 VanDerWaalsContact O-CB 3.31Å; Y58-T62 WeakPolarHBondContact O-CB 3.32Å; Y58-T62 PolarHBondContact O-N 3.19Å; Y58-T62 PolarHBondContact O-OG1 2.81Å
59S98.8Very high98.2Very high0 Ų022.1 Ų22.10%012%0.115CC..Hα-helixtrans-61.1-39.8176.7-59.30000111.3D54 G56 T62 V63 F95 E98D54-S59 PolarHBondContact N-OG 2.93Å; G56-S59 PolarHBondContact O-OG 3.39Å; S59-T62 PolarHBondContact O-N 2.86Å; S59-V63 VanDerWaalsContact O-CG1 3.29Å; S59-V63 WeakPolarHBondContact O-CG1 3.46Å; S59-V63 PolarHBondContact O-N 2.89Å; S59-F95 VanDerWaalsContact CB-CD2 3.49Å; S59-E98 WeakPolarHBondContact CB-OE2 3.26Å; S59-E98 PolarHBondContact N-OE1 2.87Å; S59-E98 VanDerWaalsContact N-OE1 3.09Å; S59-E98 PolarHBondContact N-OE2 3.32Å; S59-E98 PolarHBondContact OG-OE2 2.98Å
60V98.8Very high98.2Very high2 Ų222.2 Ų22.21%0.01212%0.115CC..Hα-helixtrans-58.5-51.7177.1168.40000110.6Y58 T62 T64 F95 E98 K102 Y103Y58-V60 VanDerWaalsContact C-N 3.29Å; Y58-V60 PolarHBondContact O-N 3.02Å; V60-T62 VanDerWaalsContact C-N 3.34Å; V60-T62 PolarHBondContact O-N 2.82Å; V60-T64 WeakPolarHBondContact O-CB 3.49Å; V60-T64 PolarHBondContact O-N 2.89Å; V60-T64 PolarHBondContact O-OG1 3.21Å; V60-F95 HydrophobicContact CG2-CD2 4.5Å; V60-F95 HydrophobicContact CG2-CE2 3.93Å; V60-E98 VanDerWaalsContact CB-OE1 3.26Å; V60-E98 WeakPolarHBondContact CB-OE1 3.41Å; V60-E98 HydrophobicContact CG2-CG 4.07Å; V60-E98 VanDerWaalsContact CG2-OE1 3.3Å; V60-E98 WeakPolarHBondContact CG2-OE1 3.36Å; V60-E98 PolarHBondContact N-OE1 3.2Å; V60-K102 HydrophobicContact CB-CD 4.24Å; V60-K102 HydrophobicContact CG2-CD 4.22Å; V60-Y103 HydrophobicContact CG1-CE2 3.7Å; V60-Y103 WeakPolarHBondContact CG1-OH 3.41Å; V60-Y103 HydrophobicContact CG2-CE2 4.17Å
61E98.8Very high98.2Very high63 Ų6325.5 Ų25.529%0.29414%0.135SC..Hα-helixtrans-65.5-40.4-179.2-64.880.7177.700111.2F28 Y58 L65 K102F28-E61 HydrophobicContact CD2-CB 3.62Å; F28-E61 HydrophobicContact CE2-CB 3.87Å; F28-E61 HydrophobicContact CG-CB 4.02Å; F28-E61 HydrophobicContact CZ-CB 4.47Å; Y58-E61 WeakPolarHBondContact CA-OE2 3.36Å; Y58-E61 WeakPolarHBondContact CB-OE2 3.46Å; Y58-E61 PolarHBondContact O-N 3.27Å; E61-L65 WeakPolarHBondContact O-CB 3.28Å; E61-L65 PolarHBondContact O-N 3.08Å; E61-K102 IonicContact OE1-NZ 3.61Å; E61-K102 PolarHBondContact OE1-NZ 3.45Å; E61-K102 IonicContact OE2-NZ 3.13Å; E61-K102 PolarHBondContact OE2-NZ 2.86Å
62T98.9Very high98.2Very high0 Ų032.9 Ų32.90%016%0.163CC..Hα-helixtrans-59.8-58.4179-59.80000111.1V24 L31 Y52 Y58 S59 V60 T64 L65 L66V24-T62 HydrophobicContact CB-CG2 4.31Å; V24-T62 HydrophobicContact CG1-CG2 3.64Å; L31-T62 HydrophobicContact CD2-CG2 3.96Å; Y52-T62 WeakPolarHBondContact O-CG2 3.43Å; Y58-T62 VanDerWaalsContact O-CB 3.31Å; Y58-T62 WeakPolarHBondContact O-CB 3.32Å; Y58-T62 PolarHBondContact O-N 3.19Å; Y58-T62 PolarHBondContact O-OG1 2.81Å; S59-T62 PolarHBondContact O-N 2.86Å; V60-T62 VanDerWaalsContact C-N 3.34Å; V60-T62 PolarHBondContact O-N 2.82Å; T62-T64 VanDerWaalsContact C-N 3.35Å; T62-T64 PolarHBondContact O-N 3.14Å; T62-L65 PolarHBondContact O-N 2.88Å; T62-L66 HydrophobicContact CG2-CD1 4.38Å; T62-L66 WeakPolarHBondContact O-CG 3.3Å; T62-L66 PolarHBondContact O-N 2.86Å; T62-L66 VanDerWaalsContact O-N 3.12Å
63V98.9Very high98.2Very high2 Ų235.6 Ų35.61%0.01217%0.173CC..Hα-helixtrans-69.3-34.3-177.775.60000112Y52 V53 S59 L65 L66 V67 F95 F112 F116Y52-V63 HydrophobicContact CD2-CG2 4.5Å; V53-V63 HydrophobicContact CG1-CB 3.82Å; V53-V63 HydrophobicContact CG1-CG1 4.01Å; V53-V63 HydrophobicContact CG1-CG2 4.19Å; S59-V63 VanDerWaalsContact O-CG1 3.29Å; S59-V63 WeakPolarHBondContact O-CG1 3.46Å; S59-V63 PolarHBondContact O-N 2.89Å; V63-L65 VanDerWaalsContact C-N 3.35Å; V63-L65 PolarHBondContact O-N 2.96Å; V63-L66 PolarHBondContact O-N 3.26Å; V63-V67 HydrophobicContact CG2-CG2 4.23Å; V63-V67 VanDerWaalsContact O-CB 3.31Å; V63-V67 WeakPolarHBondContact O-CB 3.48Å; V63-V67 VanDerWaalsContact O-CG2 3.23Å; V63-V67 WeakPolarHBondContact O-CG2 3.5Å; V63-V67 PolarHBondContact O-N 2.89Å; V63-F95 HydrophobicContact CG1-CE2 4.2Å; V63-F95 HydrophobicContact CG1-CZ 4.08Å; V63-F112 HydrophobicContact CG1-CD1 3.93Å; V63-F112 HydrophobicContact CG1-CD2 4.43Å; V63-F112 HydrophobicContact CG1-CE1 3.65Å; V63-F112 HydrophobicContact CG1-CE2 4.15Å; V63-F112 HydrophobicContact CG1-CG 4.33Å; V63-F112 HydrophobicContact CG1-CZ 3.78Å; V63-F112 HydrophobicContact CG2-CD1 4.33Å; V63-F112 HydrophobicContact CG2-CE1 4.38Å; V63-F116 HydrophobicContact CG2-CE1 3.82Å; V63-F116 HydrophobicContact CG2-CZ 4.2Å
64T98.9Very high98.1Very high61 Ų6137.6 Ų37.637%0.37419%0.186SC..Hα-helixtrans-61.4-44.8175-60.50000110.9V60 T62 A68 F112V60-T64 WeakPolarHBondContact O-CB 3.49Å; V60-T64 PolarHBondContact O-N 2.89Å; V60-T64 PolarHBondContact O-OG1 3.21Å; T62-T64 VanDerWaalsContact C-N 3.35Å; T62-T64 PolarHBondContact O-N 3.14Å; T64-A68 WeakPolarHBondContact O-CB 3.32Å; T64-A68 PolarHBondContact O-N 2.95Å; T64-F112 WeakPolarHBondContact OG1-CZ 3.2Å
65L98.9Very high98.1Very high50 Ų5045.8 Ų45.826%0.26223%0.225SC..Hα-helixtrans-64.1-48.9179.1176.861.7000111.6F28 L31 M32 F35 E61 T62 V63 V67 A68 L69F28-L65 HydrophobicContact CE2-CB 4.37Å; F28-L65 HydrophobicContact CE2-CD2 3.93Å; F28-L65 HydrophobicContact CZ-CD2 4.49Å; L31-L65 HydrophobicContact CD2-CD2 4.23Å; M32-L65 HydrophobicContact CE-CD2 3.24Å; F35-L65 HydrophobicContact CE2-CD2 4.03Å; E61-L65 WeakPolarHBondContact O-CB 3.28Å; E61-L65 PolarHBondContact O-N 3.08Å; T62-L65 PolarHBondContact O-N 2.88Å; V63-L65 VanDerWaalsContact C-N 3.35Å; V63-L65 PolarHBondContact O-N 2.96Å; L65-V67 VanDerWaalsContact C-N 3.34Å; L65-V67 PolarHBondContact O-N 2.75Å; L65-A68 PolarHBondContact O-N 3.4Å; L65-L69 HydrophobicContact CD1-CD1 4.22Å; L65-L69 HydrophobicContact CD1-CG 4.17Å; L65-L69 HydrophobicContact CG-CD1 4.16Å; L65-L69 WeakPolarHBondContact O-CG 3.44Å; L65-L69 PolarHBondContact O-N 3.33Å
66L98.9Very high98.3Very high1 Ų149.2 Ų49.21%0.00524%0.238CC..Hα-helixtrans-62.3-42.5-179.2-66.9175.7000111.6L31 F35 F48 Y52 T62 V63 L69 K70 I77 I79L31-L66 HydrophobicContact CD1-CD2 4.46Å; L31-L66 HydrophobicContact CD2-CD2 4.24Å; L31-L66 HydrophobicContact CD2-CG 4.25Å; F35-L66 HydrophobicContact CZ-CD2 4.27Å; F48-L66 HydrophobicContact CD1-CD2 4.49Å; F48-L66 HydrophobicContact CD2-CD2 4.11Å; F48-L66 HydrophobicContact CE1-CD2 4.16Å; F48-L66 HydrophobicContact CE2-CD2 3.73Å; F48-L66 HydrophobicContact CG-CD2 4.48Å; F48-L66 HydrophobicContact CZ-CD2 3.78Å; Y52-L66 HydrophobicContact CD1-CD1 3.23Å; Y52-L66 HydrophobicContact CE1-CD1 3.7Å; Y52-L66 HydrophobicContact CG-CD1 3.92Å; T62-L66 HydrophobicContact CG2-CD1 4.38Å; T62-L66 WeakPolarHBondContact O-CG 3.3Å; T62-L66 PolarHBondContact O-N 2.86Å; T62-L66 VanDerWaalsContact O-N 3.12Å; V63-L66 PolarHBondContact O-N 3.26Å; L66-L69 PolarHBondContact O-N 3.03Å; L66-K70 WeakPolarHBondContact O-CB 3.18Å; L66-K70 PolarHBondContact O-N 2.81Å; L66-I77 HydrophobicContact CD2-CD1 4.13Å; L66-I79 HydrophobicContact CB-CG2 4.35Å
67V98.9Very high98.5Very high20 Ų2049 Ų4912%0.12124%0.236CC..Hα-helixtrans-66.5-39.5174.8172.70000111.5A1 V63 L65 K70 V71 I79 L115A1-V67 HydrophobicContact CB-CG1 3.59Å; V63-V67 HydrophobicContact CG2-CG2 4.23Å; V63-V67 VanDerWaalsContact O-CB 3.31Å; V63-V67 WeakPolarHBondContact O-CB 3.48Å; V63-V67 VanDerWaalsContact O-CG2 3.23Å; V63-V67 WeakPolarHBondContact O-CG2 3.5Å; V63-V67 PolarHBondContact O-N 2.89Å; L65-V67 VanDerWaalsContact C-N 3.34Å; L65-V67 PolarHBondContact O-N 2.75Å; V67-K70 PolarHBondContact O-N 2.93Å; V67-V71 HydrophobicContact CG1-CG2 4.48Å; V67-V71 WeakPolarHBondContact O-CG2 3.23Å; V67-V71 PolarHBondContact O-N 2.88Å; V67-I79 HydrophobicContact CG2-CD1 4.2Å; V67-L115 HydrophobicContact CB-CD2 4.5Å; V67-L115 HydrophobicContact CG1-CD2 3.84Å; V67-L115 HydrophobicContact CG2-CD2 3.8Å
68A98.9Very high98.7Very high52 Ų5246.2 Ų46.243%0.4323%0.226SC..Hα-helixtrans-63.7-42176.200000111.6T64 L65 V71 R72T64-A68 WeakPolarHBondContact O-CB 3.32Å; T64-A68 PolarHBondContact O-N 2.95Å; L65-A68 PolarHBondContact O-N 3.4Å; A68-V71 PolarHBondContact O-N 2.88Å; A68-R72 VanDerWaalsContact O-CB 3.24Å; A68-R72 WeakPolarHBondContact O-CB 3.34Å; A68-R72 PolarHBondContact O-N 3.47Å
69L98.8Very high98.7Very high24 Ų2443 Ų4313%0.12621%0.213CC..Hα-helixtrans-61.9-43.4172.6-71.1173.4000111.1F35 L65 L66 V71 R72 Y73 I77F35-L69 HydrophobicContact CE2-CD1 4.4Å; F35-L69 HydrophobicContact CZ-CD1 3.9Å; L65-L69 HydrophobicContact CD1-CD1 4.22Å; L65-L69 HydrophobicContact CD1-CG 4.17Å; L65-L69 HydrophobicContact CG-CD1 4.16Å; L65-L69 WeakPolarHBondContact O-CG 3.44Å; L65-L69 PolarHBondContact O-N 3.33Å; L66-L69 PolarHBondContact O-N 3.03Å; L69-V71 VanDerWaalsContact C-N 3.33Å; L69-V71 PolarHBondContact O-N 3.31Å; L69-R72 PolarHBondContact O-N 3.07Å; L69-Y73 HydrophobicContact CD2-CD2 4.15Å; L69-Y73 HydrophobicContact CD2-CE2 4.21Å; L69-Y73 WeakPolarHBondContact O-CA 3.38Å; L69-Y73 PolarHBondContact O-N 3.4Å; L69-I77 HydrophobicContact CB-CD1 4.11Å; L69-I77 HydrophobicContact CB-CG2 4.24Å; L69-I77 HydrophobicContact CD1-CD1 4.39Å
70K98.8Very high98.7Very high2 Ų243 Ų431%0.00921%0.213CC..Hα-helixtrans-60.4-41.5175.2-178.262.4-180175.70112.7L5 E8 L66 V67 P74 I77 I79L5-K70 HydrophobicContact CD2-CG 4.31Å; E8-K70 WeakPolarHBondContact OE1-CE 3.48Å; E8-K70 IonicContact OE1-NZ 3.48Å; E8-K70 PolarHBondContact OE1-NZ 3.45Å; E8-K70 IonicContact OE2-NZ 3.49Å; E8-K70 PolarHBondContact OE2-NZ 2.91Å; L66-K70 WeakPolarHBondContact O-CB 3.18Å; L66-K70 PolarHBondContact O-N 2.81Å; V67-K70 PolarHBondContact O-N 2.93Å; K70-P74 PolarHBondContact NZ-O 3.04Å; K70-P74 WeakPolarHBondContact O-CA 3.28Å; K70-I77 VanDerWaalsContact CA-CG2 3.42Å; K70-I77 HydrophobicContact CB-CG2 4.03Å; K70-I77 HydrophobicContact CD-CG2 4.08Å; K70-I77 WeakPolarHBondContact CD-O 3.36Å; K70-I77 PolarHBondContact NZ-O 3.37Å; K70-I79 HydrophobicContact CB-CD1 3.87Å; K70-I79 HydrophobicContact CB-CG1 4.31Å; K70-I79 HydrophobicContact CD-CG1 4.33Å; K70-I79 HydrophobicContact CG-CD1 3.98Å; K70-I79 HydrophobicContact CG-CG1 4.11Å
71V98.8Very high98.7Very high70 Ų7042.9 Ų42.942%0.42421%0.213SC..Hα-helixtrans-68-40176.3171.60000111.4A1 I4 V67 A68 L69A1-V71 HydrophobicContact CB-CG2 3.77Å; I4-V71 HydrophobicContact CD1-CB 4.36Å; I4-V71 HydrophobicContact CD1-CG1 4.48Å; I4-V71 HydrophobicContact CD1-CG2 4.22Å; V67-V71 HydrophobicContact CG1-CG2 4.48Å; V67-V71 WeakPolarHBondContact O-CG2 3.23Å; V67-V71 PolarHBondContact O-N 2.88Å; A68-V71 PolarHBondContact O-N 2.88Å; L69-V71 VanDerWaalsContact C-N 3.33Å; L69-V71 PolarHBondContact O-N 3.31Å
72R98.8Very high98.7Very high156 Ų15639.9 Ų39.959%0.58920%0.199SC*.Hα-helixtrans-77.5-35-175.5178.959.6-172.587.3-0.7113.1A68 L69A68-R72 VanDerWaalsContact O-CB 3.24Å; A68-R72 WeakPolarHBondContact O-CB 3.34Å; A68-R72 PolarHBondContact O-N 3.47Å; L69-R72 PolarHBondContact O-N 3.07Å
73Y98.6Very high98.7Very high59 Ų5940 Ų4023%0.23120%0.199CC..  trans-136.464.3-174.4-51.2-65000110.8P42 L69 E75 R76 I77P42-Y73 HydrophobicContact CB-CD1 3.77Å; P42-Y73 HydrophobicContact CB-CD2 4.03Å; P42-Y73 HydrophobicContact CB-CE1 3.89Å; P42-Y73 HydrophobicContact CB-CE2 4.14Å; P42-Y73 HydrophobicContact CB-CG 3.85Å; P42-Y73 HydrophobicContact CG-CD1 4.11Å; P42-Y73 HydrophobicContact CG-CE1 3.69Å; P42-Y73 HydrophobicContact CG-CE2 4.14Å; L69-Y73 HydrophobicContact CD2-CD2 4.15Å; L69-Y73 HydrophobicContact CD2-CE2 4.21Å; L69-Y73 WeakPolarHBondContact O-CA 3.38Å; L69-Y73 PolarHBondContact O-N 3.4Å; Y73-E75 PolarHBondContact O-N 2.86Å; Y73-E75 VanDerWaalsContact O-N 3.1Å; Y73-R76 PolarHBondContact O-N 2.88Å; Y73-I77 PolarHBondContact O-N 3.49Å
74P98Very high98.7Very high42 Ų4240.5 Ų40.527%0.27320%0.202SC..THydrogen-bonded Turntrans-57.6-30.7-171.621.8-34000114.4I4 K70I4-P74 HydrophobicContact CG2-CB 3.97Å; K70-P74 PolarHBondContact NZ-O 3.04Å; K70-P74 WeakPolarHBondContact O-CA 3.28Å
75E97.5Very high98.7Very high173 Ų17337.6 Ų37.681%0.80818%0.184SC*.THydrogen-bonded Turntrans-87.6-4.4178.9-53-54.9135.800113.9Y73Y73-E75 PolarHBondContact O-N 2.86Å; Y73-E75 VanDerWaalsContact O-N 3.1Å
76R98.5Very high98.7Very high110 Ų11035.6 Ų35.642%0.41517%0.174SC..THydrogen-bonded Turntrans-109.2-12.9-174.8-58.9-67.9-166.5138.14.6113.1P42 N45 Y46 Y73P42-R76 HydrophobicContact CB-CB 4.39Å; P42-R76 HydrophobicContact CB-CG 3.98Å; P42-R76 PolarHBondContact O-NH1 3.22Å; N45-R76 CarbonylContact C-O 3.56Å; N45-R76 VanDerWaalsContact CA-O 3.27Å; N45-R76 WeakPolarHBondContact CA-O 3.11Å; N45-R76 WeakPolarHBondContact OD1-CD 3.45Å; N45-R76 PolarHBondContact OD1-NH1 2.86Å; Y46-R76 PolarHBondContact N-O 2.93Å; Y73-R76 PolarHBondContact O-N 2.88Å
77I98.8Very high98.7Very high1 Ų138 Ų381%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-142.1130.2179.4-172.4171.8000110.5Y46 F48 L66 L69 K70 Y73 I79Y46-I77 CarbonylContact O-C 3.58Å; Y46-I77 VanDerWaalsContact O-CA 3.25Å; Y46-I77 WeakPolarHBondContact O-CA 3.39Å; F48-I77 HydrophobicContact CD2-CD1 3.99Å; F48-I77 HydrophobicContact CD2-CG1 4.21Å; F48-I77 HydrophobicContact CE2-CD1 3.85Å; F48-I77 HydrophobicContact CE2-CG1 4.39Å; L66-I77 HydrophobicContact CD2-CD1 4.13Å; L69-I77 HydrophobicContact CB-CD1 4.11Å; L69-I77 HydrophobicContact CB-CG2 4.24Å; L69-I77 HydrophobicContact CD1-CD1 4.39Å; K70-I77 VanDerWaalsContact CA-CG2 3.42Å; K70-I77 HydrophobicContact CB-CG2 4.03Å; K70-I77 HydrophobicContact CD-CG2 4.08Å; K70-I77 WeakPolarHBondContact CD-O 3.36Å; K70-I77 PolarHBondContact NZ-O 3.37Å; Y73-I77 PolarHBondContact O-N 3.49Å; I77-I79 HydrophobicContact CD1-CG2 4.27Å; I77-I79 HydrophobicContact CG1-CG2 4.21Å
78T98.9Very high98.6Very high12 Ų1241 Ų417%0.07420%0.196CC..EExtended strand (participates in β ladder)trans-109.2132.7170-61.90000108.1Q12 V14 Y46 L47 F48 L80Q12-T78 HydrophobicContact CG-CG2 4.09Å; V14-T78 HydrophobicContact CG2-CG2 4.24Å; V14-T78 WeakPolarHBondContact CG2-OG1 3.26Å; Y46-T78 PolarHBondContact O-N 3.41Å; L47-T78 WeakPolarHBondContact CA-O 3.43Å; L47-T78 HydrophobicContact CG-CG2 4.31Å; F48-T78 PolarHBondContact N-O 3.11Å; T78-L80 HydrophobicContact CG2-CD2 3.85Å; T78-L80 HydrophobicContact CG2-CG 4.47Å
79I98.9Very high98.6Very high3 Ų339.8 Ų39.82%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-124.5106.1178.247.8171.8000108.1L5 F48 Y52 L66 V67 K70 I77 L119L5-I79 HydrophobicContact CD2-CG1 4.42Å; F48-I79 HydrophobicContact CB-CG2 4.42Å; Y52-I79 HydrophobicContact CE2-CB 4.47Å; Y52-I79 VanDerWaalsContact OH-C 3.28Å; Y52-I79 VanDerWaalsContact OH-CA 3.28Å; Y52-I79 WeakPolarHBondContact OH-CA 3.37Å; Y52-I79 WeakPolarHBondContact OH-CB 3.24Å; L66-I79 HydrophobicContact CB-CG2 4.35Å; V67-I79 HydrophobicContact CG2-CD1 4.2Å; K70-I79 HydrophobicContact CB-CD1 3.87Å; K70-I79 HydrophobicContact CB-CG1 4.31Å; K70-I79 HydrophobicContact CD-CG1 4.33Å; K70-I79 HydrophobicContact CG-CD1 3.98Å; K70-I79 HydrophobicContact CG-CG1 4.11Å; I77-I79 HydrophobicContact CD1-CG2 4.27Å; I77-I79 HydrophobicContact CG1-CG2 4.21Å; I79-L119 HydrophobicContact CB-CD2 4.36Å; I79-L119 HydrophobicContact CD1-CD2 3.77Å; I79-L119 HydrophobicContact CG1-CD2 3.82Å; I79-L119 WeakPolarHBondContact O-CD2 3.46Å
80L98.9Very high98.6Very high0 Ų038.7 Ų38.70%018%0.175CC..  trans-80.4165177.6-56.5-173.8000111L47 F48 M49 Y52 T78 P120 A123 C131L47-L80 HydrophobicContact CD2-CD1 3.95Å; L47-L80 HydrophobicContact CD2-CG 4.22Å; F48-L80 WeakPolarHBondContact O-CB 3.41Å; F48-L80 PolarHBondContact O-N 2.95Å; M49-L80 HydrophobicContact CG-CD1 4.47Å; Y52-L80 VanDerWaalsContact CE2-O 3.26Å; Y52-L80 WeakPolarHBondContact CE2-O 3.45Å; Y52-L80 VanDerWaalsContact CZ-O 3.29Å; Y52-L80 PolarHBondContact OH-N 2.99Å; Y52-L80 PolarHBondContact OH-O 3.21Å; T78-L80 HydrophobicContact CG2-CD2 3.85Å; T78-L80 HydrophobicContact CG2-CG 4.47Å; L80-P120 CarbonylContact C-O 3.58Å; L80-P120 WeakPolarHBondContact CA-O 3.07Å; L80-P120 HydrophobicContact CD2-CB 3.9Å; L80-A123 HydrophobicContact CD1-CB 4.19Å; L80-A123 HydrophobicContact CD2-CB 4.04Å; L80-C131 HydrophobicContact CD1-CB 4.38Å
81R98.9Very high98.5Very high0 Ų043.6 Ų43.60%020%0.199CC..  trans-82128173-159173.5-173.9169.36.9109.4E85 F116 D117 L119 P120 H133 Q153 L165R81-E85 HydrophobicContact CG-CB 3.89Å; R81-E85 PolarHBondContact NE-O 3.38Å; R81-E85 PolarHBondContact NH2-O 3.17Å; R81-F116 PolarHBondContact NE-O 2.77Å; R81-D117 IonicContact CZ-OD1 3.25Å; R81-D117 IonicContact NH1-OD1 2.69Å; R81-D117 IonicContact NH2-OD1 2.93Å; R81-D117 PolarHBondContact NH2-OD1 3.13Å; R81-L119 HydrophobicContact CB-CB 3.71Å; R81-L119 HydrophobicContact CB-CD1 4.36Å; R81-L119 HydrophobicContact CG-CB 4.11Å; R81-L119 HydrophobicContact CG-CD1 4.21Å; R81-P120 PolarHBondContact N-O 2.75Å; R81-H133 WeakPolarHBondContact O-CB 3.3Å; R81-Q153 PolarHBondContact NH1-O 2.99Å; R81-L165 HydrophobicContact CB-CD2 4.42Å; R81-L165 HydrophobicContact CG-CD1 4.4Å; R81-L165 WeakPolarHBondContact O-CD2 3.49Å
82G98.9Very high98.4Very high0 Ų044.6 Ų44.60%020%0.204CC..  trans-94.3174.8162.900000111.8D51 H84 E85 H133D51-G82 VanDerWaalsContact OD1-CA 3.32Å; D51-G82 WeakPolarHBondContact OD1-CA 3.48Å; G82-H84 PolarHBondContact O-N 2.77Å; G82-E85 WeakPolarHBondContact CA-OE2 3.46Å; G82-E85 PolarHBondContact N-OE2 3.09Å; G82-E85 PolarHBondContact O-N 3.32Å; G82-H133 VanDerWaalsContact CA-CD2 3.45Å; G82-H133 WeakPolarHBondContact CA-CD2 3.5Å; G82-H133 VanDerWaalsContact CA-CG 3.47Å
83N98.8Very high98.3Very high3 Ų341 Ų412%0.01619%0.191CC..THydrogen-bonded Turntrans-71-20.8177.466.3-66.8000112.2D51 S86 I89 H133 L165 W166 H207D51-N83 PolarHBondContact OD1-N 3.14Å; D51-N83 PolarHBondContact OD1-OD1 3.24Å; D51-N83 PolarHBondContact OD2-OD1 2.84Å; N83-S86 WeakPolarHBondContact O-CB 3.45Å; N83-I89 WeakPolarHBondContact O-CG1 3.3Å; N83-H133 PolarHBondContact N-CD2 2.75Å; N83-H133 VanDerWaalsContact N-CD2 3.26Å; N83-H133 PolarHBondContact OD1-CD2 2.92Å; N83-H133 VanDerWaalsContact OD1-CD2 3.26Å; N83-H133 PolarHBondContact OD1-NE2 2.69Å; N83-L165 HydrophobicContact CB-CB 4.18Å; N83-W166 HydrophobicContact CB-CD2 4Å; N83-W166 HydrophobicContact CB-CG 4.33Å; N83-W166 HydrophobicContact CB-CZ2 3.83Å; N83-W166 VanDerWaalsContact ND2-CH2 3.31Å; N83-W166 WeakPolarHBondContact ND2-CH2 3.15Å; N83-W166 WeakPolarHBondContact ND2-CZ2 3.26Å; N83-H207 PolarHBondContact OD1-CE1 3.3Å; N83-H207 VanDerWaalsContact OD1-CE1 3.3Å; N83-H207 PolarHBondContact OD1-ND1 2.69Å
84H98.8Very high98.2Very high12 Ų1238.4 Ų38.46%0.05618%0.183CC..THydrogen-bonded Turntrans-79.6-13.8174.2-78.5-100.1000114H25 D51 V53 D54 G82 S86 I89 T90H25-H84 AromaticContact CE1-CD2 3.52Å; H25-H84 AromaticContact CE1-CE1 3.95Å; H25-H84 AromaticContact CE1-CG 3.7Å; H25-H84 AromaticContact CE1-ND1 3.98Å; H25-H84 AromaticContact CE1-NE2 3.69Å; D51-H84 HydrophobicContact CB-CB 4.45Å; D51-H84 WeakPolarHBondContact OD1-CB 3.41Å; D51-H84 IonicContact OD1-CD2 3.23Å; D51-H84 IonicContact OD1-CG 3.87Å; D51-H84 PolarHBondContact OD1-N 3.01Å; D51-H84 IonicContact OD2-CD2 3.68Å; D51-H84 PolarHBondContact OD2-CD2 2.82Å; D51-H84 VanDerWaalsContact OD2-CD2 3.26Å; V53-H84 HydrophobicContact CG2-CB 4.33Å; D54-H84 VanDerWaalsContact CB-ND1 3.29Å; D54-H84 WeakPolarHBondContact CB-ND1 3.42Å; D54-H84 IonicContact OD2-CE1 2.77Å; D54-H84 IonicContact OD2-CG 3.28Å; D54-H84 IonicContact OD2-ND1 3.97Å; D54-H84 PolarHBondContact OD2-ND1 3.23Å; G82-H84 PolarHBondContact O-N 2.77Å; H84-S86 PolarHBondContact O-N 3.16Å; H84-I89 HydrophobicContact CB-CG2 4.28Å; H84-I89 VanDerWaalsContact CE1-CG2 3.49Å; H84-I89 WeakPolarHBondContact CE1-CG2 3.42Å; H84-I89 WeakPolarHBondContact ND1-CG2 3.31Å; H84-T90 WeakPolarHBondContact O-CG2 3.29Å
85E98.8Very high98.3Very high0 Ų036.4 Ų36.40%017%0.17CC..SBendtrans-79.752.8170-76.172.4-137.600111.7D51 Y52 V53 R81 G82 F116 L119D51-E85 PolarHBondContact N-OE2 3.48Å; Y52-E85 VanDerWaalsContact CD2-CD 3.45Å; Y52-E85 HydrophobicContact CD2-CG 3.87Å; Y52-E85 VanDerWaalsContact CD2-OE1 3.23Å; Y52-E85 WeakPolarHBondContact CD2-OE1 3.32Å; Y52-E85 HydrophobicContact CE2-CG 4.26Å; Y52-E85 PolarHBondContact N-OE1 3.36Å; V53-E85 PolarHBondContact N-OE1 3.09Å; R81-E85 HydrophobicContact CG-CB 3.89Å; R81-E85 PolarHBondContact NE-O 3.38Å; R81-E85 PolarHBondContact NH2-O 3.17Å; G82-E85 WeakPolarHBondContact CA-OE2 3.46Å; G82-E85 PolarHBondContact N-OE2 3.09Å; G82-E85 PolarHBondContact O-N 3.32Å; E85-F116 HydrophobicContact CB-CB 3.9Å; E85-F116 HydrophobicContact CB-CD1 4.09Å; E85-F116 HydrophobicContact CB-CD2 3.81Å; E85-F116 HydrophobicContact CB-CE2 4.35Å; E85-F116 HydrophobicContact CB-CG 3.67Å; E85-F116 HydrophobicContact CG-CD1 3.81Å; E85-F116 HydrophobicContact CG-CD2 4.08Å; E85-F116 HydrophobicContact CG-CE1 3.94Å; E85-F116 HydrophobicContact CG-CE2 4.19Å; E85-F116 HydrophobicContact CG-CG 3.9Å; E85-F116 HydrophobicContact CG-CZ 4.12Å; E85-F116 WeakPolarHBondContact O-CB 3.41Å; E85-L119 HydrophobicContact CB-CD1 4.04Å; E85-L119 HydrophobicContact CG-CD1 3.84Å
86S98.7Very high98.3Very high7 Ų731.2 Ų31.25%0.04914%0.143CC..SBendtrans-133.5142.3-175.4159.50000110.7N83 H84 Q88 T90 E154N83-S86 WeakPolarHBondContact O-CB 3.45Å; H84-S86 PolarHBondContact O-N 3.16Å; S86-Q88 VanDerWaalsContact C-N 3.33Å; S86-Q88 PolarHBondContact O-N 2.71Å; S86-Q88 PolarHBondContact OG-N 3.2Å; S86-T90 WeakPolarHBondContact O-CB 3.38Å; S86-T90 WeakPolarHBondContact O-CG2 3.43Å; S86-T90 PolarHBondContact O-N 2.86Å; S86-T90 PolarHBondContact O-OG1 2.8Å; S86-E154 WeakPolarHBondContact CA-OE1 3.42Å; S86-E154 VanDerWaalsContact CB-OE1 3.32Å; S86-E154 WeakPolarHBondContact CB-OE1 3.49Å; S86-E154 PolarHBondContact OG-OE1 3.42Å
87R98.8Very high98.3Very high53 Ų5329.9 Ų29.920%0.215%0.145CC..Hα-helixtrans-61.1-42.7175.6-70.1168.3-176.482.4-3.4111.8T90 Q91 W109 T113 D114 D117 E154R87-T90 PolarHBondContact O-OG1 3.5Å; R87-Q91 VanDerWaalsContact O-CG 3.26Å; R87-Q91 WeakPolarHBondContact O-CG 3.18Å; R87-Q91 PolarHBondContact O-N 2.96Å; R87-W109 HydrophobicContact CB-CH2 4.36Å; R87-W109 HydrophobicContact CB-CZ2 4.01Å; R87-W109 HydrophobicContact CG-CH2 4.33Å; R87-W109 HydrophobicContact CG-CZ2 4.14Å; R87-T113 HydrophobicContact CG-CG2 3.77Å; R87-T113 PolarHBondContact NH2-O 2.95Å; R87-D114 IonicContact CZ-OD1 3.33Å; R87-D114 IonicContact NE-OD1 3.26Å; R87-D114 IonicContact NH2-OD1 3.19Å; R87-D114 PolarHBondContact NH2-OD1 3.1Å; R87-D117 IonicContact CZ-OD1 2.68Å; R87-D117 IonicContact CZ-OD2 3.63Å; R87-D117 VanDerWaalsContact CZ-OD2 3.28Å; R87-D117 VanDerWaalsContact NH1-CG 3.3Å; R87-D117 IonicContact NH1-OD1 3.62Å; R87-D117 PolarHBondContact NH1-OD1 3.07Å; R87-D117 IonicContact NH1-OD2 3.35Å; R87-D117 PolarHBondContact NH1-OD2 3.25Å; R87-D117 IonicContact NH2-OD1 3.56Å; R87-D117 IonicContact NH2-OD2 2.68Å; R87-D117 PolarHBondContact NH2-OD2 2.77Å; R87-E154 WeakPolarHBondContact CB-OE2 3.18Å; R87-E154 WeakPolarHBondContact CD-OE2 3.31Å; R87-E154 VanDerWaalsContact CG-OE2 3.23Å; R87-E154 WeakPolarHBondContact CG-OE2 3.39Å; R87-E154 IonicContact CZ-OE2 3.8Å; R87-E154 PolarHBondContact N-OE1 3.11Å; R87-E154 PolarHBondContact N-OE2 3.26Å; R87-E154 VanDerWaalsContact N-OE2 3.16Å; R87-E154 IonicContact NE-OE2 3.94Å; R87-E154 IonicContact NH1-OE2 2.96Å; R87-E154 PolarHBondContact NH1-OE2 3.26Å
88Q97.7Very high98.3Very high83 Ų8330.1 Ų30.139%0.38815%0.146SC..Hα-helixtrans-69.2-42.4-174.9-56.9-168.140.300111.6S86 H157S86-Q88 VanDerWaalsContact C-N 3.33Å; S86-Q88 PolarHBondContact O-N 2.71Å; S86-Q88 PolarHBondContact OG-N 3.2Å; Q88-H157 PolarHBondContact NE2-CE1 3.26Å; Q88-H157 VanDerWaalsContact NE2-CE1 3.34Å; Q88-H157 PolarHBondContact NE2-NE2 3.46Å; Q88-H157 VanDerWaalsContact NE2-NE2 3.17Å; Q88-H157 PolarHBondContact OE1-CE1 2.68Å; Q88-H157 PolarHBondContact OE1-NE2 2.89Å
89I98.2Very high98.3Very high26 Ų2629.6 Ų29.613%0.13314%0.142CC..Hα-helixtrans-69.6-47.3-179.7-57.3-55.7000110.4N83 H84 Q91 V92 Y93 W166N83-I89 WeakPolarHBondContact O-CG1 3.3Å; H84-I89 HydrophobicContact CB-CG2 4.28Å; H84-I89 VanDerWaalsContact CE1-CG2 3.49Å; H84-I89 WeakPolarHBondContact CE1-CG2 3.42Å; H84-I89 WeakPolarHBondContact ND1-CG2 3.31Å; I89-Q91 PolarHBondContact O-N 2.82Å; I89-Q91 VanDerWaalsContact O-N 3.14Å; I89-V92 PolarHBondContact O-N 3.16Å; I89-Y93 HydrophobicContact CB-CD2 4.45Å; I89-Y93 HydrophobicContact CD1-CE2 4.42Å; I89-Y93 HydrophobicContact CG2-CD2 3.55Å; I89-Y93 HydrophobicContact CG2-CE2 4.14Å; I89-Y93 HydrophobicContact CG2-CG 4.41Å; I89-Y93 WeakPolarHBondContact O-CD2 3.42Å; I89-Y93 PolarHBondContact O-N 3.28Å; I89-W166 HydrophobicContact CD1-CH2 3.97Å; I89-W166 HydrophobicContact CD1-CZ2 3.76Å; I89-W166 HydrophobicContact CG1-CZ2 4.09Å
90T98.5Very high98.2Very high0 Ų032.8 Ų32.80%016%0.159CC..Hα-helixtrans-64.8-22.5-177.953.40000114.9V53 D54 H84 S86 R87 V92 F95 Y96 W109V53-T90 HydrophobicContact CG2-CG2 3.8Å; D54-T90 WeakPolarHBondContact OD1-CA 3.4Å; D54-T90 WeakPolarHBondContact OD2-CA 3.44Å; H84-T90 WeakPolarHBondContact O-CG2 3.29Å; S86-T90 WeakPolarHBondContact O-CB 3.38Å; S86-T90 WeakPolarHBondContact O-CG2 3.43Å; S86-T90 PolarHBondContact O-N 2.86Å; S86-T90 PolarHBondContact O-OG1 2.8Å; R87-T90 PolarHBondContact O-OG1 3.5Å; T90-V92 VanDerWaalsContact C-N 3.26Å; T90-V92 PolarHBondContact O-N 3.09Å; T90-F95 HydrophobicContact CG2-CB 3.9Å; T90-F95 HydrophobicContact CG2-CD1 3.67Å; T90-F95 HydrophobicContact CG2-CG 4.22Å; T90-Y96 WeakPolarHBondContact O-CB 3.49Å; T90-Y96 PolarHBondContact O-N 3.39Å; T90-W109 PolarHBondContact OG1-NE1 3.06Å
91Q97.6Very high98.2Very high106 Ų10640.2 Ų40.250%0.49519%0.187SC..Hα-helixtrans-69.8-23173.2-80.4178.2-3200113.3R87 I89 Y96 W109R87-Q91 VanDerWaalsContact O-CG 3.26Å; R87-Q91 WeakPolarHBondContact O-CG 3.18Å; R87-Q91 PolarHBondContact O-N 2.96Å; I89-Q91 PolarHBondContact O-N 2.82Å; I89-Q91 VanDerWaalsContact O-N 3.14Å; Q91-Y96 HydrophobicContact CG-CD2 4.36Å; Q91-Y96 HydrophobicContact CG-CG 4.44Å; Q91-W109 HydrophobicContact CG-CH2 4.33Å; Q91-W109 HydrophobicContact CG-CZ2 3.77Å
92V96.6Very high98.1Very high90 Ų9043.4 Ų43.455%0.54520%0.201SC..Hα-helixtrans-107.6-36.5-174.1-178.10000111.6I89 T90I89-V92 PolarHBondContact O-N 3.16Å; T90-V92 VanDerWaalsContact C-N 3.26Å; T90-V92 PolarHBondContact O-N 3.09Å
93Y96.4Very high98.1Very high80 Ų8048.6 Ų48.631%0.31422%0.221SC..Hα-helixtrans-101.711.3-167.5-65.7-79.1000115.3D54 R55 I89D54-Y93 WeakPolarHBondContact CB-O 3.45Å; R55-Y93 PolarHBondContact N-O 3.05Å; I89-Y93 HydrophobicContact CB-CD2 4.45Å; I89-Y93 HydrophobicContact CD1-CE2 4.42Å; I89-Y93 HydrophobicContact CG2-CD2 3.55Å; I89-Y93 HydrophobicContact CG2-CE2 4.14Å; I89-Y93 HydrophobicContact CG2-CG 4.41Å; I89-Y93 WeakPolarHBondContact O-CD2 3.42Å; I89-Y93 PolarHBondContact O-N 3.28Å
94G96.6Very high98.1Very high5 Ų551.6 Ų51.65%0.05225%0.252CS..SBendtrans119.5-21.2158.600000116.3D54 Y96 D97 E98D54-G94 PolarHBondContact OD1-N 3.43Å; G94-Y96 PolarHBondContact O-N 2.85Å; G94-D97 PolarHBondContact O-N 3.39Å; G94-E98 WeakPolarHBondContact O-CB 3.45Å; G94-E98 PolarHBondContact O-N 2.93Å
95F98.7Very high98Very high0 Ų054.1 Ų54.10%027%0.267CS..Hα-helixtrans-66.9-38.1-176.1-179.2-124.9000113.3V53 D54 S59 V60 V63 T90 E98 C99 W109 F112 F116V53-F95 HydrophobicContact CB-CB 4.06Å; V53-F95 HydrophobicContact CB-CD1 4.24Å; V53-F95 HydrophobicContact CB-CD2 3.94Å; V53-F95 HydrophobicContact CB-CE2 4.39Å; V53-F95 HydrophobicContact CB-CG 3.83Å; V53-F95 HydrophobicContact CG1-CD1 4.26Å; V53-F95 HydrophobicContact CG1-CD2 3.9Å; V53-F95 HydrophobicContact CG1-CE1 4.22Å; V53-F95 HydrophobicContact CG1-CE2 3.82Å; V53-F95 HydrophobicContact CG1-CG 4.09Å; V53-F95 HydrophobicContact CG1-CZ 3.98Å; V53-F95 HydrophobicContact CG2-CB 4.3Å; V53-F95 HydrophobicContact CG2-CD1 4.25Å; V53-F95 HydrophobicContact CG2-CG 4.21Å; D54-F95 WeakPolarHBondContact OD1-CB 3.11Å; D54-F95 PolarHBondContact OD1-N 2.87Å; S59-F95 VanDerWaalsContact CB-CD2 3.49Å; V60-F95 HydrophobicContact CG2-CD2 4.5Å; V60-F95 HydrophobicContact CG2-CE2 3.93Å; V63-F95 HydrophobicContact CG1-CE2 4.2Å; V63-F95 HydrophobicContact CG1-CZ 4.08Å; T90-F95 HydrophobicContact CG2-CB 3.9Å; T90-F95 HydrophobicContact CG2-CD1 3.67Å; T90-F95 HydrophobicContact CG2-CG 4.22Å; F95-E98 PolarHBondContact O-N 2.75Å; F95-C99 PolarHBondContact O-N 2.71Å; F95-C99 PolarHBondContact O-SG 2.79Å; F95-W109 AromaticContact CD1-CD1 3.84Å; F95-F112 HydrophobicContact CE1-CB 3.81Å; F95-F112 HydrophobicContact CE1-CD2 4.34Å; F95-F112 HydrophobicContact CE1-CG 4.31Å; F95-F112 HydrophobicContact CZ-CB 3.86Å; F95-F112 AromaticContact CZ-CD2 3.59Å; F95-F112 HydrophobicContact CZ-CD2 3.59Å; F95-F112 HydrophobicContact CZ-CE2 4.34Å; F95-F112 AromaticContact CZ-CG 3.84Å; F95-F112 HydrophobicContact CZ-CG 3.84Å; F95-F116 HydrophobicContact CD1-CE2 4.36Å; F95-F116 AromaticContact CE1-CE2 3.91Å; F95-F116 HydrophobicContact CE1-CE2 3.91Å; F95-F116 AromaticContact CE1-CZ 3.87Å; F95-F116 HydrophobicContact CE1-CZ 3.87Å; F95-F116 HydrophobicContact CZ-CZ 4.32Å
96Y98.6Very high98Very high65 Ų6555.7 Ų55.726%0.25528%0.28SS..Hα-helixtrans-58.6-50.5173.5179-93.4000111.4T90 Q91 G94 E98 C99 L100 A106 W109T90-Y96 WeakPolarHBondContact O-CB 3.49Å; T90-Y96 PolarHBondContact O-N 3.39Å; Q91-Y96 HydrophobicContact CG-CD2 4.36Å; Q91-Y96 HydrophobicContact CG-CG 4.44Å; G94-Y96 PolarHBondContact O-N 2.85Å; Y96-E98 VanDerWaalsContact C-N 3.32Å; Y96-E98 PolarHBondContact O-N 3.07Å; Y96-C99 PolarHBondContact O-N 2.89Å; Y96-L100 HydrophobicContact CE1-CD2 4.27Å; Y96-L100 PolarHBondContact O-N 2.86Å; Y96-A106 HydrophobicContact CE2-CB 4.13Å; Y96-W109 HydrophobicContact CD2-CB 4.32Å; Y96-W109 AromaticContact CD2-CD1 3.94Å; Y96-W109 AromaticContact CD2-CD2 3.48Å; Y96-W109 HydrophobicContact CD2-CD2 3.48Å; Y96-W109 VanDerWaalsContact CD2-CD2 3.48Å; Y96-W109 AromaticContact CD2-CE2 3.67Å; Y96-W109 AromaticContact CD2-CE3 3.86Å; Y96-W109 HydrophobicContact CD2-CE3 3.86Å; Y96-W109 AromaticContact CD2-CG 3.67Å; Y96-W109 HydrophobicContact CD2-CG 3.67Å; Y96-W109 HydrophobicContact CD2-CZ2 4.22Å; Y96-W109 HydrophobicContact CD2-CZ3 4.37Å; Y96-W109 AromaticContact CD2-NE1 3.94Å; Y96-W109 HydrophobicContact CE2-CD2 4.01Å; Y96-W109 AromaticContact CE2-CE3 3.9Å; Y96-W109 HydrophobicContact CE2-CE3 3.9Å; Y96-W109 HydrophobicContact CE2-CG 4.41Å; Y96-W109 HydrophobicContact CE2-CZ3 4.27Å
97D97.9Very high98Very high82 Ų8259.3 Ų59.344%0.43930%0.298SS..Hα-helixtrans-64-37.6179.5-74.3-16.2000112G94 R101G94-D97 PolarHBondContact O-N 3.39Å; D97-R101 WeakPolarHBondContact O-CB 3.45Å; D97-R101 PolarHBondContact O-N 3.01Å
98E98.4Very high98Very high6 Ų658 Ų583%0.02830%0.296CS..Hα-helixtrans-61.6-48174.3-169.2-172.8144.500111.4S59 V60 G94 F95 Y96 R101 K102S59-E98 WeakPolarHBondContact CB-OE2 3.26Å; S59-E98 PolarHBondContact N-OE1 2.87Å; S59-E98 VanDerWaalsContact N-OE1 3.09Å; S59-E98 PolarHBondContact N-OE2 3.32Å; S59-E98 PolarHBondContact OG-OE2 2.98Å; V60-E98 VanDerWaalsContact CB-OE1 3.26Å; V60-E98 WeakPolarHBondContact CB-OE1 3.41Å; V60-E98 HydrophobicContact CG2-CG 4.07Å; V60-E98 VanDerWaalsContact CG2-OE1 3.3Å; V60-E98 WeakPolarHBondContact CG2-OE1 3.36Å; V60-E98 PolarHBondContact N-OE1 3.2Å; G94-E98 WeakPolarHBondContact O-CB 3.45Å; G94-E98 PolarHBondContact O-N 2.93Å; F95-E98 PolarHBondContact O-N 2.75Å; Y96-E98 VanDerWaalsContact C-N 3.32Å; Y96-E98 PolarHBondContact O-N 3.07Å; E98-R101 PolarHBondContact O-N 3.36Å; E98-K102 HydrophobicContact CG-CD 3.99Å; E98-K102 WeakPolarHBondContact O-CB 3.31Å; E98-K102 WeakPolarHBondContact O-CG 3.46Å; E98-K102 PolarHBondContact O-N 3.44Å; E98-K102 WeakPolarHBondContact OE1-CE 3.33Å; E98-K102 IonicContact OE1-NZ 2.76Å; E98-K102 PolarHBondContact OE1-NZ 3.3Å
99C98.6Very high98Very high0 Ų055.5 Ų55.50%028%0.283CS..Hα-helixtrans-60.4-48.3176.9-71.70000111.5F95 Y96 R101 K102 Y103 W109F95-C99 PolarHBondContact O-N 2.71Å; F95-C99 PolarHBondContact O-SG 2.79Å; Y96-C99 PolarHBondContact O-N 2.89Å; C99-R101 VanDerWaalsContact C-N 3.32Å; C99-R101 PolarHBondContact O-N 3.14Å; C99-K102 PolarHBondContact O-N 2.96Å; C99-Y103 WeakPolarHBondContact O-CB 3.46Å; C99-Y103 WeakPolarHBondContact O-CD2 3.05Å; C99-Y103 PolarHBondContact O-N 3.12Å; C99-W109 HydrophobicContact CB-CB 3.8Å
100L98.1Very high98.1Very high70 Ų7059.2 Ų59.237%0.36630%0.298SS..Hα-helixtrans-60.9-43.2180-175.861.8000111.3Y96 G104Y96-L100 HydrophobicContact CE1-CD2 4.27Å; Y96-L100 PolarHBondContact O-N 2.86Å; L100-G104 VanDerWaalsContact O-CA 3.23Å; L100-G104 WeakPolarHBondContact O-CA 3.33Å; L100-G104 PolarHBondContact O-N 3.47Å
101R98.1Very high98.1Very high157 Ų15766.2 Ų66.259%0.59233%0.326SS*.Hα-helixtrans-66.6-40.9178.6179.4173.656.6103.6-1.7113D97 E98 C99D97-R101 WeakPolarHBondContact O-CB 3.45Å; D97-R101 PolarHBondContact O-N 3.01Å; E98-R101 PolarHBondContact O-N 3.36Å; C99-R101 VanDerWaalsContact C-N 3.32Å; C99-R101 PolarHBondContact O-N 3.14Å
102K98.3Very high98.2Very high66 Ų6662.3 Ų62.329%0.28731%0.307SS..Hα-helixtrans-79.9-31.4-176.8-72.8-177.8179.8174.40113.3Y57 V60 E61 E98 C99Y57-K102 PolarHBondContact O-NZ 3.47Å; V60-K102 HydrophobicContact CB-CD 4.24Å; V60-K102 HydrophobicContact CG2-CD 4.22Å; E61-K102 IonicContact OE1-NZ 3.61Å; E61-K102 PolarHBondContact OE1-NZ 3.45Å; E61-K102 IonicContact OE2-NZ 3.13Å; E61-K102 PolarHBondContact OE2-NZ 2.86Å; E98-K102 HydrophobicContact CG-CD 3.99Å; E98-K102 WeakPolarHBondContact O-CB 3.31Å; E98-K102 WeakPolarHBondContact O-CG 3.46Å; E98-K102 PolarHBondContact O-N 3.44Å; E98-K102 WeakPolarHBondContact OE1-CE 3.33Å; E98-K102 IonicContact OE1-NZ 2.76Å; E98-K102 PolarHBondContact OE1-NZ 3.3Å; C99-K102 PolarHBondContact O-N 2.96Å
103Y98.3Very high98.3Very high110 Ų11058.1 Ų58.143%0.43128%0.282SS..Hα-helixtrans-117.4-6-172.1-61.6-82.8000114.7V60 C99 N105 V108V60-Y103 HydrophobicContact CG1-CE2 3.7Å; V60-Y103 WeakPolarHBondContact CG1-OH 3.41Å; V60-Y103 HydrophobicContact CG2-CE2 4.17Å; C99-Y103 WeakPolarHBondContact O-CB 3.46Å; C99-Y103 WeakPolarHBondContact O-CD2 3.05Å; C99-Y103 PolarHBondContact O-N 3.12Å; Y103-N105 PolarHBondContact O-N 3.45Å; Y103-N105 PolarHBondContact O-ND2 2.98Å; Y103-V108 HydrophobicContact CD1-CG2 3.74Å; Y103-V108 HydrophobicContact CD2-CB 3.87Å; Y103-V108 HydrophobicContact CD2-CG1 3.96Å; Y103-V108 HydrophobicContact CD2-CG2 3.74Å; Y103-V108 HydrophobicContact CE1-CG2 4.08Å; Y103-V108 HydrophobicContact CE2-CB 4.18Å; Y103-V108 HydrophobicContact CE2-CG1 3.76Å; Y103-V108 HydrophobicContact CE2-CG2 4.08Å; Y103-V108 HydrophobicContact CG-CB 4.17Å; Y103-V108 HydrophobicContact CG-CG2 3.56Å
104G98Very high98.4Very high65 Ų6556 Ų5667%0.6728%0.276SS*.SBendtrans73.43.1176.400000115.1L100L100-G104 VanDerWaalsContact O-CA 3.23Å; L100-G104 WeakPolarHBondContact O-CA 3.33Å; L100-G104 PolarHBondContact O-N 3.47Å
105N97.9Very high98.5Very high66 Ų6656.4 Ų56.435%0.35328%0.277SS..SBendtrans-158.3171.8175.963.975.9000111Y103 N107Y103-N105 PolarHBondContact O-N 3.45Å; Y103-N105 PolarHBondContact O-ND2 2.98Å; N105-N107 PolarHBondContact O-N 2.89Å; N105-N107 WeakPolarHBondContact OD1-CB 3.3Å; N105-N107 PolarHBondContact OD1-N 2.85Å; N105-N107 PolarHBondContact OD1-ND2 3.11Å
106A97.9Very high98.5Very high33 Ų3356.5 Ų56.527%0.27328%0.277SS..SBendtrans-85.83-175.300000115.1Y96 V108 W109 K110Y96-A106 HydrophobicContact CE2-CB 4.13Å; A106-V108 PolarHBondContact O-N 2.8Å; A106-W109 PolarHBondContact O-N 3.37Å; A106-K110 PolarHBondContact O-N 2.95Å
107N98.7Very high98.5Very high82 Ų8254.2 Ų54.244%0.43927%0.269SS..Hα-helixtrans-64.1-42.3-172.9-68-25.2000112.3N105 W109 K110 Y111N105-N107 PolarHBondContact O-N 2.89Å; N105-N107 WeakPolarHBondContact OD1-CB 3.3Å; N105-N107 PolarHBondContact OD1-N 2.85Å; N105-N107 PolarHBondContact OD1-ND2 3.11Å; N107-W109 PolarHBondContact O-N 3.18Å; N107-K110 WeakPolarHBondContact O-CB 3.42Å; N107-K110 PolarHBondContact O-N 3.27Å; N107-Y111 HydrophobicContact CB-CE2 3.93Å; N107-Y111 WeakPolarHBondContact O-CD2 3.37Å; N107-Y111 PolarHBondContact O-N 3.29Å
108V98.7Very high98.6Very high25 Ų2553.3 Ų53.315%0.15226%0.26CS..Hα-helixtrans-62.8-43.9179.41750000111.3Y103 A106 K110 Y111 F112Y103-V108 HydrophobicContact CD1-CG2 3.74Å; Y103-V108 HydrophobicContact CD2-CB 3.87Å; Y103-V108 HydrophobicContact CD2-CG1 3.96Å; Y103-V108 HydrophobicContact CD2-CG2 3.74Å; Y103-V108 HydrophobicContact CE1-CG2 4.08Å; Y103-V108 HydrophobicContact CE2-CB 4.18Å; Y103-V108 HydrophobicContact CE2-CG1 3.76Å; Y103-V108 HydrophobicContact CE2-CG2 4.08Å; Y103-V108 HydrophobicContact CG-CB 4.17Å; Y103-V108 HydrophobicContact CG-CG2 3.56Å; A106-V108 PolarHBondContact O-N 2.8Å; V108-K110 VanDerWaalsContact C-N 3.34Å; V108-K110 PolarHBondContact O-N 2.96Å; V108-Y111 PolarHBondContact O-N 2.62Å; V108-F112 HydrophobicContact CG1-CD2 3.65Å; V108-F112 HydrophobicContact CG1-CE2 3.49Å; V108-F112 VanDerWaalsContact CG1-CE2 3.49Å; V108-F112 VanDerWaalsContact O-CD2 3.26Å; V108-F112 WeakPolarHBondContact O-CD2 3.23Å; V108-F112 PolarHBondContact O-N 3.2Å
109W98.9Very high98.6Very high31 Ų3153.2 Ų53.212%0.11726%0.26CS..Hα-helixtrans-59.9-43.8173.9172.381.8000111.7R87 T90 Q91 F95 Y96 C99 A106 N107 Y111 F112 T113R87-W109 HydrophobicContact CB-CH2 4.36Å; R87-W109 HydrophobicContact CB-CZ2 4.01Å; R87-W109 HydrophobicContact CG-CH2 4.33Å; R87-W109 HydrophobicContact CG-CZ2 4.14Å; T90-W109 PolarHBondContact OG1-NE1 3.06Å; Q91-W109 HydrophobicContact CG-CH2 4.33Å; Q91-W109 HydrophobicContact CG-CZ2 3.77Å; F95-W109 AromaticContact CD1-CD1 3.84Å; Y96-W109 HydrophobicContact CD2-CB 4.32Å; Y96-W109 AromaticContact CD2-CD1 3.94Å; Y96-W109 AromaticContact CD2-CD2 3.48Å; Y96-W109 HydrophobicContact CD2-CD2 3.48Å; Y96-W109 VanDerWaalsContact CD2-CD2 3.48Å; Y96-W109 AromaticContact CD2-CE2 3.67Å; Y96-W109 AromaticContact CD2-CE3 3.86Å; Y96-W109 HydrophobicContact CD2-CE3 3.86Å; Y96-W109 AromaticContact CD2-CG 3.67Å; Y96-W109 HydrophobicContact CD2-CG 3.67Å; Y96-W109 HydrophobicContact CD2-CZ2 4.22Å; Y96-W109 HydrophobicContact CD2-CZ3 4.37Å; Y96-W109 AromaticContact CD2-NE1 3.94Å; Y96-W109 HydrophobicContact CE2-CD2 4.01Å; Y96-W109 AromaticContact CE2-CE3 3.9Å; Y96-W109 HydrophobicContact CE2-CE3 3.9Å; Y96-W109 HydrophobicContact CE2-CG 4.41Å; Y96-W109 HydrophobicContact CE2-CZ3 4.27Å; C99-W109 HydrophobicContact CB-CB 3.8Å; A106-W109 PolarHBondContact O-N 3.37Å; N107-W109 PolarHBondContact O-N 3.18Å; W109-Y111 PolarHBondContact O-N 2.77Å; W109-F112 PolarHBondContact O-N 2.74Å; W109-T113 HydrophobicContact CD2-CG2 4.21Å; W109-T113 HydrophobicContact CG-CG2 4.44Å; W109-T113 HydrophobicContact CZ2-CG2 4.02Å; W109-T113 WeakPolarHBondContact O-CB 3.38Å; W109-T113 WeakPolarHBondContact O-CG2 3.5Å; W109-T113 PolarHBondContact O-N 3.21Å; W109-T113 PolarHBondContact O-OG1 3.23Å
110K98.8Very high98.6Very high105 Ų10553.2 Ų53.246%0.45726%0.26SS..Hα-helixtrans-60.7-43.8176-179.4174.1171.953.40111.7A106 N107 V108 F112 T113 D114A106-K110 PolarHBondContact O-N 2.95Å; N107-K110 WeakPolarHBondContact O-CB 3.42Å; N107-K110 PolarHBondContact O-N 3.27Å; V108-K110 VanDerWaalsContact C-N 3.34Å; V108-K110 PolarHBondContact O-N 2.96Å; K110-F112 PolarHBondContact O-N 2.88Å; K110-T113 WeakPolarHBondContact CA-OG1 3.21Å; K110-T113 PolarHBondContact O-OG1 3.44Å; K110-D114 IonicContact NZ-OD1 3.45Å; K110-D114 IonicContact NZ-OD2 2.87Å; K110-D114 PolarHBondContact NZ-OD2 3.12Å; K110-D114 VanDerWaalsContact O-CB 3.3Å; K110-D114 WeakPolarHBondContact O-CB 3.49Å; K110-D114 PolarHBondContact O-N 3.35Å
111Y98.9Very high98.6Very high146 Ų14649.9 Ų49.957%0.57324%0.242SC*.Hα-helixtrans-63.9-40.4179-59.6-30.2000112.6N107 V108 W109 L115N107-Y111 HydrophobicContact CB-CE2 3.93Å; N107-Y111 WeakPolarHBondContact O-CD2 3.37Å; N107-Y111 PolarHBondContact O-N 3.29Å; V108-Y111 PolarHBondContact O-N 2.62Å; W109-Y111 PolarHBondContact O-N 2.77Å; Y111-L115 WeakPolarHBondContact O-CB 3.49Å; Y111-L115 PolarHBondContact O-N 3.39Å; Y111-L115 VanDerWaalsContact O-N 3.15Å
112F98.9Very high98.7Very high25 Ų2542.4 Ų42.411%0.1121%0.214CC..Hα-helixtrans-69.6-47.4176.3-80.2-60000112.4V63 T64 F95 V108 W109 K110 D114 L115 F116V63-F112 HydrophobicContact CG1-CD1 3.93Å; V63-F112 HydrophobicContact CG1-CD2 4.43Å; V63-F112 HydrophobicContact CG1-CE1 3.65Å; V63-F112 HydrophobicContact CG1-CE2 4.15Å; V63-F112 HydrophobicContact CG1-CG 4.33Å; V63-F112 HydrophobicContact CG1-CZ 3.78Å; V63-F112 HydrophobicContact CG2-CD1 4.33Å; V63-F112 HydrophobicContact CG2-CE1 4.38Å; T64-F112 WeakPolarHBondContact OG1-CZ 3.2Å; F95-F112 HydrophobicContact CE1-CB 3.81Å; F95-F112 HydrophobicContact CE1-CD2 4.34Å; F95-F112 HydrophobicContact CE1-CG 4.31Å; F95-F112 HydrophobicContact CZ-CB 3.86Å; F95-F112 AromaticContact CZ-CD2 3.59Å; F95-F112 HydrophobicContact CZ-CD2 3.59Å; F95-F112 HydrophobicContact CZ-CE2 4.34Å; F95-F112 AromaticContact CZ-CG 3.84Å; F95-F112 HydrophobicContact CZ-CG 3.84Å; V108-F112 HydrophobicContact CG1-CD2 3.65Å; V108-F112 HydrophobicContact CG1-CE2 3.49Å; V108-F112 VanDerWaalsContact CG1-CE2 3.49Å; V108-F112 VanDerWaalsContact O-CD2 3.26Å; V108-F112 WeakPolarHBondContact O-CD2 3.23Å; V108-F112 PolarHBondContact O-N 3.2Å; W109-F112 PolarHBondContact O-N 2.74Å; K110-F112 PolarHBondContact O-N 2.88Å; F112-D114 VanDerWaalsContact C-N 3.32Å; F112-D114 PolarHBondContact O-N 3.47Å; F112-L115 HydrophobicContact CD1-CD2 4.45Å; F112-L115 CarbonylContact O-C 3.59Å; F112-L115 WeakPolarHBondContact O-CA 3.12Å; F112-L115 VanDerWaalsContact O-CB 3.29Å; F112-L115 WeakPolarHBondContact O-CB 3.23Å; F112-L115 PolarHBondContact O-N 3.1Å; F112-F116 HydrophobicContact CB-CE1 4.1Å; F112-F116 HydrophobicContact CB-CE2 4.24Å; F112-F116 HydrophobicContact CB-CZ 3.79Å; F112-F116 HydrophobicContact CD1-CE1 4.34Å; F112-F116 HydrophobicContact CG-CZ 4.47Å; F112-F116 WeakPolarHBondContact O-CD1 3.26Å; F112-F116 WeakPolarHBondContact O-CG 3.31Å; F112-F116 PolarHBondContact O-N 3.08Å
113T98.8Very high98.7Very high1 Ų139.2 Ų39.21%0.00620%0.2CC..Hα-helixtrans-63.8-37.5178.349.20000112.6R87 W109 K110 L115 F116R87-T113 HydrophobicContact CG-CG2 3.77Å; R87-T113 PolarHBondContact NH2-O 2.95Å; W109-T113 HydrophobicContact CD2-CG2 4.21Å; W109-T113 HydrophobicContact CG-CG2 4.44Å; W109-T113 HydrophobicContact CZ2-CG2 4.02Å; W109-T113 WeakPolarHBondContact O-CB 3.38Å; W109-T113 WeakPolarHBondContact O-CG2 3.5Å; W109-T113 PolarHBondContact O-N 3.21Å; W109-T113 PolarHBondContact O-OG1 3.23Å; K110-T113 WeakPolarHBondContact CA-OG1 3.21Å; K110-T113 PolarHBondContact O-OG1 3.44Å; T113-L115 PolarHBondContact O-N 3.12Å; T113-F116 HydrophobicContact CG2-CD2 4.08Å; T113-F116 HydrophobicContact CG2-CE2 4.24Å; T113-F116 PolarHBondContact O-N 3.31Å
114D98.8Very high98.7Very high37 Ų3734.4 Ų34.420%0.19818%0.182CC..Hα-helixtrans-69.3-17.9171.9-61.9-18.9000112.8K2 R87 K110 F112 Y118K2-D114 VanDerWaalsContact CE-C 3.5Å; K2-D114 WeakPolarHBondContact CE-O 3.36Å; K2-D114 VanDerWaalsContact NZ-C 3.28Å; K2-D114 PolarHBondContact NZ-O 3.24Å; R87-D114 IonicContact CZ-OD1 3.33Å; R87-D114 IonicContact NE-OD1 3.26Å; R87-D114 IonicContact NH2-OD1 3.19Å; R87-D114 PolarHBondContact NH2-OD1 3.1Å; K110-D114 IonicContact NZ-OD1 3.45Å; K110-D114 IonicContact NZ-OD2 2.87Å; K110-D114 PolarHBondContact NZ-OD2 3.12Å; K110-D114 VanDerWaalsContact O-CB 3.3Å; K110-D114 WeakPolarHBondContact O-CB 3.49Å; K110-D114 PolarHBondContact O-N 3.35Å; F112-D114 VanDerWaalsContact C-N 3.32Å; F112-D114 PolarHBondContact O-N 3.47Å; D114-Y118 WeakPolarHBondContact O-CD2 3.35Å; D114-Y118 WeakPolarHBondContact O-CE2 3.4Å
115L98.9Very high98.8Very high12 Ų1231.3 Ų31.36%0.06315%0.15CC..Hα-helixtrans-84.6-36.1172170.966.7000111.5A1 K2 L5 V67 Y111 F112 T113 D117 Y118A1-L115 HydrophobicContact CB-CD1 3.57Å; A1-L115 HydrophobicContact CB-CD2 4.03Å; A1-L115 HydrophobicContact CB-CG 4.49Å; K2-L115 HydrophobicContact CB-CD1 4.43Å; K2-L115 HydrophobicContact CG-CB 4.47Å; K2-L115 HydrophobicContact CG-CD1 3.56Å; L5-L115 HydrophobicContact CD1-CD1 3.68Å; L5-L115 HydrophobicContact CD1-CG 4.5Å; V67-L115 HydrophobicContact CB-CD2 4.5Å; V67-L115 HydrophobicContact CG1-CD2 3.84Å; V67-L115 HydrophobicContact CG2-CD2 3.8Å; Y111-L115 WeakPolarHBondContact O-CB 3.49Å; Y111-L115 PolarHBondContact O-N 3.39Å; Y111-L115 VanDerWaalsContact O-N 3.15Å; F112-L115 HydrophobicContact CD1-CD2 4.45Å; F112-L115 CarbonylContact O-C 3.59Å; F112-L115 WeakPolarHBondContact O-CA 3.12Å; F112-L115 VanDerWaalsContact O-CB 3.29Å; F112-L115 WeakPolarHBondContact O-CB 3.23Å; F112-L115 PolarHBondContact O-N 3.1Å; T113-L115 PolarHBondContact O-N 3.12Å; L115-D117 PolarHBondContact O-N 2.8Å; L115-Y118 WeakPolarHBondContact O-CB 3.32Å; L115-Y118 PolarHBondContact O-N 2.77Å
116F98.9Very high98.8Very high2 Ų231.5 Ų31.51%0.00915%0.151CC..Hα-helixtrans-57.9-33.4-179.8-65.7-16.6000112.8V53 V63 R81 E85 F95 F112 T113 Y118 L119V53-F116 HydrophobicContact CG1-CZ 4.08Å; V53-F116 HydrophobicContact CG2-CE2 4.45Å; V53-F116 HydrophobicContact CG2-CZ 4.49Å; V63-F116 HydrophobicContact CG2-CE1 3.82Å; V63-F116 HydrophobicContact CG2-CZ 4.2Å; R81-F116 PolarHBondContact NE-O 2.77Å; E85-F116 HydrophobicContact CB-CB 3.9Å; E85-F116 HydrophobicContact CB-CD1 4.09Å; E85-F116 HydrophobicContact CB-CD2 3.81Å; E85-F116 HydrophobicContact CB-CE2 4.35Å; E85-F116 HydrophobicContact CB-CG 3.67Å; E85-F116 HydrophobicContact CG-CD1 3.81Å; E85-F116 HydrophobicContact CG-CD2 4.08Å; E85-F116 HydrophobicContact CG-CE1 3.94Å; E85-F116 HydrophobicContact CG-CE2 4.19Å; E85-F116 HydrophobicContact CG-CG 3.9Å; E85-F116 HydrophobicContact CG-CZ 4.12Å; E85-F116 WeakPolarHBondContact O-CB 3.41Å; F95-F116 HydrophobicContact CD1-CE2 4.36Å; F95-F116 AromaticContact CE1-CE2 3.91Å; F95-F116 HydrophobicContact CE1-CE2 3.91Å; F95-F116 AromaticContact CE1-CZ 3.87Å; F95-F116 HydrophobicContact CE1-CZ 3.87Å; F95-F116 HydrophobicContact CZ-CZ 4.32Å; F112-F116 HydrophobicContact CB-CE1 4.1Å; F112-F116 HydrophobicContact CB-CE2 4.24Å; F112-F116 HydrophobicContact CB-CZ 3.79Å; F112-F116 HydrophobicContact CD1-CE1 4.34Å; F112-F116 HydrophobicContact CG-CZ 4.47Å; F112-F116 WeakPolarHBondContact O-CD1 3.26Å; F112-F116 WeakPolarHBondContact O-CG 3.31Å; F112-F116 PolarHBondContact O-N 3.08Å; T113-F116 HydrophobicContact CG2-CD2 4.08Å; T113-F116 HydrophobicContact CG2-CE2 4.24Å; T113-F116 PolarHBondContact O-N 3.31Å; F116-Y118 PolarHBondContact O-N 2.8Å; F116-Y118 VanDerWaalsContact O-N 3.08Å; F116-L119 HydrophobicContact CB-CD1 4.33Å; F116-L119 HydrophobicContact CD1-CD1 3.95Å; F116-L119 HydrophobicContact CG-CD1 4.47Å; F116-L119 WeakPolarHBondContact O-CB 3.42Å; F116-L119 PolarHBondContact O-N 3.15Å; F116-L119 VanDerWaalsContact O-N 3.1Å
117D98.9Very high98.8Very high17 Ų1731.5 Ų31.59%0.09115%0.154CC..THydrogen-bonded Turntrans-59.2-21174.6-58.8-23.2000113.8R81 R87 L115 R151 L152 Q153R81-D117 IonicContact CZ-OD1 3.25Å; R81-D117 IonicContact NH1-OD1 2.69Å; R81-D117 IonicContact NH2-OD1 2.93Å; R81-D117 PolarHBondContact NH2-OD1 3.13Å; R87-D117 IonicContact CZ-OD1 2.68Å; R87-D117 IonicContact CZ-OD2 3.63Å; R87-D117 VanDerWaalsContact CZ-OD2 3.28Å; R87-D117 VanDerWaalsContact NH1-CG 3.3Å; R87-D117 IonicContact NH1-OD1 3.62Å; R87-D117 PolarHBondContact NH1-OD1 3.07Å; R87-D117 IonicContact NH1-OD2 3.35Å; R87-D117 PolarHBondContact NH1-OD2 3.25Å; R87-D117 IonicContact NH2-OD1 3.56Å; R87-D117 IonicContact NH2-OD2 2.68Å; R87-D117 PolarHBondContact NH2-OD2 2.77Å; L115-D117 PolarHBondContact O-N 2.8Å; D117-R151 VanDerWaalsContact O-O 3.09Å; D117-L152 WeakPolarHBondContact O-CD2 3.48Å; D117-Q153 VanDerWaalsContact OD1-O 3.13Å
118Y98.9Very high98.8Very high64 Ų6431.9 Ų31.925%0.25115%0.153SC..THydrogen-bonded Turntrans-91.9-14-179.1-69.9-104.8000113.3K2 D114 L115 F116 R151 L152K2-Y118 HydrophobicContact CB-CD1 4.2Å; K2-Y118 HydrophobicContact CB-CD2 4.47Å; K2-Y118 HydrophobicContact CB-CE1 4.29Å; K2-Y118 HydrophobicContact CB-CG 4.29Å; K2-Y118 HydrophobicContact CD-CD2 4.05Å; K2-Y118 HydrophobicContact CD-CE2 3.79Å; K2-Y118 HydrophobicContact CG-CD2 4.03Å; K2-Y118 HydrophobicContact CG-CE2 4.24Å; K2-Y118 HydrophobicContact CG-CG 4.25Å; D114-Y118 WeakPolarHBondContact O-CD2 3.35Å; D114-Y118 WeakPolarHBondContact O-CE2 3.4Å; L115-Y118 WeakPolarHBondContact O-CB 3.32Å; L115-Y118 PolarHBondContact O-N 2.77Å; F116-Y118 PolarHBondContact O-N 2.8Å; F116-Y118 VanDerWaalsContact O-N 3.08Å; Y118-R151 PolarHBondContact O-NE 2.94Å; Y118-R151 PolarHBondContact O-NH2 3.47Å; Y118-L152 HydrophobicContact CD1-CD2 3.71Å; Y118-L152 HydrophobicContact CD2-CD2 4.37Å; Y118-L152 HydrophobicContact CE1-CD2 3.98Å; Y118-L152 HydrophobicContact CG-CD2 3.92Å
119L98.9Very high98.8Very high3 Ų330.8 Ų30.82%0.01615%0.147CC..SBendtrans-62.4130.7-177.3-68.7170.6000110.5L5 Y52 I79 R81 E85 F116 R151L5-L119 HydrophobicContact CD1-CD2 3.87Å; L5-L119 HydrophobicContact CD2-CD2 4.48Å; Y52-L119 HydrophobicContact CE2-CD1 4.32Å; I79-L119 HydrophobicContact CB-CD2 4.36Å; I79-L119 HydrophobicContact CD1-CD2 3.77Å; I79-L119 HydrophobicContact CG1-CD2 3.82Å; I79-L119 WeakPolarHBondContact O-CD2 3.46Å; R81-L119 HydrophobicContact CB-CB 3.71Å; R81-L119 HydrophobicContact CB-CD1 4.36Å; R81-L119 HydrophobicContact CG-CB 4.11Å; R81-L119 HydrophobicContact CG-CD1 4.21Å; E85-L119 HydrophobicContact CB-CD1 4.04Å; E85-L119 HydrophobicContact CG-CD1 3.84Å; F116-L119 HydrophobicContact CB-CD1 4.33Å; F116-L119 HydrophobicContact CD1-CD1 3.95Å; F116-L119 HydrophobicContact CG-CD1 4.47Å; F116-L119 WeakPolarHBondContact O-CB 3.42Å; F116-L119 PolarHBondContact O-N 3.15Å; F116-L119 VanDerWaalsContact O-N 3.1Å; L119-R151 WeakPolarHBondContact O-CD 3.42Å; L119-R151 PolarHBondContact O-NE 2.85Å
120P98.9Very high98.8Very high0 Ų029.3 Ų29.30%014%0.141CC..  trans-52.5145.3171.9-28.236.2000112.2E8 S9 Q12 L80 R81E8-P120 HydrophobicContact CB-CG 3.85Å; E8-P120 WeakPolarHBondContact OE2-CG 3.33Å; S9-P120 WeakPolarHBondContact O-CB 3.39Å; Q12-P120 HydrophobicContact CB-CB 4.18Å; Q12-P120 HydrophobicContact CB-CG 4.41Å; L80-P120 CarbonylContact C-O 3.58Å; L80-P120 WeakPolarHBondContact CA-O 3.07Å; L80-P120 HydrophobicContact CD2-CB 3.9Å; R81-P120 PolarHBondContact N-O 2.75Å
121L98.9Very high98.8Very high0 Ų024.3 Ų24.30%012%0.119CC..SBendtrans-79.4-38.9-179.9-61179.8000111.3N10 L149 R151 M161 L164N10-L121 PolarHBondContact O-N 2.86Å; L121-L149 HydrophobicContact CD1-CB 4.48Å; L121-L149 HydrophobicContact CD1-CD1 3.93Å; L121-R151 HydrophobicContact CD1-CB 4Å; L121-R151 HydrophobicContact CD2-CB 4.2Å; L121-R151 HydrophobicContact CG-CB 3.98Å; L121-M161 HydrophobicContact CD1-CG 4.18Å; L121-M161 HydrophobicContact CD2-CE 4.12Å; L121-M161 HydrophobicContact CD2-CG 4.11Å; L121-L164 HydrophobicContact CB-CD1 4.44Å; L121-L164 HydrophobicContact CD1-CD1 4.24Å
122T98.9Very high98.8Very high0 Ų017.4 Ų17.40%09%0.092CC..EExtended strand (participates in β ladder)trans-144.4168.5-174.472.30000110.9N10 V11 Q12 F130 C131 L132 I146 L164N10-T122 CarbonylContact O-C 3.52Å; N10-T122 PolarHBondContact O-N 3.31Å; N10-T122 VanDerWaalsContact O-O 3.06Å; N10-T122 PolarHBondContact O-OG1 2.9Å; N10-T122 VanDerWaalsContact O-OG1 3.04Å; V11-T122 WeakPolarHBondContact CA-OG1 3.24Å; Q12-T122 PolarHBondContact N-O 2.96Å; T122-F130 HydrophobicContact CG2-CE2 3.89Å; T122-F130 HydrophobicContact CG2-CZ 3.73Å; T122-F130 WeakPolarHBondContact OG1-CE2 3.22Å; T122-C131 CarbonylContact C-O 3.51Å; T122-C131 VanDerWaalsContact CA-O 3.26Å; T122-C131 WeakPolarHBondContact CA-O 3.41Å; T122-C131 WeakPolarHBondContact CB-O 3.49Å; T122-L132 HydrophobicContact CG2-CB 3.76Å; T122-I146 HydrophobicContact CG2-CD1 4.33Å; T122-I146 HydrophobicContact CG2-CG2 4.14Å; T122-L164 HydrophobicContact CG2-CD1 4.3Å; T122-L164 HydrophobicContact CG2-CD2 4.14Å
123A98.9Very high98.8Very high0 Ų016.2 Ų16.20%09%0.087CC..EExtended strand (participates in β ladder)trans-135.6156.4171.800000111.2Q12 V14 L47 L80 C131Q12-A123 HydrophobicContact CB-CB 4.37Å; Q12-A123 CarbonylContact O-C 3.45Å; Q12-A123 WeakPolarHBondContact O-CA 3.4Å; Q12-A123 VanDerWaalsContact O-CB 3.27Å; Q12-A123 WeakPolarHBondContact O-CB 3.41Å; V14-A123 HydrophobicContact CG2-CB 4.08Å; L47-A123 HydrophobicContact CD1-CB 3.79Å; L47-A123 HydrophobicContact CG-CB 4.44Å; L80-A123 HydrophobicContact CD1-CB 4.19Å; L80-A123 HydrophobicContact CD2-CB 4.04Å; A123-C131 HydrophobicContact CB-CB 4.24Å; A123-C131 PolarHBondContact N-O 2.76Å; A123-C131 PolarHBondContact O-N 3.28Å
124L98.9Very high98.8Very high9 Ų916.1 Ų16.15%0.0479%0.087CC..EExtended strand (participates in β ladder)trans-125.5110.9175.5-174.165000108.4V11 Q12 V14 F130 L143 L200V11-L124 HydrophobicContact CG1-CB 3.85Å; Q12-L124 PolarHBondContact O-N 3.04Å; V14-L124 PolarHBondContact N-O 3.21Å; L124-F130 HydrophobicContact CD1-CB 4.48Å; L124-L143 HydrophobicContact CD1-CD1 4.21Å; L124-L143 HydrophobicContact CD2-CD1 3.83Å; L124-L200 HydrophobicContact CD1-CD2 3.54Å
125V98.9Very high98.8Very high0 Ų014.4 Ų14.40%08%0.077CC..EExtended strand (participates in β ladder)trans-89.3118.5179.5-171.10000109.3V14 C16 V18 L47 G127 Q128 I129 L244 L248V14-V125 HydrophobicContact CB-CG2 4.17Å; V14-V125 HydrophobicContact CG1-CG2 4.32Å; V14-V125 VanDerWaalsContact O-CA 3.31Å; V14-V125 WeakPolarHBondContact O-CA 3.1Å; C16-V125 VanDerWaalsContact SG-CG1 3.51Å; V18-V125 HydrophobicContact CG1-CG1 3.76Å; V18-V125 HydrophobicContact CG1-CG2 4.29Å; L47-V125 HydrophobicContact CD1-CG2 3.73Å; V125-G127 PolarHBondContact O-N 3.25Å; V125-Q128 PolarHBondContact O-N 3.02Å; V125-I129 HydrophobicContact CB-CB 4.24Å; V125-I129 PolarHBondContact N-O 3.03Å; V125-I129 PolarHBondContact O-N 3.11Å; V125-I129 VanDerWaalsContact O-N 3.13Å; V125-L244 HydrophobicContact CB-CD1 4.29Å; V125-L244 HydrophobicContact CG1-CD1 3.86Å; V125-L244 HydrophobicContact CG2-CD1 4.36Å; V125-L248 HydrophobicContact CG1-CD1 4.13Å
126D98.3Very high98.8Very high70 Ų7014 Ų1437%0.3748%0.075SC..THydrogen-bonded Turntrans46.234-178.7-79.6-3.3000114.2V14 R15 C16 Q128 L248V14-D126 PolarHBondContact O-N 2.98Å; R15-D126 WeakPolarHBondContact CA-OD1 3.41Å; C16-D126 WeakPolarHBondContact CB-OD2 3.45Å; C16-D126 PolarHBondContact N-OD1 3.02Å; D126-Q128 PolarHBondContact O-N 3.27Å; D126-L248 HydrophobicContact CB-CD1 3.98Å
127G98.3Very high98.8Very high33 Ų3314 Ų1434%0.348%0.075SC..THydrogen-bonded Turntrans72.30.8178.400000115.6V125V125-G127 PolarHBondContact O-N 3.25Å
128Q98.3Very high98.8Very high90 Ų9015.4 Ų15.442%0.4219%0.085SC..THydrogen-bonded Turntrans-125.7-33.9-167.7-72.4-170.715.900114.6V125 D126 L200 T201 L248V125-Q128 PolarHBondContact O-N 3.02Å; D126-Q128 PolarHBondContact O-N 3.27Å; Q128-L200 CarbonylContact O-C 3.57Å; Q128-L200 WeakPolarHBondContact O-CA 3.43Å; Q128-T201 HydrophobicContact CB-CG2 4.15Å; Q128-T201 HydrophobicContact CG-CG2 4.37Å; Q128-T201 PolarHBondContact O-N 3.36Å; Q128-T201 PolarHBondContact O-OG1 3.09Å; Q128-L248 HydrophobicContact CB-CD2 3.62Å; Q128-L248 HydrophobicContact CG-CD2 4.22Å; Q128-L248 VanDerWaalsContact OE1-CD2 3.27Å
129I98.9Very high98.8Very high2 Ų215.6 Ų15.61%0.0110%0.096CC..EExtended strand (participates in β ladder)trans-106114.6178.9-56.7179.8000108.9V125 L202 M242 L244 L248V125-I129 HydrophobicContact CB-CB 4.24Å; V125-I129 PolarHBondContact N-O 3.03Å; V125-I129 PolarHBondContact O-N 3.11Å; V125-I129 VanDerWaalsContact O-N 3.13Å; I129-L202 WeakPolarHBondContact CA-O 3.19Å; I129-L202 HydrophobicContact CD1-CD2 4.35Å; I129-L202 HydrophobicContact CG1-CB 4.2Å; I129-L202 HydrophobicContact CG2-CB 4.19Å; I129-L202 HydrophobicContact CG2-CD2 4.05Å; I129-L202 HydrophobicContact CG2-CG 4.16Å; I129-M242 HydrophobicContact CD1-CE 4.5Å; I129-L244 HydrophobicContact CD1-CD1 3.74Å; I129-L244 HydrophobicContact CD1-CD2 3.47Å; I129-L244 VanDerWaalsContact CD1-CD2 3.47Å; I129-L244 HydrophobicContact CD1-CG 4.28Å; I129-L248 HydrophobicContact CD1-CD1 3.96Å; I129-L248 HydrophobicContact CD1-CD2 4.32Å; I129-L248 HydrophobicContact CD1-CG 3.89Å; I129-L248 HydrophobicContact CG1-CD1 4.39Å; I129-L248 HydrophobicContact CG1-CD2 4.25Å; I129-L248 HydrophobicContact CG1-CG 4.34Å
130F98.9Very high98.8Very high0 Ų015.8 Ų15.80%010%0.097CC..EExtended strand (participates in β ladder)trans-90.7116.2179178.3-120.3000110.3T122 L124 L132 L136 L143 I146 F194 L200 L202 V203 S204T122-F130 HydrophobicContact CG2-CE2 3.89Å; T122-F130 HydrophobicContact CG2-CZ 3.73Å; T122-F130 WeakPolarHBondContact OG1-CE2 3.22Å; L124-F130 HydrophobicContact CD1-CB 4.48Å; F130-L132 HydrophobicContact CD1-CD2 3.99Å; F130-L132 HydrophobicContact CE1-CD1 3.74Å; F130-L132 HydrophobicContact CE1-CD2 3.84Å; F130-L132 HydrophobicContact CE1-CG 4.28Å; F130-L132 HydrophobicContact CZ-CD1 4.11Å; F130-L136 HydrophobicContact CE1-CD2 4.22Å; F130-L143 HydrophobicContact CD2-CD2 3.62Å; F130-L143 HydrophobicContact CE2-CD2 3.56Å; F130-L143 HydrophobicContact CG-CD2 4.31Å; F130-L143 HydrophobicContact CZ-CD2 4.22Å; F130-I146 HydrophobicContact CE2-CD1 3.82Å; F130-I146 HydrophobicContact CZ-CD1 3.44Å; F130-I146 VanDerWaalsContact CZ-CD1 3.44Å; F130-F194 AromaticContact CD1-CE1 3.82Å; F130-F194 HydrophobicContact CD1-CE1 3.82Å; F130-F194 HydrophobicContact CD1-CZ 4.46Å; F130-F194 AromaticContact CE1-CE1 3.89Å; F130-F194 HydrophobicContact CE1-CE1 3.89Å; F130-F194 HydrophobicContact CE1-CZ 4.12Å; F130-F194 HydrophobicContact CG-CE1 4.45Å; F130-F194 HydrophobicContact CZ-CZ 4.47Å; F130-L200 HydrophobicContact CB-CD1 3.61Å; F130-L200 HydrophobicContact CB-CD2 4.11Å; F130-L200 HydrophobicContact CB-CG 4.42Å; F130-L200 HydrophobicContact CD1-CD1 4.49Å; F130-L200 HydrophobicContact CG-CD1 4.16Å; F130-L202 PolarHBondContact N-O 2.66Å; F130-V203 HydrophobicContact CD1-CG1 4.29Å; F130-V203 HydrophobicContact CD1-CG2 4.33Å; F130-V203 CarbonylContact O-C 3.48Å; F130-V203 WeakPolarHBondContact O-CA 3.47Å; F130-S204 PolarHBondContact O-N 3.24Å
131C98.9Very high98.7Very high0 Ų020.9 Ų20.90%013%0.125CC..EExtended strand (participates in β ladder)trans-107.8131.8-176.8-630000111.2L47 M49 L80 T122 A123 S204L47-C131 HydrophobicContact CD1-CB 3.98Å; L47-C131 HydrophobicContact CD2-CB 4.06Å; M49-C131 HydrophobicContact SD-CB 4.41Å; L80-C131 HydrophobicContact CD1-CB 4.38Å; T122-C131 CarbonylContact C-O 3.51Å; T122-C131 VanDerWaalsContact CA-O 3.26Å; T122-C131 WeakPolarHBondContact CA-O 3.41Å; T122-C131 WeakPolarHBondContact CB-O 3.49Å; A123-C131 HydrophobicContact CB-CB 4.24Å; A123-C131 PolarHBondContact N-O 2.76Å; A123-C131 PolarHBondContact O-N 3.28Å; C131-S204 VanDerWaalsContact CA-O 3.28Å; C131-S204 WeakPolarHBondContact CA-O 3.3Å
132L98.9Very high98.7Very high0 Ų023 Ų230%014%0.138CC..EExtended strand (participates in β ladder)trans-156.4165.6176.572.3175.6000110.8T122 F130 G135 L164 V203 S204 R205T122-L132 HydrophobicContact CG2-CB 3.76Å; F130-L132 HydrophobicContact CD1-CD2 3.99Å; F130-L132 HydrophobicContact CE1-CD1 3.74Å; F130-L132 HydrophobicContact CE1-CD2 3.84Å; F130-L132 HydrophobicContact CE1-CG 4.28Å; F130-L132 HydrophobicContact CZ-CD1 4.11Å; L132-G135 VanDerWaalsContact CD1-O 3.22Å; L132-G135 WeakPolarHBondContact CD1-O 3.49Å; L132-L164 HydrophobicContact CD1-CD2 3.68Å; L132-V203 HydrophobicContact CD2-CG1 3.48Å; L132-V203 VanDerWaalsContact CD2-CG1 3.48Å; L132-S204 PolarHBondContact N-O 2.88Å; L132-S204 VanDerWaalsContact N-O 3.14Å; L132-R205 HydrophobicContact CD2-CB 4Å; L132-R205 WeakPolarHBondContact O-CA 3.26Å
133H98.9Very high98.7Very high0 Ų023.6 Ų23.60%014%0.141CC..SBendtrans-72.4-63.3178.3-170.957.7000112.7D23 M49 D51 R81 G82 N83 L165 R205 A206 H207D23-H133 IonicContact OD1-CE1 3.91Å; D23-H133 PolarHBondContact OD1-CE1 3.28Å; D23-H133 IonicContact OD2-CE1 3.81Å; M49-H133 WeakPolarHBondContact O-CA 3.17Å; M49-H133 WeakPolarHBondContact O-CB 3.5Å; M49-H133 PolarHBondContact O-ND1 3.25Å; D51-H133 IonicContact OD1-CD2 3.54Å; D51-H133 IonicContact OD1-CE1 2.7Å; D51-H133 IonicContact OD1-NE2 2.83Å; D51-H133 PolarHBondContact OD1-NE2 2.84Å; D51-H133 VanDerWaalsContact OD1-NE2 3.15Å; D51-H133 IonicContact OD2-CE1 3.73Å; D51-H133 PolarHBondContact OD2-CE1 3.09Å; D51-H133 IonicContact OD2-NE2 2.86Å; D51-H133 PolarHBondContact OD2-NE2 2.67Å; R81-H133 WeakPolarHBondContact O-CB 3.3Å; G82-H133 VanDerWaalsContact CA-CD2 3.45Å; G82-H133 WeakPolarHBondContact CA-CD2 3.5Å; G82-H133 VanDerWaalsContact CA-CG 3.47Å; N83-H133 PolarHBondContact N-CD2 2.75Å; N83-H133 VanDerWaalsContact N-CD2 3.26Å; N83-H133 PolarHBondContact OD1-CD2 2.92Å; N83-H133 VanDerWaalsContact OD1-CD2 3.26Å; N83-H133 PolarHBondContact OD1-NE2 2.69Å; H133-L165 HydrophobicContact CB-CD2 4.15Å; H133-L165 PolarHBondContact CD2-O 3Å; H133-R205 PolarHBondContact O-NE 3.48Å; H133-R205 PolarHBondContact O-NH2 3.43Å; H133-A206 CarbonylContact O-C 3.59Å; H133-A206 PolarHBondContact O-N 3.2Å; H133-H207 AromaticContact CD2-ND1 3.89Å; H133-H207 AromaticContact NE2-CG 3.87Å; H133-H207 AromaticContact NE2-ND1 3.44Å; H133-H207 PolarHBondContact NE2-ND1 3.37Å
134G98.9Very high98.7Very high0 Ų028.4 Ų28.40%017%0.166CC..SBendtrans-77.1-115.6-176.500000111L164 S167 R205G134-L164 WeakPolarHBondContact CA-O 3.38Å; G134-L164 PolarHBondContact N-O 3.01Å; G134-S167 CarbonylContact C-O 3.59Å; G134-R205 WeakPolarHBondContact O-CB 3.11Å; G134-R205 PolarHBondContact O-NE 3.03Å; G134-R205 PolarHBondContact O-NH2 3.5Å
135G98.7Very high98.7Very high0 Ų031.9 Ų31.90%018%0.182CC..  trans-160.4-160.3-176.600000111.9L132 L164 S167L132-G135 VanDerWaalsContact CD1-O 3.22Å; L132-G135 WeakPolarHBondContact CD1-O 3.49Å; G135-L164 PolarHBondContact N-O 3.47Å; G135-L164 WeakPolarHBondContact O-CA 3.44Å; G135-S167 PolarHBondContact N-O 3.49Å
136L98.9Very high98.7Very high3 Ų331.9 Ų31.92%0.01618%0.182CC..  trans-72.8161.5-175.2-54.9-178.9000111.5F130 S167 W175 F186 I190 F194 V203F130-L136 HydrophobicContact CE1-CD2 4.22Å; L136-S167 WeakPolarHBondContact O-CB 3.32Å; L136-S167 PolarHBondContact O-OG 2.95Å; L136-W175 HydrophobicContact CB-CH2 3.64Å; L136-W175 HydrophobicContact CB-CZ3 4.25Å; L136-W175 WeakPolarHBondContact O-CZ3 3.26Å; L136-F186 HydrophobicContact CB-CD1 4.42Å; L136-F186 HydrophobicContact CB-CD2 4.39Å; L136-F186 HydrophobicContact CB-CG 4.32Å; L136-F186 HydrophobicContact CD1-CD2 4Å; L136-F186 HydrophobicContact CD1-CE2 4.05Å; L136-F186 HydrophobicContact CG-CD2 4.2Å; L136-F186 HydrophobicContact CG-CE2 4.03Å; L136-F186 HydrophobicContact CG-CZ 4.29Å; L136-I190 HydrophobicContact CD1-CG2 3.98Å; L136-F194 HydrophobicContact CD1-CB 3.76Å; L136-F194 HydrophobicContact CD1-CD1 4.33Å; L136-F194 HydrophobicContact CD1-CG 4.01Å; L136-F194 HydrophobicContact CD2-CD1 3.71Å; L136-F194 HydrophobicContact CD2-CD2 4.26Å; L136-F194 HydrophobicContact CD2-CE1 3.86Å; L136-F194 HydrophobicContact CD2-CE2 4.4Å; L136-F194 HydrophobicContact CD2-CG 3.92Å; L136-F194 HydrophobicContact CD2-CZ 4.21Å; L136-V203 HydrophobicContact CD2-CG2 4.46Å
137S98.8Very high98.7Very high2 Ų233.1 Ų33.11%0.01418%0.182CC..  trans-121.5138.9175.7175.60000110.5S139 I140 D163 W175S137-S139 PolarHBondContact O-N 2.84Å; S137-S139 VanDerWaalsContact O-N 3.12Å; S137-S139 PolarHBondContact OG-N 2.89Å; S137-I140 PolarHBondContact O-N 2.82Å; S137-I140 VanDerWaalsContact O-N 3.1Å; S137-D163 VanDerWaalsContact CB-CB 3.46Å; S137-D163 WeakPolarHBondContact CB-OD2 3.42Å; S137-D163 PolarHBondContact OG-OD2 3.39Å; S137-W175 WeakPolarHBondContact O-CH2 3.15Å
138P98.6Very high98.7Very high47 Ų4735.6 Ų35.631%0.30520%0.199SC..THydrogen-bonded Turntrans-65.9-9.417128.5-35000113W175 Y184P138-W175 VanDerWaalsContact CA-CZ2 3.47Å; P138-W175 HydrophobicContact CB-CD2 3.91Å; P138-W175 HydrophobicContact CB-CE3 4.37Å; P138-W175 HydrophobicContact CB-CG 4.26Å; P138-W175 HydrophobicContact CB-CH2 4.49Å; P138-W175 HydrophobicContact CB-CZ2 4.02Å; P138-W175 HydrophobicContact CG-CD2 4.41Å; P138-W175 HydrophobicContact CG-CE3 4.44Å; P138-W175 VanDerWaalsContact N-CH2 3.28Å; P138-Y184 HydrophobicContact CG-CD1 4.38Å; P138-Y184 HydrophobicContact CG-CD2 3.77Å; P138-Y184 HydrophobicContact CG-CE1 4.25Å; P138-Y184 HydrophobicContact CG-CE2 3.61Å; P138-Y184 HydrophobicContact CG-CG 4.16Å
139S98.4Very high98.8Very high69 Ų6933 Ų3348%0.48319%0.188SC..THydrogen-bonded Turntrans-961.3176.5-550000113.1S137S137-S139 PolarHBondContact O-N 2.84Å; S137-S139 VanDerWaalsContact O-N 3.12Å; S137-S139 PolarHBondContact OG-N 2.89Å
140I98.7Very high98.7Very high6 Ų637.9 Ų37.93%0.03121%0.214CC..  trans-130.3101.3-173.5-61.3170.5000109.8S137 T142 H145 I146 L149 P160 L164 F194S137-I140 PolarHBondContact O-N 2.82Å; S137-I140 VanDerWaalsContact O-N 3.1Å; I140-T142 WeakPolarHBondContact CG2-O 3.41Å; I140-H145 HydrophobicContact CG2-CB 4.17Å; I140-I146 HydrophobicContact CD1-CG1 4.05Å; I140-I146 HydrophobicContact CG2-CD1 3.94Å; I140-I146 HydrophobicContact CG2-CG1 3.48Å; I140-I146 VanDerWaalsContact CG2-CG1 3.48Å; I140-L149 HydrophobicContact CD1-CD1 4.49Å; I140-P160 HydrophobicContact CD1-CB 3.53Å; I140-P160 HydrophobicContact CG1-CB 3.75Å; I140-L164 HydrophobicContact CD1-CD1 3.7Å; I140-L164 HydrophobicContact CD1-CD2 3.95Å; I140-L164 HydrophobicContact CD1-CG 3.71Å; I140-F194 HydrophobicContact CG2-CE2 4.16Å
141D98.3Very high98.7Very high108 Ų10838.6 Ų38.658%0.57822%0.217SC*.SBendtrans-88.9-29.9173-54.1-48.4000112.7H145 N198D141-H145 PolarHBondContact N-ND1 2.95Å; D141-H145 IonicContact OD2-CE1 3.94Å; D141-N198 PolarHBondContact O-ND2 3.47Å
142T98.8Very high98.7Very high45 Ų4542.4 Ų42.428%0.27624%0.237SC..SBendtrans-130.7154.7-173.568.90000113.1I140 D144 H145 N198I140-T142 WeakPolarHBondContact CG2-O 3.41Å; T142-D144 PolarHBondContact O-N 2.71Å; T142-H145 WeakPolarHBondContact O-CB 3.42Å; T142-H145 PolarHBondContact O-N 2.81Å; T142-H145 VanDerWaalsContact O-N 3.09Å; T142-H145 PolarHBondContact OG1-CD2 2.84Å; T142-H145 VanDerWaalsContact OG1-CD2 3.26Å; T142-H145 PolarHBondContact OG1-N 2.82Å; T142-N198 VanDerWaalsContact CA-OD1 3.22Å; T142-N198 WeakPolarHBondContact CA-OD1 3.16Å
143L98.8Very high98.7Very high11 Ų1146.5 Ų46.56%0.05826%0.256CS..Hα-helixtrans-58-28.8172.4-62.6179.5000112.6L124 F130 H145 I146 R147 F194 N198 L200L124-L143 HydrophobicContact CD1-CD1 4.21Å; L124-L143 HydrophobicContact CD2-CD1 3.83Å; F130-L143 HydrophobicContact CD2-CD2 3.62Å; F130-L143 HydrophobicContact CE2-CD2 3.56Å; F130-L143 HydrophobicContact CG-CD2 4.31Å; F130-L143 HydrophobicContact CZ-CD2 4.22Å; L143-H145 VanDerWaalsContact C-N 3.33Å; L143-H145 PolarHBondContact O-N 3.48Å; L143-I146 HydrophobicContact CD2-CD1 4.27Å; L143-I146 WeakPolarHBondContact O-CB 3.39Å; L143-I146 PolarHBondContact O-N 3.21Å; L143-R147 WeakPolarHBondContact O-CG 3.22Å; L143-R147 PolarHBondContact O-N 3.43Å; L143-R147 VanDerWaalsContact O-N 3.09Å; L143-F194 HydrophobicContact CD2-CE1 4.5Å; L143-F194 HydrophobicContact CD2-CZ 4.17Å; L143-N198 HydrophobicContact CD1-CB 4.47Å; L143-N198 HydrophobicContact CG-CB 4.22Å; L143-N198 PolarHBondContact N-OD1 3.48Å; L143-L200 HydrophobicContact CD1-CD2 4.41Å
144D98.8Very high98.7Very high101 Ų10148.4 Ų48.454%0.5427%0.265SS..Hα-helixtrans-67.1-32.7176.9-74.8-29.4000112.8T142 I146 R147 A148T142-D144 PolarHBondContact O-N 2.71Å; D144-I146 PolarHBondContact O-N 3.33Å; D144-R147 PolarHBondContact O-N 3.35Å; D144-R147 IonicContact OD1-CZ 2.63Å; D144-R147 IonicContact OD1-NH1 3.73Å; D144-R147 PolarHBondContact OD1-NH1 3.4Å; D144-A148 PolarHBondContact O-N 3.13Å; D144-A148 VanDerWaalsContact O-N 3.11Å
145H98.8Very high98.6Very high82 Ų8248.9 Ų48.938%0.3827%0.268SS..Hα-helixtrans-61.3-36.9172.9-63.2176.2000111I140 D141 T142 L143 A148I140-H145 HydrophobicContact CG2-CB 4.17Å; D141-H145 PolarHBondContact N-ND1 2.95Å; D141-H145 IonicContact OD2-CE1 3.94Å; T142-H145 WeakPolarHBondContact O-CB 3.42Å; T142-H145 PolarHBondContact O-N 2.81Å; T142-H145 VanDerWaalsContact O-N 3.09Å; T142-H145 PolarHBondContact OG1-CD2 2.84Å; T142-H145 VanDerWaalsContact OG1-CD2 3.26Å; T142-H145 PolarHBondContact OG1-N 2.82Å; L143-H145 VanDerWaalsContact C-N 3.33Å; L143-H145 PolarHBondContact O-N 3.48Å; H145-A148 PolarHBondContact O-N 3.47Å
146I98.9Very high98.6Very high0 Ų050.9 Ų50.90%028%0.28CS..Hα-helixtrans-68.9-44176.6-51.1178.9000110.7N10 V11 T122 F130 I140 L143 D144 A148 L149 L164N10-I146 HydrophobicContact CB-CG2 4.13Å; N10-I146 VanDerWaalsContact CB-O 3.31Å; N10-I146 WeakPolarHBondContact CB-O 3.17Å; N10-I146 PolarHBondContact ND2-O 3.36Å; V11-I146 HydrophobicContact CG2-CB 3.69Å; V11-I146 HydrophobicContact CG2-CG2 3.7Å; T122-I146 HydrophobicContact CG2-CD1 4.33Å; T122-I146 HydrophobicContact CG2-CG2 4.14Å; F130-I146 HydrophobicContact CE2-CD1 3.82Å; F130-I146 HydrophobicContact CZ-CD1 3.44Å; F130-I146 VanDerWaalsContact CZ-CD1 3.44Å; I140-I146 HydrophobicContact CD1-CG1 4.05Å; I140-I146 HydrophobicContact CG2-CD1 3.94Å; I140-I146 HydrophobicContact CG2-CG1 3.48Å; I140-I146 VanDerWaalsContact CG2-CG1 3.48Å; L143-I146 HydrophobicContact CD2-CD1 4.27Å; L143-I146 WeakPolarHBondContact O-CB 3.39Å; L143-I146 PolarHBondContact O-N 3.21Å; D144-I146 PolarHBondContact O-N 3.33Å; I146-A148 PolarHBondContact O-N 3.25Å; I146-L149 PolarHBondContact O-N 2.96Å; I146-L149 VanDerWaalsContact O-N 3.16Å; I146-L164 HydrophobicContact CD1-CD2 4.14Å; I146-L164 HydrophobicContact CG1-CD1 4.36Å; I146-L164 HydrophobicContact CG2-CD1 3.94Å
147R98.7Very high98.5Very high96 Ų9657.2 Ų57.236%0.36231%0.31SS..Hα-helixtrans-57.9-30.5177-67.5179.1-176.6116.41.9112.5V11 E13 L143 D144V11-R147 HydrophobicContact CB-CG 4.01Å; V11-R147 HydrophobicContact CG2-CG 3.68Å; E13-R147 IonicContact OE1-NH2 2.85Å; E13-R147 PolarHBondContact OE1-NH2 3.18Å; L143-R147 WeakPolarHBondContact O-CG 3.22Å; L143-R147 PolarHBondContact O-N 3.43Å; L143-R147 VanDerWaalsContact O-N 3.09Å; D144-R147 PolarHBondContact O-N 3.35Å; D144-R147 IonicContact OD1-CZ 2.63Å; D144-R147 IonicContact OD1-NH1 3.73Å; D144-R147 PolarHBondContact OD1-NH1 3.4Å
148A98.6Very high98.4Very high85 Ų8565 Ų6570%0.70235%0.346SS*.THydrogen-bonded Turntrans-81.8-11.5-178.900000115D144 H145 I146D144-A148 PolarHBondContact O-N 3.13Å; D144-A148 VanDerWaalsContact O-N 3.11Å; H145-A148 PolarHBondContact O-N 3.47Å; I146-A148 PolarHBondContact O-N 3.25Å
149L98.7Very high98.4Very high37 Ų3763.9 Ų63.919%0.19434%0.343CS..SBendtrans-66.1141.9-179.5-61.2176.9000111.8N10 L121 I140 I146 R151 P160 L164N10-L149 PolarHBondContact ND2-O 2.91Å; L121-L149 HydrophobicContact CD1-CB 4.48Å; L121-L149 HydrophobicContact CD1-CD1 3.93Å; I140-L149 HydrophobicContact CD1-CD1 4.49Å; I146-L149 PolarHBondContact O-N 2.96Å; I146-L149 VanDerWaalsContact O-N 3.16Å; L149-R151 PolarHBondContact O-N 3.47Å; L149-P160 HydrophobicContact CD1-CB 4.21Å; L149-P160 HydrophobicContact CD2-CB 4.04Å; L149-P160 HydrophobicContact CD2-CG 3.61Å; L149-L164 HydrophobicContact CD1-CD1 3.95Å
150D98.5Very high98.4Very high104 Ų10462.4 Ų62.456%0.55633%0.332SS*.  trans-83.699.9164.7-177.16000109.1L152 Q153D150-L152 PolarHBondContact OD1-N 3.05Å; D150-L152 VanDerWaalsContact OD1-N 3.12Å; D150-Q153 PolarHBondContact O-NE2 2.6Å
151R98.6Very high98.4Very high15 Ų1562.5 Ų62.56%0.05733%0.332CS..  trans-82.1-13.7-179.576.1166.1-175-93.94.5114.3L5 E8 S9 N10 D117 Y118 L119 L121 L149 Q153L5-R151 PolarHBondContact O-NH2 3.01Å; E8-R151 VanDerWaalsContact O-CZ 3.3Å; E8-R151 PolarHBondContact O-NH1 3.06Å; E8-R151 PolarHBondContact O-NH2 2.99Å; S9-R151 VanDerWaalsContact C-NH1 3.34Å; N10-R151 WeakPolarHBondContact OD1-CD 3.45Å; N10-R151 VanDerWaalsContact OD1-CG 3.26Å; N10-R151 WeakPolarHBondContact OD1-CG 3.42Å; N10-R151 PolarHBondContact OD1-NH1 2.88Å; D117-R151 VanDerWaalsContact O-O 3.09Å; Y118-R151 PolarHBondContact O-NE 2.94Å; Y118-R151 PolarHBondContact O-NH2 3.47Å; L119-R151 WeakPolarHBondContact O-CD 3.42Å; L119-R151 PolarHBondContact O-NE 2.85Å; L121-R151 HydrophobicContact CD1-CB 4Å; L121-R151 HydrophobicContact CD2-CB 4.2Å; L121-R151 HydrophobicContact CG-CB 3.98Å; L149-R151 PolarHBondContact O-N 3.47Å; R151-Q153 PolarHBondContact O-N 2.8Å
152L98.6Very high98.4Very high80 Ų8057.4 Ų57.442%0.41931%0.305SS..SBendtrans-7953-169.3-62.8-177.5000112.2D117 Y118 D150D117-L152 WeakPolarHBondContact O-CD2 3.48Å; Y118-L152 HydrophobicContact CD1-CD2 3.71Å; Y118-L152 HydrophobicContact CD2-CD2 4.37Å; Y118-L152 HydrophobicContact CE1-CD2 3.98Å; Y118-L152 HydrophobicContact CG-CD2 3.92Å; D150-L152 PolarHBondContact OD1-N 3.05Å; D150-L152 VanDerWaalsContact OD1-N 3.12Å
153Q98.6Very high98.4Very high85 Ų8555.5 Ų55.540%0.39729%0.293SS..SBendtrans-150.1167.9-177.858.9-175.6-55.500110.4R81 D117 D150 R151 M161R81-Q153 PolarHBondContact NH1-O 2.99Å; D117-Q153 VanDerWaalsContact OD1-O 3.13Å; D150-Q153 PolarHBondContact O-NE2 2.6Å; R151-Q153 PolarHBondContact O-N 2.8Å; Q153-M161 HydrophobicContact CG-SD 4.17Å
154E98.6Very high98.4Very high41 Ų4155 Ų5519%0.19229%0.291CS..PPolyproline II helixtrans-59.9145.9166.3-179.260-157.200110S86 R87 P156S86-E154 WeakPolarHBondContact CA-OE1 3.42Å; S86-E154 VanDerWaalsContact CB-OE1 3.32Å; S86-E154 WeakPolarHBondContact CB-OE1 3.49Å; S86-E154 PolarHBondContact OG-OE1 3.42Å; R87-E154 WeakPolarHBondContact CB-OE2 3.18Å; R87-E154 WeakPolarHBondContact CD-OE2 3.31Å; R87-E154 VanDerWaalsContact CG-OE2 3.23Å; R87-E154 WeakPolarHBondContact CG-OE2 3.39Å; R87-E154 IonicContact CZ-OE2 3.8Å; R87-E154 PolarHBondContact N-OE1 3.11Å; R87-E154 PolarHBondContact N-OE2 3.26Å; R87-E154 VanDerWaalsContact N-OE2 3.16Å; R87-E154 IonicContact NE-OE2 3.94Å; R87-E154 IonicContact NH1-OE2 2.96Å; R87-E154 PolarHBondContact NH1-OE2 3.26Å; E154-P156 VanDerWaalsContact O-CD 3.24Å; E154-P156 WeakPolarHBondContact O-CD 3.42Å
155V98.5Very high98.4Very high10 Ų1050.2 Ų50.26%0.06127%0.265CS..PPolyproline II helixtrans-58.1120.4176.9-1760000109.5M161 L165V155-M161 HydrophobicContact CG2-CE 4.16Å; V155-L165 HydrophobicContact CB-CD1 4.49Å; V155-L165 HydrophobicContact CG1-CD1 3.94Å; V155-L165 HydrophobicContact CG2-CD1 3.65Å
156P98.3Very high98.4Very high41 Ų4148.3 Ų48.327%0.26625%0.254SS..PPolyproline II helixtrans-65.2161175.9-21.934.6000111.9E154 E158 C162E154-P156 VanDerWaalsContact O-CD 3.24Å; E154-P156 WeakPolarHBondContact O-CD 3.42Å; P156-E158 VanDerWaalsContact C-N 3.29Å; P156-E158 WeakPolarHBondContact CB-O 3.29Å; P156-E158 PolarHBondContact O-N 3.02Å; P156-C162 WeakPolarHBondContact O-CB 3.4Å
157H95.4Very high98.4Very high137 Ų13748.3 Ų48.363%0.63425%0.254SS*.SBendtrans-73.1-21.2175.7-66.9-75.5000113.6Q88 C162Q88-H157 PolarHBondContact NE2-CE1 3.26Å; Q88-H157 VanDerWaalsContact NE2-CE1 3.34Å; Q88-H157 PolarHBondContact NE2-NE2 3.46Å; Q88-H157 VanDerWaalsContact NE2-NE2 3.17Å; Q88-H157 PolarHBondContact OE1-CE1 2.68Å; Q88-H157 PolarHBondContact OE1-NE2 2.89Å; H157-C162 PolarHBondContact O-SG 2.88Å
158E97.4Very high98.4Very high164 Ų16444 Ų4477%0.76624%0.239SC*.SBendtrans-148.8168.2-178.563.8-179.1-170.600111.2P156P156-E158 VanDerWaalsContact C-N 3.29Å; P156-E158 WeakPolarHBondContact CB-O 3.29Å; P156-E158 PolarHBondContact O-N 3.02Å
159G98.4Very high98.4Very high25 Ų2540.6 Ų40.626%0.25821%0.21SC..SBendtrans92.6-178.7177.300000113.8M161 C162 D163G159-M161 VanDerWaalsContact C-N 3.33Å; G159-M161 PolarHBondContact O-N 2.85Å; G159-M161 VanDerWaalsContact O-N 3.17Å; G159-C162 WeakPolarHBondContact O-CA 3.41Å; G159-C162 VanDerWaalsContact O-CB 3.3Å; G159-C162 WeakPolarHBondContact O-CB 3.14Å; G159-C162 PolarHBondContact O-N 3.13Å; G159-D163 VanDerWaalsContact O-CG 3.25Å; G159-D163 PolarHBondContact O-N 3.31Å
160P98.6Very high98.4Very high38 Ų3840.4 Ų40.425%0.24721%0.209CC..Hα-helixtrans-59.8-37.4-163.620.8-33.9000114.2I140 L149 L164I140-P160 HydrophobicContact CD1-CB 3.53Å; I140-P160 HydrophobicContact CG1-CB 3.75Å; L149-P160 HydrophobicContact CD1-CB 4.21Å; L149-P160 HydrophobicContact CD2-CB 4.04Å; L149-P160 HydrophobicContact CD2-CG 3.61Å; P160-L164 VanDerWaalsContact O-CG 3.24Å; P160-L164 WeakPolarHBondContact O-CG 3.17Å; P160-L164 PolarHBondContact O-N 2.91Å; P160-L164 VanDerWaalsContact O-N 3.09Å
161M98.8Very high98.3Very high8 Ų843.1 Ų43.14%0.03922%0.223CC..Hα-helixtrans-69.2-35.8176.6-179176.3171.900112.4L121 Q153 V155 G159 L165L121-M161 HydrophobicContact CD1-CG 4.18Å; L121-M161 HydrophobicContact CD2-CE 4.12Å; L121-M161 HydrophobicContact CD2-CG 4.11Å; Q153-M161 HydrophobicContact CG-SD 4.17Å; V155-M161 HydrophobicContact CG2-CE 4.16Å; G159-M161 VanDerWaalsContact C-N 3.33Å; G159-M161 PolarHBondContact O-N 2.85Å; G159-M161 VanDerWaalsContact O-N 3.17Å; M161-L165 WeakPolarHBondContact O-CG 3.32Å
162C98.8Very high98.2Very high1 Ų149.7 Ų49.71%0.00725%0.248CC..Hα-helixtrans-65.1-50.8174.4-179.10000109.8P156 H157 G159 L164 L165 W166P156-C162 WeakPolarHBondContact O-CB 3.4Å; H157-C162 PolarHBondContact O-SG 2.88Å; G159-C162 WeakPolarHBondContact O-CA 3.41Å; G159-C162 VanDerWaalsContact O-CB 3.3Å; G159-C162 WeakPolarHBondContact O-CB 3.14Å; G159-C162 PolarHBondContact O-N 3.13Å; C162-L164 PolarHBondContact O-N 3.44Å; C162-L165 CarbonylContact O-C 3.52Å; C162-L165 PolarHBondContact O-N 2.81Å; C162-W166 WeakPolarHBondContact O-CB 3.5Å; C162-W166 VanDerWaalsContact O-CD1 3.31Å; C162-W166 PolarHBondContact O-N 3.43Å
163D98.8Very high98.2Very high4 Ų448.9 Ų48.92%0.02126%0.259CS..Hα-helixtrans-58.5-43.8-177.1-59.1-21.6000112.5S137 G159 L165 W166 S167 Y184S137-D163 VanDerWaalsContact CB-CB 3.46Å; S137-D163 WeakPolarHBondContact CB-OD2 3.42Å; S137-D163 PolarHBondContact OG-OD2 3.39Å; G159-D163 VanDerWaalsContact O-CG 3.25Å; G159-D163 PolarHBondContact O-N 3.31Å; D163-L165 PolarHBondContact O-N 3.26Å; D163-W166 PolarHBondContact O-N 3.26Å; D163-S167 VanDerWaalsContact O-CB 3.24Å; D163-S167 WeakPolarHBondContact O-CB 3.19Å; D163-S167 PolarHBondContact O-N 2.9Å; D163-S167 PolarHBondContact O-OG 3.15Å; D163-S167 VanDerWaalsContact O-OG 3.12Å; D163-Y184 WeakPolarHBondContact OD1-CD2 3.4Å; D163-Y184 WeakPolarHBondContact OD1-CE2 3.4Å
164L98.9Very high98.2Very high2 Ų245.7 Ų45.71%0.0125%0.249CC..Hα-helixtrans-57.4-23.7176.7-74.4172.7000113.6L121 T122 L132 G134 G135 I140 I146 L149 P160 C162L121-L164 HydrophobicContact CB-CD1 4.44Å; L121-L164 HydrophobicContact CD1-CD1 4.24Å; T122-L164 HydrophobicContact CG2-CD1 4.3Å; T122-L164 HydrophobicContact CG2-CD2 4.14Å; L132-L164 HydrophobicContact CD1-CD2 3.68Å; G134-L164 WeakPolarHBondContact CA-O 3.38Å; G134-L164 PolarHBondContact N-O 3.01Å; G135-L164 PolarHBondContact N-O 3.47Å; G135-L164 WeakPolarHBondContact O-CA 3.44Å; I140-L164 HydrophobicContact CD1-CD1 3.7Å; I140-L164 HydrophobicContact CD1-CD2 3.95Å; I140-L164 HydrophobicContact CD1-CG 3.71Å; I146-L164 HydrophobicContact CD1-CD2 4.14Å; I146-L164 HydrophobicContact CG1-CD1 4.36Å; I146-L164 HydrophobicContact CG2-CD1 3.94Å; L149-L164 HydrophobicContact CD1-CD1 3.95Å; P160-L164 VanDerWaalsContact O-CG 3.24Å; P160-L164 WeakPolarHBondContact O-CG 3.17Å; P160-L164 PolarHBondContact O-N 2.91Å; P160-L164 VanDerWaalsContact O-N 3.09Å; C162-L164 PolarHBondContact O-N 3.44Å
165L98.9Very high98.2Very high0 Ų048.4 Ų48.40%026%0.257CS..Hα-helixtrans-105-17.8-178.2-57-177000113.3R81 N83 H133 V155 M161 C162 D163R81-L165 HydrophobicContact CB-CD2 4.42Å; R81-L165 HydrophobicContact CG-CD1 4.4Å; R81-L165 WeakPolarHBondContact O-CD2 3.49Å; N83-L165 HydrophobicContact CB-CB 4.18Å; H133-L165 HydrophobicContact CB-CD2 4.15Å; H133-L165 PolarHBondContact CD2-O 3Å; V155-L165 HydrophobicContact CB-CD1 4.49Å; V155-L165 HydrophobicContact CG1-CD1 3.94Å; V155-L165 HydrophobicContact CG2-CD1 3.65Å; M161-L165 WeakPolarHBondContact O-CG 3.32Å; C162-L165 CarbonylContact O-C 3.52Å; C162-L165 PolarHBondContact O-N 2.81Å; D163-L165 PolarHBondContact O-N 3.26Å
166W98.8Very high98.2Very high41 Ų4148.8 Ų48.816%0.15526%0.263CS..Hα-helixtrans-123.5-17.6-170.6-76.595.3000115.8N83 I89 C162 D163 R180 A182 H207N83-W166 HydrophobicContact CB-CD2 4Å; N83-W166 HydrophobicContact CB-CG 4.33Å; N83-W166 HydrophobicContact CB-CZ2 3.83Å; N83-W166 VanDerWaalsContact ND2-CH2 3.31Å; N83-W166 WeakPolarHBondContact ND2-CH2 3.15Å; N83-W166 WeakPolarHBondContact ND2-CZ2 3.26Å; I89-W166 HydrophobicContact CD1-CH2 3.97Å; I89-W166 HydrophobicContact CD1-CZ2 3.76Å; I89-W166 HydrophobicContact CG1-CZ2 4.09Å; C162-W166 WeakPolarHBondContact O-CB 3.5Å; C162-W166 VanDerWaalsContact O-CD1 3.31Å; C162-W166 PolarHBondContact O-N 3.43Å; D163-W166 PolarHBondContact O-N 3.26Å; W166-R180 HydrophobicContact CE3-CB 4.23Å; W166-R180 HydrophobicContact CZ3-CB 4.32Å; W166-A182 HydrophobicContact CB-CB 4.19Å; W166-A182 HydrophobicContact CD2-CB 3.81Å; W166-A182 HydrophobicContact CE3-CB 4.11Å; W166-A182 HydrophobicContact CG-CB 3.85Å; W166-H207 AromaticContact CE3-CE1 3.95Å
167S98.9Very high98.1Very high0 Ų053.8 Ų53.80%029%0.287CS..  trans-70.8153-176.5-69.20000112.8G134 G135 L136 D163 Y184 R205G134-S167 CarbonylContact C-O 3.59Å; G135-S167 PolarHBondContact N-O 3.49Å; L136-S167 WeakPolarHBondContact O-CB 3.32Å; L136-S167 PolarHBondContact O-OG 2.95Å; D163-S167 VanDerWaalsContact O-CB 3.24Å; D163-S167 WeakPolarHBondContact O-CB 3.19Å; D163-S167 PolarHBondContact O-N 2.9Å; D163-S167 PolarHBondContact O-OG 3.15Å; D163-S167 VanDerWaalsContact O-OG 3.12Å; S167-Y184 CarbonylContact C-O 3.43Å; S167-Y184 WeakPolarHBondContact CA-O 3.45Å; S167-Y184 WeakPolarHBondContact CB-O 3.19Å; S167-Y184 PolarHBondContact OG-N 2.93Å; S167-Y184 PolarHBondContact OG-O 3.15Å; S167-R205 PolarHBondContact O-NH2 2.93Å
168D98.8Very high98.2Very high5 Ų547.5 Ų47.53%0.02726%0.258CS..EExtended strand (participates in β ladder)trans-131.1142-176.2-81.3-33.6000112.7R180 Y184 T185 F186 R205 H207 Q208D168-R180 IonicContact OD1-NH2 3.85Å; D168-R180 IonicContact OD2-CZ 3.93Å; D168-R180 VanDerWaalsContact OD2-CZ 3.25Å; D168-R180 IonicContact OD2-NE 2.83Å; D168-R180 PolarHBondContact OD2-NE 3.35Å; D168-R180 IonicContact OD2-NH2 3.48Å; D168-R180 PolarHBondContact OD2-NH2 3.12Å; D168-Y184 PolarHBondContact N-O 2.88Å; D168-T185 CarbonylContact O-C 3.5Å; D168-T185 WeakPolarHBondContact O-CA 3.09Å; D168-F186 VanDerWaalsContact C-CD1 3.49Å; D168-F186 WeakPolarHBondContact O-CD1 3.44Å; D168-F186 WeakPolarHBondContact O-CE1 3.48Å; D168-F186 PolarHBondContact O-N 2.84Å; D168-R205 IonicContact OD1-CZ 2.68Å; D168-R205 IonicContact OD1-NH1 2.66Å; D168-R205 PolarHBondContact OD1-NH1 2.92Å; D168-R205 IonicContact OD1-NH2 3.94Å; D168-R205 PolarHBondContact OD1-NH2 2.91Å; D168-H207 IonicContact OD1-CD2 2.86Å; D168-H207 PolarHBondContact OD1-CD2 3.39Å; D168-Q208 WeakPolarHBondContact OD1-CG 3.14Å; D168-Q208 PolarHBondContact OD1-NE2 2.83Å; D168-Q208 PolarHBondContact OD1-OE1 2.68Å; D168-Q208 PolarHBondContact OD2-NE2 3.48Å
169P98.7Very high98.1Very high15 Ų1545.1 Ų45.110%0.09726%0.257CS..EExtended strand (participates in β ladder)trans-65.6151.7168.229-35.2000111.4F186 H218P169-F186 WeakPolarHBondContact CA-O 3.4Å; P169-F186 HydrophobicContact CB-CE1 4.41Å; P169-F186 HydrophobicContact CB-CE2 4.12Å; P169-F186 HydrophobicContact CB-CZ 3.93Å; P169-F186 HydrophobicContact CG-CZ 4.47Å; P169-F186 VanDerWaalsContact N-CE1 3.32Å; P169-H218 WeakPolarHBondContact CB-CE1 3.48Å
170D98Very high97.9Very high32 Ų3249 Ų4917%0.17126%0.264CS..  trans-149.7147.3-176-172.4-9.5000110.8R172 T185 F186 G187 H218D170-R172 PolarHBondContact O-N 3.03Å; D170-R172 PolarHBondContact OD1-N 3.04Å; D170-R172 IonicContact OD1-NE 2.82Å; D170-R172 PolarHBondContact OD1-NE 2.97Å; D170-R172 IonicContact OD2-CZ 3.7Å; D170-R172 IonicContact OD2-NE 3.55Å; D170-R172 PolarHBondContact OD2-NE 3.06Å; D170-R172 IonicContact OD2-NH2 3.75Å; D170-R172 PolarHBondContact OD2-NH2 3.29Å; D170-T185 HydrophobicContact CB-CG2 4.31Å; D170-T185 WeakPolarHBondContact OD2-CB 3.17Å; D170-T185 PolarHBondContact OD2-OG1 3.19Å; D170-F186 PolarHBondContact N-O 3.03Å; D170-G187 WeakPolarHBondContact O-CA 3.13Å; D170-H218 PolarHBondContact N-NE2 3.2Å; D170-H218 PolarHBondContact O-NE2 2.8Å; D170-H218 VanDerWaalsContact O-NE2 3.13Å
171D96.4Very high97.8Very high162 Ų16250.7 Ų50.787%0.86629%0.288SS*.SBendtrans-68.6-18.8179.1-65.8-31.2000112
172R96.8Very high97.7Very high153 Ų15351.2 Ų51.258%0.57729%0.294SS*.SBendtrans-76.8133.2175.9-62.7179-67173.22.5110.3D170 G187D170-R172 PolarHBondContact O-N 3.03Å; D170-R172 PolarHBondContact OD1-N 3.04Å; D170-R172 IonicContact OD1-NE 2.82Å; D170-R172 PolarHBondContact OD1-NE 2.97Å; D170-R172 IonicContact OD2-CZ 3.7Å; D170-R172 IonicContact OD2-NE 3.55Å; D170-R172 PolarHBondContact OD2-NE 3.06Å; D170-R172 IonicContact OD2-NH2 3.75Å; D170-R172 PolarHBondContact OD2-NH2 3.29Å; R172-G187 WeakPolarHBondContact O-CA 3.42Å
173G97.9Very high97.6Very high62 Ų6251.8 Ų51.864%0.63930%0.3SS*.SBendtrans-67.1153.317600000113.7D189G173-D189 VanDerWaalsContact CA-OD1 3.27Å; G173-D189 WeakPolarHBondContact CA-OD1 3.3Å
174G98.5Very high97.6Very high19 Ų1955.8 Ų55.820%0.19632%0.315CS..SBendtrans73.8-155-179.300000113.7F186 G187 D189G174-F186 CarbonylContact O-C 3.17Å; G174-F186 WeakPolarHBondContact O-CA 3.21Å; G174-G187 PolarHBondContact O-N 3.2Å; G174-D189 PolarHBondContact N-OD1 3.38Å; G174-D189 PolarHBondContact N-OD2 2.82Å
175W98.7Very high97.6Very high97 Ų9756 Ų5637%0.36732%0.317SS..EExtended strand (participates in β ladder)trans-98.6138.7177.2-62.499.8000111.5L136 S137 P138 Y184 T185 F186 I190L136-W175 HydrophobicContact CB-CH2 3.64Å; L136-W175 HydrophobicContact CB-CZ3 4.25Å; L136-W175 WeakPolarHBondContact O-CZ3 3.26Å; S137-W175 WeakPolarHBondContact O-CH2 3.15Å; P138-W175 VanDerWaalsContact CA-CZ2 3.47Å; P138-W175 HydrophobicContact CB-CD2 3.91Å; P138-W175 HydrophobicContact CB-CE3 4.37Å; P138-W175 HydrophobicContact CB-CG 4.26Å; P138-W175 HydrophobicContact CB-CH2 4.49Å; P138-W175 HydrophobicContact CB-CZ2 4.02Å; P138-W175 HydrophobicContact CG-CD2 4.41Å; P138-W175 HydrophobicContact CG-CE3 4.44Å; P138-W175 VanDerWaalsContact N-CH2 3.28Å; W175-Y184 HydrophobicContact CE3-CG 4.32Å; W175-T185 CarbonylContact C-O 3.57Å; W175-T185 WeakPolarHBondContact CA-O 3.24Å; W175-F186 HydrophobicContact CE3-CB 3.75Å; W175-F186 HydrophobicContact CH2-CB 4.19Å; W175-F186 HydrophobicContact CZ3-CB 3.58Å; W175-F186 HydrophobicContact CZ3-CG 4.35Å; W175-I190 HydrophobicContact CD2-CG1 4.41Å; W175-I190 HydrophobicContact CD2-CG2 4.49Å; W175-I190 HydrophobicContact CH2-CG2 3.65Å; W175-I190 HydrophobicContact CZ2-CG2 3.32Å; W175-I190 HydrophobicContact CZ3-CG2 4.37Å
176G98.3Very high97.6Very high18 Ų1856 Ų5619%0.18632%0.317CS..EExtended strand (participates in β ladder)trans-126162.9171.500000112.3Y184 T185G176-Y184 CarbonylContact O-C 3.58Å; G176-Y184 VanDerWaalsContact O-CA 3.29Å; G176-Y184 WeakPolarHBondContact O-CA 3.29Å; G176-Y184 WeakPolarHBondContact O-CB 3.36Å; G176-Y184 WeakPolarHBondContact O-CD1 3.15Å; G176-T185 VanDerWaalsContact CA-OG1 3.29Å; G176-T185 WeakPolarHBondContact CA-OG1 3.44Å; G176-T185 PolarHBondContact N-O 2.87Å; G176-T185 PolarHBondContact N-OG1 2.92Å; G176-T185 PolarHBondContact O-N 3.31Å
177I97.2Very high97.6Very high147 Ų14754.1 Ų54.175%0.75431%0.31SS*.EExtended strand (participates in β ladder)trans-76.1130174.2-61.5174.9000108.6
178S97.2Very high97.6Very high4 Ų457.7 Ų57.73%0.02833%0.326CS..  trans-64.5132177.7176.30000111.6R180 G181 A182 G183S178-R180 PolarHBondContact O-N 3.09Å; S178-R180 VanDerWaalsContact O-N 3.16Å; S178-R180 WeakPolarHBondContact OG-CB 3.26Å; S178-R180 PolarHBondContact OG-N 2.98Å; S178-G181 PolarHBondContact O-N 2.93Å; S178-A182 WeakPolarHBondContact CB-O 3.44Å; S178-A182 PolarHBondContact OG-O 3.34Å; S178-G183 WeakPolarHBondContact CB-O 3.27Å; S178-G183 PolarHBondContact N-O 2.87Å
179P95.4Very high97.6Very high115 Ų11560.7 Ų60.775%0.74734%0.342SS*.THydrogen-bonded Turntrans-68.3-9.8174.130.8-35.5000112.7G181P179-G181 VanDerWaalsContact C-N 3.26Å; P179-G181 PolarHBondContact O-N 3.03Å
180R94.3Very high97.6Very high106 Ų10661.2 Ų61.240%0.434%0.344SS..THydrogen-bonded Turntrans-76.8-13177.1-56.1-177.4-176.1-10213.2113.3W166 D168 S178 A182 H207W166-R180 HydrophobicContact CE3-CB 4.23Å; W166-R180 HydrophobicContact CZ3-CB 4.32Å; D168-R180 IonicContact OD1-NH2 3.85Å; D168-R180 IonicContact OD2-CZ 3.93Å; D168-R180 VanDerWaalsContact OD2-CZ 3.25Å; D168-R180 IonicContact OD2-NE 2.83Å; D168-R180 PolarHBondContact OD2-NE 3.35Å; D168-R180 IonicContact OD2-NH2 3.48Å; D168-R180 PolarHBondContact OD2-NH2 3.12Å; S178-R180 PolarHBondContact O-N 3.09Å; S178-R180 VanDerWaalsContact O-N 3.16Å; S178-R180 WeakPolarHBondContact OG-CB 3.26Å; S178-R180 PolarHBondContact OG-N 2.98Å; R180-A182 VanDerWaalsContact C-N 3.31Å; R180-H207 WeakPolarHBondContact CD-NE2 3.37Å; R180-H207 PolarHBondContact NE-NE2 2.87Å
181G95Very high97.7Very high74 Ų7459.7 Ų59.776%0.76334%0.336SS*.SBendtrans82.34.8-174.800000114.7S178 P179S178-G181 PolarHBondContact O-N 2.93Å; P179-G181 VanDerWaalsContact C-N 3.26Å; P179-G181 PolarHBondContact O-N 3.03Å
182A97.1Very high97.8Very high19 Ų1955.7 Ų55.716%0.15731%0.312CS..SBendtrans-148.2147.117400000109.7W166 S178 R180W166-A182 HydrophobicContact CB-CB 4.19Å; W166-A182 HydrophobicContact CD2-CB 3.81Å; W166-A182 HydrophobicContact CE3-CB 4.11Å; W166-A182 HydrophobicContact CG-CB 3.85Å; S178-A182 WeakPolarHBondContact CB-O 3.44Å; S178-A182 PolarHBondContact OG-O 3.34Å; R180-A182 VanDerWaalsContact C-N 3.31Å
183G98.1Very high97.9Very high13 Ų1353 Ų5313%0.13431%0.313CS..SBendtrans71.7-168.6-174.300000114.3S178S178-G183 WeakPolarHBondContact CB-O 3.27Å; S178-G183 PolarHBondContact N-O 2.87Å
184Y98.7Very high97.9Very high87 Ų8750.7 Ų50.734%0.34129%0.285SS..EExtended strand (participates in β ladder)trans-125.9160.9-178.5-67.5-94.6000111.5P138 D163 S167 D168 W175 G176P138-Y184 HydrophobicContact CG-CD1 4.38Å; P138-Y184 HydrophobicContact CG-CD2 3.77Å; P138-Y184 HydrophobicContact CG-CE1 4.25Å; P138-Y184 HydrophobicContact CG-CE2 3.61Å; P138-Y184 HydrophobicContact CG-CG 4.16Å; D163-Y184 WeakPolarHBondContact OD1-CD2 3.4Å; D163-Y184 WeakPolarHBondContact OD1-CE2 3.4Å; S167-Y184 CarbonylContact C-O 3.43Å; S167-Y184 WeakPolarHBondContact CA-O 3.45Å; S167-Y184 WeakPolarHBondContact CB-O 3.19Å; S167-Y184 PolarHBondContact OG-N 2.93Å; S167-Y184 PolarHBondContact OG-O 3.15Å; D168-Y184 PolarHBondContact N-O 2.88Å; W175-Y184 HydrophobicContact CE3-CG 4.32Å; G176-Y184 CarbonylContact O-C 3.58Å; G176-Y184 VanDerWaalsContact O-CA 3.29Å; G176-Y184 WeakPolarHBondContact O-CA 3.29Å; G176-Y184 WeakPolarHBondContact O-CB 3.36Å; G176-Y184 WeakPolarHBondContact O-CD1 3.15Å
185T98.8Very high98Very high8 Ų850 Ų505%0.04928%0.277CS..EExtended strand (participates in β ladder)trans-89.6148156.268.70000110.3D168 D170 W175 G176D168-T185 CarbonylContact O-C 3.5Å; D168-T185 WeakPolarHBondContact O-CA 3.09Å; D170-T185 HydrophobicContact CB-CG2 4.31Å; D170-T185 WeakPolarHBondContact OD2-CB 3.17Å; D170-T185 PolarHBondContact OD2-OG1 3.19Å; W175-T185 CarbonylContact C-O 3.57Å; W175-T185 WeakPolarHBondContact CA-O 3.24Å; G176-T185 VanDerWaalsContact CA-OG1 3.29Å; G176-T185 WeakPolarHBondContact CA-OG1 3.44Å; G176-T185 PolarHBondContact N-O 2.87Å; G176-T185 PolarHBondContact N-OG1 2.92Å; G176-T185 PolarHBondContact O-N 3.31Å
186F98.9Very high98Very high0 Ų053.3 Ų53.30%030%0.296CS..EExtended strand (participates in β ladder)trans-136.1136.2178.863.1-84.8000112L136 D168 P169 D170 G174 W175 I190 S191 H218 V222L136-F186 HydrophobicContact CB-CD1 4.42Å; L136-F186 HydrophobicContact CB-CD2 4.39Å; L136-F186 HydrophobicContact CB-CG 4.32Å; L136-F186 HydrophobicContact CD1-CD2 4Å; L136-F186 HydrophobicContact CD1-CE2 4.05Å; L136-F186 HydrophobicContact CG-CD2 4.2Å; L136-F186 HydrophobicContact CG-CE2 4.03Å; L136-F186 HydrophobicContact CG-CZ 4.29Å; D168-F186 VanDerWaalsContact C-CD1 3.49Å; D168-F186 WeakPolarHBondContact O-CD1 3.44Å; D168-F186 WeakPolarHBondContact O-CE1 3.48Å; D168-F186 PolarHBondContact O-N 2.84Å; P169-F186 WeakPolarHBondContact CA-O 3.4Å; P169-F186 HydrophobicContact CB-CE1 4.41Å; P169-F186 HydrophobicContact CB-CE2 4.12Å; P169-F186 HydrophobicContact CB-CZ 3.93Å; P169-F186 HydrophobicContact CG-CZ 4.47Å; P169-F186 VanDerWaalsContact N-CE1 3.32Å; D170-F186 PolarHBondContact N-O 3.03Å; G174-F186 CarbonylContact O-C 3.17Å; G174-F186 WeakPolarHBondContact O-CA 3.21Å; W175-F186 HydrophobicContact CE3-CB 3.75Å; W175-F186 HydrophobicContact CH2-CB 4.19Å; W175-F186 HydrophobicContact CZ3-CB 3.58Å; W175-F186 HydrophobicContact CZ3-CG 4.35Å; F186-I190 HydrophobicContact CB-CB 4.17Å; F186-I190 HydrophobicContact CB-CG1 4.41Å; F186-I190 HydrophobicContact CB-CG2 4Å; F186-S191 WeakPolarHBondContact CD2-OG 3.49Å; F186-S191 WeakPolarHBondContact CE2-OG 3.22Å; F186-H218 PolarHBondContact O-CE1 2.88Å; F186-V222 HydrophobicContact CE2-CG2 4.2Å
187G98.8Very high98Very high0 Ų055.7 Ų55.70%031%0.314CS..  trans-82.2177-179.800000115D170 R172 G174 D189 I190 S191 H218D170-G187 WeakPolarHBondContact O-CA 3.13Å; R172-G187 WeakPolarHBondContact O-CA 3.42Å; G174-G187 PolarHBondContact O-N 3.2Å; G187-D189 VanDerWaalsContact C-N 3.33Å; G187-D189 PolarHBondContact O-N 2.86Å; G187-I190 WeakPolarHBondContact O-CB 3.47Å; G187-I190 PolarHBondContact O-N 2.86Å; G187-S191 PolarHBondContact O-N 3.17Å; G187-S191 PolarHBondContact O-OG 3.23Å; G187-H218 VanDerWaalsContact C-CE1 3.48Å
188Q98.8Very high98.1Very high76 Ų7650 Ų5036%0.35529%0.285SS..Hα-helixtrans-58.6-42175.2174169.6-30.200112.6I190 S191 E192 H218Q188-I190 VanDerWaalsContact C-N 3.25Å; Q188-I190 PolarHBondContact O-N 2.99Å; Q188-S191 WeakPolarHBondContact O-CB 3.42Å; Q188-S191 PolarHBondContact O-N 2.6Å; Q188-E192 HydrophobicContact CG-CG 4.22Å; Q188-E192 VanDerWaalsContact CG-OE1 3.32Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.16Å; Q188-E192 PolarHBondContact NE2-OE1 3.14Å; Q188-E192 WeakPolarHBondContact O-CG 3.48Å; Q188-E192 PolarHBondContact O-N 2.83Å; Q188-H218 HydrophobicContact CB-CB 3.8Å; Q188-H218 HydrophobicContact CG-CB 3.87Å
189D98.8Very high98.1Very high68 Ų6852.5 Ų52.536%0.36431%0.311SS..Hα-helixtrans-59.1-36.317958.8-60.4000112.5G173 G174 G187 T193G173-D189 VanDerWaalsContact CA-OD1 3.27Å; G173-D189 WeakPolarHBondContact CA-OD1 3.3Å; G174-D189 PolarHBondContact N-OD1 3.38Å; G174-D189 PolarHBondContact N-OD2 2.82Å; G187-D189 VanDerWaalsContact C-N 3.33Å; G187-D189 PolarHBondContact O-N 2.86Å; D189-T193 VanDerWaalsContact O-CB 3.32Å; D189-T193 WeakPolarHBondContact O-CB 3.36Å; D189-T193 PolarHBondContact O-N 2.93Å; D189-T193 PolarHBondContact O-OG1 3.27Å
190I98.9Very high98.3Very high26 Ų2647.7 Ų47.713%0.13328%0.279CS..Hα-helixtrans-68.2-43.8175.2-58.8-51000110.7L136 W175 F186 G187 Q188 T193 F194L136-I190 HydrophobicContact CD1-CG2 3.98Å; W175-I190 HydrophobicContact CD2-CG1 4.41Å; W175-I190 HydrophobicContact CD2-CG2 4.49Å; W175-I190 HydrophobicContact CH2-CG2 3.65Å; W175-I190 HydrophobicContact CZ2-CG2 3.32Å; W175-I190 HydrophobicContact CZ3-CG2 4.37Å; F186-I190 HydrophobicContact CB-CB 4.17Å; F186-I190 HydrophobicContact CB-CG1 4.41Å; F186-I190 HydrophobicContact CB-CG2 4Å; G187-I190 WeakPolarHBondContact O-CB 3.47Å; G187-I190 PolarHBondContact O-N 2.86Å; Q188-I190 VanDerWaalsContact C-N 3.25Å; Q188-I190 PolarHBondContact O-N 2.99Å; I190-T193 PolarHBondContact O-N 3.43Å; I190-F194 WeakPolarHBondContact O-CB 3.3Å; I190-F194 PolarHBondContact O-N 2.94Å
191S98.9Very high98.5Very high0 Ų046.2 Ų46.20%028%0.282CS..Hα-helixtrans-65.7-44.1-178.7-53.60000111.7F186 G187 Q188 F194 N195 H218 V222F186-S191 WeakPolarHBondContact CD2-OG 3.49Å; F186-S191 WeakPolarHBondContact CE2-OG 3.22Å; G187-S191 PolarHBondContact O-N 3.17Å; G187-S191 PolarHBondContact O-OG 3.23Å; Q188-S191 WeakPolarHBondContact O-CB 3.42Å; Q188-S191 PolarHBondContact O-N 2.6Å; S191-F194 PolarHBondContact O-N 3.07Å; S191-N195 VanDerWaalsContact O-CB 3.31Å; S191-N195 WeakPolarHBondContact O-CB 3.38Å; S191-N195 VanDerWaalsContact O-CG 3.31Å; S191-N195 PolarHBondContact O-N 3.36Å; S191-H218 PolarHBondContact OG-ND1 3.3Å; S191-V222 WeakPolarHBondContact OG-CG2 3.35Å
192E98.8Very high98.7Very high78 Ų7842.9 Ų42.936%0.36425%0.247SC..Hα-helixtrans-61-46.6175.1-72.9173.1179.600111.5Q188 F194 N195 H196 N221Q188-E192 HydrophobicContact CG-CG 4.22Å; Q188-E192 VanDerWaalsContact CG-OE1 3.32Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.16Å; Q188-E192 PolarHBondContact NE2-OE1 3.14Å; Q188-E192 WeakPolarHBondContact O-CG 3.48Å; Q188-E192 PolarHBondContact O-N 2.83Å; E192-F194 PolarHBondContact O-N 2.7Å; E192-N195 PolarHBondContact O-N 3.13Å; E192-H196 VanDerWaalsContact O-CB 3.23Å; E192-H196 WeakPolarHBondContact O-CB 3.27Å; E192-H196 PolarHBondContact O-N 2.99Å; E192-N221 WeakPolarHBondContact CG-ND2 3.31Å
193T98.9Very high98.8Very high96 Ų9642 Ų4259%0.58924%0.239SC*.Hα-helixtrans-60.3-48.1179-61.40000111.1D189 I190 A197D189-T193 VanDerWaalsContact O-CB 3.32Å; D189-T193 WeakPolarHBondContact O-CB 3.36Å; D189-T193 PolarHBondContact O-N 2.93Å; D189-T193 PolarHBondContact O-OG1 3.27Å; I190-T193 PolarHBondContact O-N 3.43Å; T193-A197 VanDerWaalsContact O-CB 3.24Å; T193-A197 WeakPolarHBondContact O-CB 3.46Å; T193-A197 PolarHBondContact O-N 3.37Å
194F98.9Very high98.8Very high14 Ų1441.4 Ų41.46%0.06123%0.233CC..Hα-helixtrans-64.3-46.8180-174.2-92.5000111.8F130 L136 I140 L143 I190 S191 E192 A197 N198 L200F130-F194 AromaticContact CD1-CE1 3.82Å; F130-F194 HydrophobicContact CD1-CE1 3.82Å; F130-F194 HydrophobicContact CD1-CZ 4.46Å; F130-F194 AromaticContact CE1-CE1 3.89Å; F130-F194 HydrophobicContact CE1-CE1 3.89Å; F130-F194 HydrophobicContact CE1-CZ 4.12Å; F130-F194 HydrophobicContact CG-CE1 4.45Å; F130-F194 HydrophobicContact CZ-CZ 4.47Å; L136-F194 HydrophobicContact CD1-CB 3.76Å; L136-F194 HydrophobicContact CD1-CD1 4.33Å; L136-F194 HydrophobicContact CD1-CG 4.01Å; L136-F194 HydrophobicContact CD2-CD1 3.71Å; L136-F194 HydrophobicContact CD2-CD2 4.26Å; L136-F194 HydrophobicContact CD2-CE1 3.86Å; L136-F194 HydrophobicContact CD2-CE2 4.4Å; L136-F194 HydrophobicContact CD2-CG 3.92Å; L136-F194 HydrophobicContact CD2-CZ 4.21Å; I140-F194 HydrophobicContact CG2-CE2 4.16Å; L143-F194 HydrophobicContact CD2-CE1 4.5Å; L143-F194 HydrophobicContact CD2-CZ 4.17Å; I190-F194 WeakPolarHBondContact O-CB 3.3Å; I190-F194 PolarHBondContact O-N 2.94Å; S191-F194 PolarHBondContact O-N 3.07Å; E192-F194 PolarHBondContact O-N 2.7Å; F194-A197 PolarHBondContact O-N 2.87Å; F194-N198 WeakPolarHBondContact O-CB 3.11Å; F194-N198 PolarHBondContact O-N 3.5Å; F194-N198 VanDerWaalsContact O-N 3.11Å; F194-N198 PolarHBondContact O-ND2 3.14Å; F194-L200 HydrophobicContact CD1-CD1 3.88Å; F194-L200 HydrophobicContact CE1-CD1 3.6Å
195N98.9Very high98.8Very high3 Ų337.2 Ų37.22%0.01622%0.216CC..Hα-helixtrans-61.6-48.1179.3-77.9-10.6000111.4S191 E192 A197 N198 G199 L200 V203 N221S191-N195 VanDerWaalsContact O-CB 3.31Å; S191-N195 WeakPolarHBondContact O-CB 3.38Å; S191-N195 VanDerWaalsContact O-CG 3.31Å; S191-N195 PolarHBondContact O-N 3.36Å; E192-N195 PolarHBondContact O-N 3.13Å; N195-A197 PolarHBondContact O-N 3.24Å; N195-N198 CarbonylContact O-C 3.55Å; N195-N198 PolarHBondContact O-N 3.05Å; N195-G199 PolarHBondContact O-N 3.09Å; N195-L200 HydrophobicContact CB-CB 4.14Å; N195-L200 PolarHBondContact O-N 2.79Å; N195-V203 VanDerWaalsContact OD1-CG2 3.24Å; N195-V203 WeakPolarHBondContact OD1-CG2 3.48Å; N195-N221 WeakPolarHBondContact ND2-CB 3.49Å; N195-N221 PolarHBondContact ND2-O 2.97Å; N195-N221 PolarHBondContact ND2-OD1 3.45Å; N195-N221 VanDerWaalsContact ND2-OD1 3.08Å
196H98.8Very high98.8Very high168 Ų16836.9 Ų36.978%0.77821%0.214SC*.Hα-helixtrans-61.8-45.9178.9178.2-91.8000112E192 N198 G199E192-H196 VanDerWaalsContact O-CB 3.23Å; E192-H196 WeakPolarHBondContact O-CB 3.27Å; E192-H196 PolarHBondContact O-N 2.99Å; H196-N198 PolarHBondContact O-N 2.84Å; H196-G199 PolarHBondContact O-N 2.95Å
197A98.6Very high98.8Very high67 Ų6737.4 Ų37.455%0.55422%0.217SC*.Hα-helixtrans-63.5-29.5-179.400000113.2T193 F194 N195T193-A197 VanDerWaalsContact O-CB 3.24Å; T193-A197 WeakPolarHBondContact O-CB 3.46Å; T193-A197 PolarHBondContact O-N 3.37Å; F194-A197 PolarHBondContact O-N 2.87Å; N195-A197 PolarHBondContact O-N 3.24Å
198N98.8Very high98.8Very high29 Ų2939.9 Ų39.916%0.15523%0.228CC..Hα-helixtrans-105.14-177-67.5-81.9000113.8D141 T142 L143 F194 N195 H196 L200D141-N198 PolarHBondContact O-ND2 3.47Å; T142-N198 VanDerWaalsContact CA-OD1 3.22Å; T142-N198 WeakPolarHBondContact CA-OD1 3.16Å; L143-N198 HydrophobicContact CD1-CB 4.47Å; L143-N198 HydrophobicContact CG-CB 4.22Å; L143-N198 PolarHBondContact N-OD1 3.48Å; F194-N198 WeakPolarHBondContact O-CB 3.11Å; F194-N198 PolarHBondContact O-N 3.5Å; F194-N198 VanDerWaalsContact O-N 3.11Å; F194-N198 PolarHBondContact O-ND2 3.14Å; N195-N198 CarbonylContact O-C 3.55Å; N195-N198 PolarHBondContact O-N 3.05Å; H196-N198 PolarHBondContact O-N 2.84Å; N198-L200 VanDerWaalsContact C-N 3.31Å; N198-L200 HydrophobicContact CB-CD1 3.86Å; N198-L200 HydrophobicContact CB-CG 3.81Å; N198-L200 PolarHBondContact O-N 2.68Å
199G98.6Very high98.7Very high55 Ų5539.2 Ų39.257%0.56723%0.227SC*.THydrogen-bonded Turntrans66.829.5-179.800000114.2N195 H196N195-G199 PolarHBondContact O-N 3.09Å; H196-G199 PolarHBondContact O-N 2.95Å
200L98.8Very high98.7Very high15 Ų1537 Ų378%0.07922%0.216CC..  trans-92.6148.8-176.4-53.4171.7000111.3L124 Q128 F130 L143 F194 N195 N198L124-L200 HydrophobicContact CD1-CD2 3.54Å; Q128-L200 CarbonylContact O-C 3.57Å; Q128-L200 WeakPolarHBondContact O-CA 3.43Å; F130-L200 HydrophobicContact CB-CD1 3.61Å; F130-L200 HydrophobicContact CB-CD2 4.11Å; F130-L200 HydrophobicContact CB-CG 4.42Å; F130-L200 HydrophobicContact CD1-CD1 4.49Å; F130-L200 HydrophobicContact CG-CD1 4.16Å; L143-L200 HydrophobicContact CD1-CD2 4.41Å; F194-L200 HydrophobicContact CD1-CD1 3.88Å; F194-L200 HydrophobicContact CE1-CD1 3.6Å; N195-L200 HydrophobicContact CB-CB 4.14Å; N195-L200 PolarHBondContact O-N 2.79Å; N198-L200 VanDerWaalsContact C-N 3.31Å; N198-L200 HydrophobicContact CB-CD1 3.86Å; N198-L200 HydrophobicContact CB-CG 3.81Å; N198-L200 PolarHBondContact O-N 2.68Å
201T98.4Very high98.6Very high74 Ų7440.5 Ų40.545%0.45423%0.233SC..SBendtrans-95.2-23.4171.958.30000112.4Q128Q128-T201 HydrophobicContact CB-CG2 4.15Å; Q128-T201 HydrophobicContact CG-CG2 4.37Å; Q128-T201 PolarHBondContact O-N 3.36Å; Q128-T201 PolarHBondContact O-OG1 3.09Å
202L98.9Very high98.6Very high5 Ų545.5 Ų45.53%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-161139.1-170.6177.458.1000112.1I129 F130 W216 V223 M242I129-L202 WeakPolarHBondContact CA-O 3.19Å; I129-L202 HydrophobicContact CD1-CD2 4.35Å; I129-L202 HydrophobicContact CG1-CB 4.2Å; I129-L202 HydrophobicContact CG2-CB 4.19Å; I129-L202 HydrophobicContact CG2-CD2 4.05Å; I129-L202 HydrophobicContact CG2-CG 4.16Å; F130-L202 PolarHBondContact N-O 2.66Å; L202-W216 HydrophobicContact CD1-CE3 4.5Å; L202-W216 HydrophobicContact CD1-CH2 3.98Å; L202-W216 HydrophobicContact CD1-CZ3 3.45Å; L202-W216 VanDerWaalsContact CD1-CZ3 3.45Å; L202-W216 HydrophobicContact CD2-CH2 3.91Å; L202-W216 HydrophobicContact CD2-CZ3 4.26Å; L202-V223 HydrophobicContact CD1-CB 4.31Å; L202-V223 HydrophobicContact CD1-CG1 4.03Å; L202-V223 HydrophobicContact CD2-CG1 3.96Å; L202-V223 HydrophobicContact CG-CG1 4.29Å; L202-M242 HydrophobicContact CD2-CE 3.66Å
203V98.9Very high98.6Very high0 Ų041.8 Ų41.80%024%0.239CC..EExtended strand (participates in β ladder)trans-94.7117.1156.6-177.30000109.2F130 L132 L136 N195 N221 V222 V223F130-V203 HydrophobicContact CD1-CG1 4.29Å; F130-V203 HydrophobicContact CD1-CG2 4.33Å; F130-V203 CarbonylContact O-C 3.48Å; F130-V203 WeakPolarHBondContact O-CA 3.47Å; L132-V203 HydrophobicContact CD2-CG1 3.48Å; L132-V203 VanDerWaalsContact CD2-CG1 3.48Å; L136-V203 HydrophobicContact CD2-CG2 4.46Å; N195-V203 VanDerWaalsContact OD1-CG2 3.24Å; N195-V203 WeakPolarHBondContact OD1-CG2 3.48Å; V203-N221 PolarHBondContact N-O 3.49Å; V203-V222 HydrophobicContact CB-CG1 4.46Å; V203-V222 HydrophobicContact CB-CG2 4.19Å; V203-V222 CarbonylContact O-C 3.57Å; V203-V222 VanDerWaalsContact O-CA 3.3Å; V203-V222 WeakPolarHBondContact O-CA 3.41Å; V203-V223 PolarHBondContact O-N 3.42Å
204S98.9Very high98.6Very high0 Ų040.3 Ų40.30%022%0.223CC..EExtended strand (participates in β ladder)trans-102.5123.4171.9173.30000109.5M49 F130 C131 L132M49-S204 VanDerWaalsContact SD-O 3.39Å; F130-S204 PolarHBondContact O-N 3.24Å; C131-S204 VanDerWaalsContact CA-O 3.28Å; C131-S204 WeakPolarHBondContact CA-O 3.3Å; L132-S204 PolarHBondContact N-O 2.88Å; L132-S204 VanDerWaalsContact N-O 3.14Å
205R98.9Very high98.6Very high0 Ų043.6 Ų43.60%024%0.241CC..EExtended strand (participates in β ladder)trans-140.7171.3-174.371.975.847.9141.911114.6M49 L132 H133 G134 S167 D168 H207 V222 V223 T224 I225M49-R205 WeakPolarHBondContact CE-O 3.39Å; L132-R205 HydrophobicContact CD2-CB 4Å; L132-R205 WeakPolarHBondContact O-CA 3.26Å; H133-R205 PolarHBondContact O-NE 3.48Å; H133-R205 PolarHBondContact O-NH2 3.43Å; G134-R205 WeakPolarHBondContact O-CB 3.11Å; G134-R205 PolarHBondContact O-NE 3.03Å; G134-R205 PolarHBondContact O-NH2 3.5Å; S167-R205 PolarHBondContact O-NH2 2.93Å; D168-R205 IonicContact OD1-CZ 2.68Å; D168-R205 IonicContact OD1-NH1 2.66Å; D168-R205 PolarHBondContact OD1-NH1 2.92Å; D168-R205 IonicContact OD1-NH2 3.94Å; D168-R205 PolarHBondContact OD1-NH2 2.91Å; R205-H207 PolarHBondContact NH2-CD2 3.46Å; R205-V222 HydrophobicContact CG-CG1 4.01Å; R205-V223 PolarHBondContact N-O 2.91Å; R205-T224 VanDerWaalsContact CD-OG1 3.3Å; R205-T224 WeakPolarHBondContact CD-OG1 3.07Å; R205-T224 CarbonylContact O-C 3.6Å; R205-T224 VanDerWaalsContact O-CA 3.31Å; R205-T224 WeakPolarHBondContact O-CA 3.39Å; R205-I225 PolarHBondContact O-N 2.89Å
206A98.9Very high98.6Very high0 Ų046 Ų460%025%0.25CC..  trans-123-131.2-173.500000113.3D23 M49 H133 Q208 I225D23-A206 WeakPolarHBondContact OD1-CB 3.45Å; M49-A206 HydrophobicContact CB-CB 3.91Å; M49-A206 HydrophobicContact CE-CB 3.94Å; H133-A206 CarbonylContact O-C 3.59Å; H133-A206 PolarHBondContact O-N 3.2Å; A206-Q208 PolarHBondContact O-N 3.45Å; A206-I225 WeakPolarHBondContact CA-O 3.37Å
207H98.7Very high98.5Very high12 Ų1239 Ų396%0.05622%0.22CC..SBendtrans62.6-28.2162.2-176.170.4000118.7D23 N83 H133 W166 D168 R180 R205D23-H207 PolarHBondContact OD1-N 2.93Å; D23-H207 WeakPolarHBondContact OD2-CA 3.42Å; N83-H207 PolarHBondContact OD1-CE1 3.3Å; N83-H207 VanDerWaalsContact OD1-CE1 3.3Å; N83-H207 PolarHBondContact OD1-ND1 2.69Å; H133-H207 AromaticContact CD2-ND1 3.89Å; H133-H207 AromaticContact NE2-CG 3.87Å; H133-H207 AromaticContact NE2-ND1 3.44Å; H133-H207 PolarHBondContact NE2-ND1 3.37Å; W166-H207 AromaticContact CE3-CE1 3.95Å; D168-H207 IonicContact OD1-CD2 2.86Å; D168-H207 PolarHBondContact OD1-CD2 3.39Å; R180-H207 WeakPolarHBondContact CD-NE2 3.37Å; R180-H207 PolarHBondContact NE-NE2 2.87Å; R205-H207 PolarHBondContact NH2-CD2 3.46Å
208Q98.3Very high98.5Very high51 Ų5136.4 Ų36.424%0.23820%0.196CC..SBendtrans-101.6121.8173.9-87175.4-36.800109.6D168 A206 V210 T224D168-Q208 WeakPolarHBondContact OD1-CG 3.14Å; D168-Q208 PolarHBondContact OD1-NE2 2.83Å; D168-Q208 PolarHBondContact OD1-OE1 2.68Å; D168-Q208 PolarHBondContact OD2-NE2 3.48Å; A206-Q208 PolarHBondContact O-N 3.45Å; Q208-V210 PolarHBondContact O-N 2.97Å; Q208-T224 HydrophobicContact CB-CG2 4.07Å; Q208-T224 WeakPolarHBondContact O-CG2 3.13Å
209L98.1Very high98.5Very high63 Ų6341.1 Ų41.133%0.3322%0.221SC..  trans-61.2126.2167.8-178.4150.2000109.5M211 F226 Y231 C235 N237L209-M211 HydrophobicContact CD2-SD 3.98Å; L209-F226 HydrophobicContact CB-CE2 4.29Å; L209-F226 HydrophobicContact CB-CZ 4.33Å; L209-F226 HydrophobicContact CD1-CE1 4.37Å; L209-F226 HydrophobicContact CG-CE1 4.44Å; L209-Y231 HydrophobicContact CD1-CD1 3.63Å; L209-Y231 HydrophobicContact CD1-CG 3.96Å; L209-C235 HydrophobicContact CD1-CB 3.54Å; L209-N237 HydrophobicContact CD1-CB 4.48Å; L209-N237 HydrophobicContact CD2-CB 4.15Å; L209-N237 HydrophobicContact CG-CB 4.3Å
210V97.6Very high98.5Very high21 Ų2145.7 Ų45.713%0.12722%0.221CC..  trans-124.4135.2173.6-68.60000108.6Q208 E212 G213 N215 T224 F226Q208-V210 PolarHBondContact O-N 2.97Å; V210-E212 PolarHBondContact O-N 3.23Å; V210-G213 VanDerWaalsContact CG2-C 3.5Å; V210-G213 PolarHBondContact O-N 2.83Å; V210-N215 HydrophobicContact CB-CB 4.05Å; V210-N215 HydrophobicContact CG1-CB 3.7Å; V210-N215 HydrophobicContact CG2-CB 4.43Å; V210-T224 HydrophobicContact CG1-CG2 3.88Å; V210-T224 HydrophobicContact CG2-CG2 4.33Å; V210-F226 HydrophobicContact CG2-CB 4.07Å
211M97.9Very high98.5Very high100 Ų10046.4 Ų46.449%0.49323%0.225SC..THydrogen-bonded Turntrans-62.3-31.7-168.3-71.4-55-58.400113.7L209 G213 N237 Q238L209-M211 HydrophobicContact CD2-SD 3.98Å; M211-G213 VanDerWaalsContact C-N 3.33Å; M211-N237 HydrophobicContact CE-CB 4.27Å; M211-N237 CarbonylContact O-C 3.51Å; M211-N237 VanDerWaalsContact O-CA 3.3Å; M211-N237 WeakPolarHBondContact O-CA 3.4Å; M211-N237 HydrophobicContact SD-CB 4.12Å; M211-Q238 PolarHBondContact O-N 2.95Å
212E97.9Very high98.5Very high105 Ų10542.9 Ų42.949%0.49120%0.204SC..THydrogen-bonded Turntrans-91.56-179.3-59.2-58.3130.400112.6V210 Y214 Q238 Q254V210-E212 PolarHBondContact O-N 3.23Å; E212-Y214 PolarHBondContact O-N 3.29Å; E212-Y214 VanDerWaalsContact O-N 3.07Å; E212-Q238 PolarHBondContact OE2-OE1 3.41Å; E212-Q254 PolarHBondContact O-NE2 3.16Å
213G98.5Very high98.5Very high0 Ų042.7 Ų42.70%020%0.202CC..SBendtrans76.2-20.1-175.300000114.5V210 M211 F226 Q238 A240V210-G213 VanDerWaalsContact CG2-C 3.5Å; V210-G213 PolarHBondContact O-N 2.83Å; M211-G213 VanDerWaalsContact C-N 3.33Å; G213-F226 PolarHBondContact O-N 3.26Å; G213-Q238 WeakPolarHBondContact CA-O 3.47Å; G213-Q238 PolarHBondContact N-O 3.35Å; G213-A240 VanDerWaalsContact C-CB 3.46Å; G213-A240 WeakPolarHBondContact O-CB 3.48Å
214Y98.8Very high98.5Very high65 Ų6542.8 Ų42.826%0.25520%0.203SC..EExtended strand (participates in β ladder)trans-141156.6165.376.2-77000111.5E212 W216 T224 A240 F252 Q254E212-Y214 PolarHBondContact O-N 3.29Å; E212-Y214 VanDerWaalsContact O-N 3.07Å; Y214-W216 AromaticContact CE2-CD1 3.89Å; Y214-W216 AromaticContact CE2-NE1 3.83Å; Y214-T224 CarbonylContact C-O 3.5Å; Y214-T224 WeakPolarHBondContact CA-O 3.41Å; Y214-T224 WeakPolarHBondContact CB-O 3.1Å; Y214-A240 HydrophobicContact CD1-CB 3.96Å; Y214-A240 HydrophobicContact CG-CB 4.44Å; Y214-F252 HydrophobicContact CD1-CB 4.05Å; Y214-F252 HydrophobicContact CD1-CD1 4.05Å; Y214-F252 HydrophobicContact CD1-CG 4.1Å; Y214-F252 AromaticContact CD2-CD1 3.73Å; Y214-F252 HydrophobicContact CD2-CD1 3.73Å; Y214-F252 HydrophobicContact CD2-CD2 4.1Å; Y214-F252 AromaticContact CD2-CE1 3.83Å; Y214-F252 HydrophobicContact CD2-CE1 3.83Å; Y214-F252 HydrophobicContact CD2-CE2 4.22Å; Y214-F252 AromaticContact CD2-CG 3.88Å; Y214-F252 HydrophobicContact CD2-CG 3.88Å; Y214-F252 HydrophobicContact CD2-CZ 4.1Å; Y214-F252 HydrophobicContact CE1-CB 3.92Å; Y214-F252 HydrophobicContact CE1-CG 4.17Å; Y214-F252 HydrophobicContact CE2-CD1 4.3Å; Y214-F252 AromaticContact CE2-CD2 3.9Å; Y214-F252 HydrophobicContact CE2-CD2 3.9Å; Y214-F252 HydrophobicContact CE2-CE2 4.22Å; Y214-F252 AromaticContact CE2-CG 3.97Å; Y214-F252 HydrophobicContact CE2-CG 3.97Å; Y214-F252 HydrophobicContact CG-CB 4.41Å; Y214-F252 AromaticContact CG-CD1 3.59Å; Y214-F252 HydrophobicContact CG-CD1 3.59Å; Y214-F252 HydrophobicContact CG-CE1 4Å; Y214-F252 AromaticContact CG-CG 3.95Å; Y214-F252 HydrophobicContact CG-CG 3.95Å; Y214-Q254 HydrophobicContact CD1-CG 4.07Å; Y214-Q254 HydrophobicContact CE1-CG 3.92Å
215N98.7Very high98.5Very high82 Ų8242.8 Ų42.844%0.43920%0.203SC..EExtended strand (participates in β ladder)trans-148.5135174.7-175.855.6000111.3V210 V223 T224V210-N215 HydrophobicContact CB-CB 4.05Å; V210-N215 HydrophobicContact CG1-CB 3.7Å; V210-N215 HydrophobicContact CG2-CB 4.43Å; N215-V223 WeakPolarHBondContact O-CA 3.18Å; N215-T224 PolarHBondContact N-O 2.78Å; N215-T224 PolarHBondContact O-N 2.8Å
216W98.7Very high98.5Very high55 Ų5542.9 Ų42.921%0.20820%0.204CC..EExtended strand (participates in β ladder)trans-90.5137.5171.7-72.8104000110.3L202 Y214 R220 V223 Y250 F252L202-W216 HydrophobicContact CD1-CE3 4.5Å; L202-W216 HydrophobicContact CD1-CH2 3.98Å; L202-W216 HydrophobicContact CD1-CZ3 3.45Å; L202-W216 VanDerWaalsContact CD1-CZ3 3.45Å; L202-W216 HydrophobicContact CD2-CH2 3.91Å; L202-W216 HydrophobicContact CD2-CZ3 4.26Å; Y214-W216 AromaticContact CE2-CD1 3.89Å; Y214-W216 AromaticContact CE2-NE1 3.83Å; W216-R220 HydrophobicContact CD2-CB 4.44Å; W216-R220 HydrophobicContact CD2-CG 4.23Å; W216-R220 HydrophobicContact CE3-CB 3.75Å; W216-R220 HydrophobicContact CE3-CG 4.01Å; W216-R220 HydrophobicContact CG-CG 4.46Å; W216-R220 HydrophobicContact CZ3-CB 3.94Å; W216-R220 WeakPolarHBondContact CZ3-O 3.29Å; W216-V223 HydrophobicContact CD2-CB 4.09Å; W216-V223 HydrophobicContact CD2-CG2 4.01Å; W216-V223 HydrophobicContact CE3-CB 3.67Å; W216-V223 HydrophobicContact CE3-CG2 4.13Å; W216-V223 HydrophobicContact CH2-CB 3.93Å; W216-V223 HydrophobicContact CH2-CG1 4.31Å; W216-V223 HydrophobicContact CH2-CG2 4.37Å; W216-V223 HydrophobicContact CZ2-CB 4.29Å; W216-V223 HydrophobicContact CZ2-CG2 4.23Å; W216-V223 HydrophobicContact CZ3-CB 3.63Å; W216-V223 HydrophobicContact CZ3-CG1 4.31Å; W216-V223 HydrophobicContact CZ3-CG2 4.34Å; W216-Y250 HydrophobicContact CH2-CE1 4.28Å; W216-Y250 HydrophobicContact CH2-CE2 4.12Å; W216-Y250 AromaticContact CH2-CZ 3.95Å; W216-Y250 HydrophobicContact CZ2-CD2 4.02Å; W216-Y250 AromaticContact CZ2-CE2 3.57Å; W216-Y250 HydrophobicContact CZ2-CE2 3.57Å; W216-Y250 AromaticContact CZ2-CZ 3.86Å; W216-F252 AromaticContact CE2-CE2 3.88Å; W216-F252 AromaticContact CE2-CZ 3.91Å; W216-F252 HydrophobicContact CH2-CZ 4.42Å; W216-F252 AromaticContact CZ2-CE2 3.58Å; W216-F252 HydrophobicContact CZ2-CE2 3.58Å; W216-F252 AromaticContact CZ2-CZ 3.52Å; W216-F252 HydrophobicContact CZ2-CZ 3.52Å; W216-F252 AromaticContact NE1-CE2 3.68Å; W216-F252 AromaticContact NE1-CZ 3.99Å
217C98.4Very high98.5Very high21 Ų2143 Ų4314%0.14220%0.204CC..EExtended strand (participates in β ladder)trans-139.8175169.562.40000111.4D219 R220 V222C217-D219 PolarHBondContact O-N 3.37Å; C217-R220 WeakPolarHBondContact O-CA 3.49Å; C217-R220 PolarHBondContact O-N 3Å; C217-V222 PolarHBondContact N-O 3.24Å; C217-V222 PolarHBondContact O-N 3.39Å
218H98.8Very high98.5Very high12 Ų1242.5 Ų42.56%0.05620%0.202CC..G310 helixtrans54.849175-57.4175.4000113.4P169 D170 F186 G187 Q188 S191 R220 N221 V222P169-H218 WeakPolarHBondContact CB-CE1 3.48Å; D170-H218 PolarHBondContact N-NE2 3.2Å; D170-H218 PolarHBondContact O-NE2 2.8Å; D170-H218 VanDerWaalsContact O-NE2 3.13Å; F186-H218 PolarHBondContact O-CE1 2.88Å; G187-H218 VanDerWaalsContact C-CE1 3.48Å; Q188-H218 HydrophobicContact CB-CB 3.8Å; Q188-H218 HydrophobicContact CG-CB 3.87Å; S191-H218 PolarHBondContact OG-ND1 3.3Å; H218-R220 PolarHBondContact O-N 3.5Å; H218-N221 HydrophobicContact CB-CB 4.23Å; H218-N221 VanDerWaalsContact O-CB 3.23Å; H218-N221 WeakPolarHBondContact O-CB 3.25Å; H218-N221 PolarHBondContact O-N 3.19Å; H218-N221 PolarHBondContact O-ND2 3.35Å; H218-V222 HydrophobicContact CB-CG2 4.22Å
219D98.3Very high98.5Very high127 Ų12740.1 Ų40.168%0.67919%0.191SC*.G310 helixtrans49.642.4-174.6-161.429.5000113.7C217 N221C217-D219 PolarHBondContact O-N 3.37Å; D219-N221 PolarHBondContact O-N 3.19Å
220R98.3Very high98.4Very high151 Ų15139.1 Ų39.157%0.5719%0.186SC*.G310 helixtrans65.514.1-177.4-52.6-175.8176.3-161.4-0.6115.8W216 C217 H218 V222W216-R220 HydrophobicContact CD2-CB 4.44Å; W216-R220 HydrophobicContact CD2-CG 4.23Å; W216-R220 HydrophobicContact CE3-CB 3.75Å; W216-R220 HydrophobicContact CE3-CG 4.01Å; W216-R220 HydrophobicContact CG-CG 4.46Å; W216-R220 HydrophobicContact CZ3-CB 3.94Å; W216-R220 WeakPolarHBondContact CZ3-O 3.29Å; C217-R220 WeakPolarHBondContact O-CA 3.49Å; C217-R220 PolarHBondContact O-N 3Å; H218-R220 PolarHBondContact O-N 3.5Å; R220-V222 PolarHBondContact O-N 2.87Å
221N98.8Very high98.4Very high31 Ų3139.5 Ų39.517%0.16619%0.185CC..THydrogen-bonded Turntrans-67.6-21.7167.1-76.7-82.8000112.4E192 N195 V203 H218 D219E192-N221 WeakPolarHBondContact CG-ND2 3.31Å; N195-N221 WeakPolarHBondContact ND2-CB 3.49Å; N195-N221 PolarHBondContact ND2-O 2.97Å; N195-N221 PolarHBondContact ND2-OD1 3.45Å; N195-N221 VanDerWaalsContact ND2-OD1 3.08Å; V203-N221 PolarHBondContact N-O 3.49Å; H218-N221 HydrophobicContact CB-CB 4.23Å; H218-N221 VanDerWaalsContact O-CB 3.23Å; H218-N221 WeakPolarHBondContact O-CB 3.25Å; H218-N221 PolarHBondContact O-N 3.19Å; H218-N221 PolarHBondContact O-ND2 3.35Å; D219-N221 PolarHBondContact O-N 3.19Å
222V98.9Very high98Very high0 Ų035.1 Ų35.10%016%0.164CC..EExtended strand (participates in β ladder)trans-134.5135.6-178.1-174.20000110.4F186 S191 V203 R205 C217 H218 R220F186-V222 HydrophobicContact CE2-CG2 4.2Å; S191-V222 WeakPolarHBondContact OG-CG2 3.35Å; V203-V222 HydrophobicContact CB-CG1 4.46Å; V203-V222 HydrophobicContact CB-CG2 4.19Å; V203-V222 CarbonylContact O-C 3.57Å; V203-V222 VanDerWaalsContact O-CA 3.3Å; V203-V222 WeakPolarHBondContact O-CA 3.41Å; R205-V222 HydrophobicContact CG-CG1 4.01Å; C217-V222 PolarHBondContact N-O 3.24Å; C217-V222 PolarHBondContact O-N 3.39Å; H218-V222 HydrophobicContact CB-CG2 4.22Å; R220-V222 PolarHBondContact O-N 2.87Å
223V98.9Very high97.6Very high0 Ų032.5 Ų32.50%015%0.151CC..EExtended strand (participates in β ladder)trans-120.6134.8165.967.60000110.3L202 V203 R205 N215 W216 I225 M242 F252L202-V223 HydrophobicContact CD1-CB 4.31Å; L202-V223 HydrophobicContact CD1-CG1 4.03Å; L202-V223 HydrophobicContact CD2-CG1 3.96Å; L202-V223 HydrophobicContact CG-CG1 4.29Å; V203-V223 PolarHBondContact O-N 3.42Å; R205-V223 PolarHBondContact N-O 2.91Å; N215-V223 WeakPolarHBondContact O-CA 3.18Å; W216-V223 HydrophobicContact CD2-CB 4.09Å; W216-V223 HydrophobicContact CD2-CG2 4.01Å; W216-V223 HydrophobicContact CE3-CB 3.67Å; W216-V223 HydrophobicContact CE3-CG2 4.13Å; W216-V223 HydrophobicContact CH2-CB 3.93Å; W216-V223 HydrophobicContact CH2-CG1 4.31Å; W216-V223 HydrophobicContact CH2-CG2 4.37Å; W216-V223 HydrophobicContact CZ2-CB 4.29Å; W216-V223 HydrophobicContact CZ2-CG2 4.23Å; W216-V223 HydrophobicContact CZ3-CB 3.63Å; W216-V223 HydrophobicContact CZ3-CG1 4.31Å; W216-V223 HydrophobicContact CZ3-CG2 4.34Å; V223-I225 HydrophobicContact CG1-CD1 4.43Å; V223-I225 HydrophobicContact CG1-CG1 4.45Å; V223-I225 HydrophobicContact CG2-CG1 4.3Å; V223-M242 HydrophobicContact CG1-SD 4.18Å; V223-F252 HydrophobicContact CG2-CE1 3.92Å; V223-F252 HydrophobicContact CG2-CZ 3.83Å
224T98.9Very high97.2Very high2 Ų239 Ų391%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-99131.8168.4-59.90000109.1R205 Q208 V210 Y214 N215R205-T224 VanDerWaalsContact CD-OG1 3.3Å; R205-T224 WeakPolarHBondContact CD-OG1 3.07Å; R205-T224 CarbonylContact O-C 3.6Å; R205-T224 VanDerWaalsContact O-CA 3.31Å; R205-T224 WeakPolarHBondContact O-CA 3.39Å; Q208-T224 HydrophobicContact CB-CG2 4.07Å; Q208-T224 WeakPolarHBondContact O-CG2 3.13Å; V210-T224 HydrophobicContact CG1-CG2 3.88Å; V210-T224 HydrophobicContact CG2-CG2 4.33Å; Y214-T224 CarbonylContact C-O 3.5Å; Y214-T224 WeakPolarHBondContact CA-O 3.41Å; Y214-T224 WeakPolarHBondContact CB-O 3.1Å; N215-T224 PolarHBondContact N-O 2.78Å; N215-T224 PolarHBondContact O-N 2.8Å
225I98.9Very high96.9Very high0 Ų038.4 Ų38.40%018%0.179CC..EExtended strand (participates in β ladder)trans-125.5131177.6-55.6167.2000108.3V20 G22 M49 R205 A206 V223 A240 M242 F252V20-I225 HydrophobicContact CB-CD1 4.41Å; V20-I225 HydrophobicContact CG1-CD1 4.03Å; G22-I225 WeakPolarHBondContact CA-O 3.29Å; M49-I225 HydrophobicContact CE-CB 3.84Å; M49-I225 HydrophobicContact CE-CD1 3.99Å; M49-I225 HydrophobicContact CE-CG1 4.33Å; R205-I225 PolarHBondContact O-N 2.89Å; A206-I225 WeakPolarHBondContact CA-O 3.37Å; V223-I225 HydrophobicContact CG1-CD1 4.43Å; V223-I225 HydrophobicContact CG1-CG1 4.45Å; V223-I225 HydrophobicContact CG2-CG1 4.3Å; I225-A240 WeakPolarHBondContact CG2-O 3.46Å; I225-M242 HydrophobicContact CD1-CB 3.48Å; I225-M242 VanDerWaalsContact CD1-CB 3.48Å; I225-M242 HydrophobicContact CD1-CG 4.3Å; I225-M242 HydrophobicContact CD1-SD 3.82Å; I225-M242 HydrophobicContact CG1-CB 4.5Å; I225-F252 HydrophobicContact CD1-CE1 4.4Å; I225-F252 HydrophobicContact CG1-CE1 4.26Å
226F98.9Very high96.7Very high3 Ų336.9 Ų36.91%0.01318%0.184CC..BIsolated β-bridgetrans-130.9122-179.6-163.4-92.6000109.1D23 L209 V210 G213 A228 Y231 A239 A240D23-F226 HydrophobicContact CB-CD2 3.89Å; D23-F226 HydrophobicContact CB-CE2 3.58Å; D23-F226 HydrophobicContact CB-CZ 4.07Å; D23-F226 VanDerWaalsContact CG-CE2 3.5Å; D23-F226 WeakPolarHBondContact OD2-CE2 3.13Å; L209-F226 HydrophobicContact CB-CE2 4.29Å; L209-F226 HydrophobicContact CB-CZ 4.33Å; L209-F226 HydrophobicContact CD1-CE1 4.37Å; L209-F226 HydrophobicContact CG-CE1 4.44Å; V210-F226 HydrophobicContact CG2-CB 4.07Å; G213-F226 PolarHBondContact O-N 3.26Å; F226-A228 HydrophobicContact CD1-CB 4.36Å; F226-A228 HydrophobicContact CE1-CB 3.7Å; F226-A228 VanDerWaalsContact CE1-O 3.26Å; F226-A228 WeakPolarHBondContact CE1-O 3.21Å; F226-A228 HydrophobicContact CZ-CB 4.25Å; F226-Y231 HydrophobicContact CE1-CD2 4.04Å; F226-Y231 AromaticContact CE1-CG 3.94Å; F226-Y231 HydrophobicContact CE1-CG 3.94Å; F226-Y231 HydrophobicContact CZ-CD1 4.13Å; F226-Y231 AromaticContact CZ-CD2 3.75Å; F226-Y231 HydrophobicContact CZ-CD2 3.75Å; F226-Y231 HydrophobicContact CZ-CE1 4.38Å; F226-Y231 HydrophobicContact CZ-CE2 4.06Å; F226-Y231 AromaticContact CZ-CG 3.76Å; F226-Y231 HydrophobicContact CZ-CG 3.76Å; F226-A239 CarbonylContact O-C 3.21Å; F226-A239 VanDerWaalsContact O-CA 3.29Å; F226-A239 WeakPolarHBondContact O-CA 3.36Å; F226-A240 PolarHBondContact O-N 3.4Å
227S98.9Very high96.7Very high2 Ų234.4 Ų34.41%0.01417%0.174CC..  trans-11010.6-167.6-59.20000114.2G22 D23 P229 A240G22-S227 PolarHBondContact N-OG 2.72Å; D23-S227 CarbonylContact O-C 3.5Å; D23-S227 VanDerWaalsContact O-CA 3.26Å; D23-S227 WeakPolarHBondContact O-CA 3.48Å; D23-S227 WeakPolarHBondContact O-CB 3.49Å; D23-S227 PolarHBondContact O-N 3.47Å; D23-S227 VanDerWaalsContact O-N 3.14Å; S227-P229 WeakPolarHBondContact O-CD 3.12Å; S227-A240 PolarHBondContact OG-O 2.92Å
228A98.5Very high96.6Very high1 Ų135.8 Ų35.81%0.00818%0.179CC..  trans-106.499.7175.500000111D23 F226 Y231 N237D23-A228 PolarHBondContact O-N 3.21Å; F226-A228 HydrophobicContact CD1-CB 4.36Å; F226-A228 HydrophobicContact CE1-CB 3.7Å; F226-A228 VanDerWaalsContact CE1-O 3.26Å; F226-A228 WeakPolarHBondContact CE1-O 3.21Å; F226-A228 HydrophobicContact CZ-CB 4.25Å; A228-Y231 HydrophobicContact CB-CD2 4.06Å; A228-N237 PolarHBondContact O-ND2 3.06Å
229P98.1Very high96.6Very high1 Ų135.2 Ų35.21%0.00618%0.176CC..THydrogen-bonded Turntrans-75147.7-176.532.1-35.8000110.6Q27 D30 S227 Y231 A239 F255 P257Q27-P229 PolarHBondContact NE2-O 2.87Å; D30-P229 HydrophobicContact CB-CG 3.8Å; S227-P229 WeakPolarHBondContact O-CD 3.12Å; P229-Y231 VanDerWaalsContact C-N 3.26Å; P229-Y231 PolarHBondContact O-N 3.46Å; P229-A239 HydrophobicContact CB-CB 3.69Å; P229-A239 HydrophobicContact CG-CB 4.03Å; P229-F255 HydrophobicContact CG-CD2 4.23Å; P229-F255 HydrophobicContact CG-CE2 3.93Å; P229-P257 HydrophobicContact CB-CB 4.49Å; P229-P257 HydrophobicContact CB-CG 3.91Å; P229-P257 HydrophobicContact CG-CB 4.31Å; P229-P257 HydrophobicContact CG-CG 4.25Å
230N96.6Very high96.7Very high43 Ų4329.2 Ų29.223%0.2314%0.144CC..THydrogen-bonded Turntrans42.356.4-171.8-176.130.5000111.3C232 Y233 R234 C235 G236 N237 P257N230-C232 PolarHBondContact O-N 2.86Å; N230-Y233 WeakPolarHBondContact O-CA 3.37Å; N230-Y233 PolarHBondContact O-N 2.54Å; N230-R234 PolarHBondContact OD1-N 3.25Å; N230-R234 VanDerWaalsContact OD1-N 3.13Å; N230-C235 PolarHBondContact OD1-N 3.45Å; N230-G236 WeakPolarHBondContact OD1-CA 3.37Å; N230-G236 PolarHBondContact OD1-N 2.85Å; N230-N237 PolarHBondContact N-O 2.87Å; N230-P257 HydrophobicContact CB-CG 3.46Å; N230-P257 VanDerWaalsContact CB-CG 3.46Å
231Y96.3Very high96.7Very high28 Ų2822 Ų2211%0.1112%0.117CC..G310 helixtrans-49.3140-171.8-177.9-125.9000112.4H25 R55 L209 F226 A228 P229 Y233 R234 C235 N237H25-Y231 HydrophobicContact CB-CD2 4.46Å; H25-Y231 HydrophobicContact CB-CE2 3.66Å; H25-Y231 AromaticContact CD2-CE2 3.16Å; H25-Y231 WeakPolarHBondContact CD2-CE2 3.32Å; H25-Y231 AromaticContact CD2-CZ 3.51Å; H25-Y231 PolarHBondContact CD2-OH 2.87Å; H25-Y231 PolarHBondContact CE1-OH 3.47Å; H25-Y231 AromaticContact CG-CE2 3.57Å; H25-Y231 AromaticContact NE2-CE2 3.87Å; H25-Y231 AromaticContact NE2-CZ 3.7Å; H25-Y231 PolarHBondContact NE2-OH 3.3Å; R55-Y231 HydrophobicContact CB-CE2 4.42Å; R55-Y231 HydrophobicContact CG-CE2 4.32Å; R55-Y231 WeakPolarHBondContact CG-OH 3.43Å; L209-Y231 HydrophobicContact CD1-CD1 3.63Å; L209-Y231 HydrophobicContact CD1-CG 3.96Å; F226-Y231 HydrophobicContact CE1-CD2 4.04Å; F226-Y231 AromaticContact CE1-CG 3.94Å; F226-Y231 HydrophobicContact CE1-CG 3.94Å; F226-Y231 HydrophobicContact CZ-CD1 4.13Å; F226-Y231 AromaticContact CZ-CD2 3.75Å; F226-Y231 HydrophobicContact CZ-CD2 3.75Å; F226-Y231 HydrophobicContact CZ-CE1 4.38Å; F226-Y231 HydrophobicContact CZ-CE2 4.06Å; F226-Y231 AromaticContact CZ-CG 3.76Å; F226-Y231 HydrophobicContact CZ-CG 3.76Å; A228-Y231 HydrophobicContact CB-CD2 4.06Å; P229-Y231 VanDerWaalsContact C-N 3.26Å; P229-Y231 PolarHBondContact O-N 3.46Å; Y231-Y233 PolarHBondContact O-N 2.97Å; Y231-R234 PolarHBondContact O-N 2.77Å; Y231-R234 VanDerWaalsContact O-N 3.09Å; Y231-C235 WeakPolarHBondContact O-CB 3.4Å; Y231-C235 PolarHBondContact O-N 3.16Å; Y231-C235 PolarHBondContact O-SG 2.96Å; Y231-C235 VanDerWaalsContact O-SG 3.37Å; Y231-N237 WeakPolarHBondContact CB-OD1 3.29Å; Y231-N237 PolarHBondContact N-OD1 3.2Å
232C90.8Very high96.7Very high8 Ų820.5 Ų20.55%0.05411%0.109CC..G310 helixtrans53.422.7-175.2-66.90000113.3N230 R234 F274N230-C232 PolarHBondContact O-N 2.86Å; C232-R234 HydrophobicContact CB-CG 4.06Å; C232-R234 PolarHBondContact O-N 3.46Å; C232-F274 HydrophobicContact CB-CB 4.43Å; C232-F274 HydrophobicContact CB-CD1 3.78Å; C232-F274 HydrophobicContact CB-CE1 4.49Å
233Y89.4Confident96.7Very high51 Ų5123.2 Ų23.220%0.212%0.121CC..G310 helixtrans61.420.9-177.8-40.4-57000114.9Q27 Y57 N230 Y231 F274Q27-Y233 HydrophobicContact CG-CE1 4.2Å; Y57-Y233 AromaticContact CD2-CE2 3.56Å; Y57-Y233 HydrophobicContact CD2-CE2 3.56Å; Y57-Y233 AromaticContact CD2-CZ 3.74Å; Y57-Y233 VanDerWaalsContact CD2-OH 3.27Å; Y57-Y233 WeakPolarHBondContact CD2-OH 3.49Å; Y57-Y233 HydrophobicContact CE2-CD2 4.02Å; Y57-Y233 AromaticContact CE2-CE2 3.31Å; Y57-Y233 HydrophobicContact CE2-CE2 3.31Å; Y57-Y233 AromaticContact CE2-CZ 3.93Å; Y57-Y233 HydrophobicContact CG-CE2 4.48Å; Y57-Y233 PolarHBondContact N-OH 2.76Å; N230-Y233 WeakPolarHBondContact O-CA 3.37Å; N230-Y233 PolarHBondContact O-N 2.54Å; Y231-Y233 PolarHBondContact O-N 2.97Å; Y233-F274 HydrophobicContact CD2-CE1 4.21Å; Y233-F274 HydrophobicContact CD2-CZ 4.08Å; Y233-F274 AromaticContact CE2-CE1 3.97Å; Y233-F274 HydrophobicContact CE2-CE1 3.97Å; Y233-F274 AromaticContact CE2-CZ 3.7Å; Y233-F274 HydrophobicContact CE2-CZ 3.7Å
234R90.3Very high96.7Very high137 Ų13723.4 Ų23.452%0.51712%0.122SC..THydrogen-bonded Turntrans-144.9-25.9-171.767.8-177.5-61.8-174.60.6115.8N230 Y231 C232 G236 F274 L275N230-R234 PolarHBondContact OD1-N 3.25Å; N230-R234 VanDerWaalsContact OD1-N 3.13Å; Y231-R234 PolarHBondContact O-N 2.77Å; Y231-R234 VanDerWaalsContact O-N 3.09Å; C232-R234 HydrophobicContact CB-CG 4.06Å; C232-R234 PolarHBondContact O-N 3.46Å; R234-G236 VanDerWaalsContact C-N 3.3Å; R234-G236 PolarHBondContact O-N 2.68Å; R234-F274 WeakPolarHBondContact CD-O 3.44Å; R234-F274 PolarHBondContact NH1-O 3.24Å; R234-L275 VanDerWaalsContact NH1-CD2 3.32Å
235C91.2Very high96.6Very high51 Ų5126.1 Ų26.135%0.34514%0.137SC..SBendtrans-74.3-21.8-170.5-67.10000113.2L209 N230 Y231 N237L209-C235 HydrophobicContact CD1-CB 3.54Å; N230-C235 PolarHBondContact OD1-N 3.45Å; Y231-C235 WeakPolarHBondContact O-CB 3.4Å; Y231-C235 PolarHBondContact O-N 3.16Å; Y231-C235 PolarHBondContact O-SG 2.96Å; Y231-C235 VanDerWaalsContact O-SG 3.37Å; C235-N237 PolarHBondContact O-N 2.87Å
236G94.7Very high96.5Very high51 Ų5132.1 Ų32.153%0.52617%0.169SC..  trans69.89.8176.400000115.5N230 R234N230-G236 WeakPolarHBondContact OD1-CA 3.37Å; N230-G236 PolarHBondContact OD1-N 2.85Å; R234-G236 VanDerWaalsContact C-N 3.3Å; R234-G236 PolarHBondContact O-N 2.68Å
237N98.2Very high96.4Very high3 Ų336.4 Ų36.42%0.01620%0.195CC..  trans-70.2152.7174.364.5-70.4000111.9L209 M211 A228 N230 Y231 C235L209-N237 HydrophobicContact CD1-CB 4.48Å; L209-N237 HydrophobicContact CD2-CB 4.15Å; L209-N237 HydrophobicContact CG-CB 4.3Å; M211-N237 HydrophobicContact CE-CB 4.27Å; M211-N237 CarbonylContact O-C 3.51Å; M211-N237 VanDerWaalsContact O-CA 3.3Å; M211-N237 WeakPolarHBondContact O-CA 3.4Å; M211-N237 HydrophobicContact SD-CB 4.12Å; A228-N237 PolarHBondContact O-ND2 3.06Å; N230-N237 PolarHBondContact N-O 2.87Å; Y231-N237 WeakPolarHBondContact CB-OD1 3.29Å; Y231-N237 PolarHBondContact N-OD1 3.2Å; C235-N237 PolarHBondContact O-N 2.87Å
238Q98.1Very high96.2Very high50 Ų5037.5 Ų37.523%0.23420%0.201CC..  trans-75.5164.7159.8-56.6-163.7-78.200110.1M211 E212 G213 D256M211-Q238 PolarHBondContact O-N 2.95Å; E212-Q238 PolarHBondContact OE2-OE1 3.41Å; G213-Q238 WeakPolarHBondContact CA-O 3.47Å; G213-Q238 PolarHBondContact N-O 3.35Å; Q238-D256 PolarHBondContact NE2-OD1 2.94Å
239A98.7Very high96.2Very high0 Ų044.1 Ų44.10%023%0.23CC..EExtended strand (participates in β ladder)trans-106.6159.2166.400000110.5F226 P229 Q254 F255F226-A239 CarbonylContact O-C 3.21Å; F226-A239 VanDerWaalsContact O-CA 3.29Å; F226-A239 WeakPolarHBondContact O-CA 3.36Å; P229-A239 HydrophobicContact CB-CB 3.69Å; P229-A239 HydrophobicContact CG-CB 4.03Å; A239-Q254 CarbonylContact O-C 3.58Å; A239-Q254 WeakPolarHBondContact O-CA 3.42Å; A239-F255 HydrophobicContact CB-CD1 3.95Å; A239-F255 HydrophobicContact CB-CD2 4.05Å; A239-F255 HydrophobicContact CB-CE1 3.5Å; A239-F255 VanDerWaalsContact CB-CE1 3.5Å; A239-F255 HydrophobicContact CB-CE2 3.63Å; A239-F255 HydrophobicContact CB-CG 4.2Å; A239-F255 HydrophobicContact CB-CZ 3.32Å; A239-F255 PolarHBondContact N-O 3.49Å; A239-F255 PolarHBondContact O-N 3.18Å
240A98.8Very high96.1Very high0 Ų048.7 Ų48.70%025%0.247CC..EExtended strand (participates in β ladder)trans-139.5160.8171.400000112.5G213 Y214 I225 F226 S227 L253 Q254G213-A240 VanDerWaalsContact C-CB 3.46Å; G213-A240 WeakPolarHBondContact O-CB 3.48Å; Y214-A240 HydrophobicContact CD1-CB 3.96Å; Y214-A240 HydrophobicContact CG-CB 4.44Å; I225-A240 WeakPolarHBondContact CG2-O 3.46Å; F226-A240 PolarHBondContact O-N 3.4Å; S227-A240 PolarHBondContact OG-O 2.92Å; A240-L253 CarbonylContact C-O 3.54Å; A240-L253 VanDerWaalsContact CA-O 3.25Å; A240-L253 WeakPolarHBondContact CA-O 2.79Å; A240-Q254 HydrophobicContact CB-CG 4.23Å
241I98.9Very high96.2Very high0 Ų049.3 Ų49.30%026%0.255CS..EExtended strand (participates in β ladder)trans-129.3151.4163.855.7-178.7000108.8T19 C21 L34 I37 F252 L253 F255T19-I241 HydrophobicContact CG2-CB 3.93Å; T19-I241 HydrophobicContact CG2-CD1 3.85Å; T19-I241 HydrophobicContact CG2-CG1 4.21Å; C21-I241 HydrophobicContact CB-CG2 4.32Å; L34-I241 HydrophobicContact CD1-CG2 3.68Å; L34-I241 HydrophobicContact CD2-CG2 4.34Å; L34-I241 HydrophobicContact CG-CG2 3.74Å; I37-I241 HydrophobicContact CG2-CD1 4.11Å; I241-F252 WeakPolarHBondContact O-CA 3.02Å; I241-L253 HydrophobicContact CD1-CB 4.33Å; I241-L253 HydrophobicContact CD1-CD1 4.31Å; I241-L253 HydrophobicContact CG1-CB 3.87Å; I241-L253 PolarHBondContact N-O 3.28Å; I241-L253 PolarHBondContact O-N 3.49Å; I241-F255 HydrophobicContact CG2-CE1 4.36Å
242M98.9Very high96.3Very high0 Ų049.8 Ų49.80%026%0.258CS..EExtended strand (participates in β ladder)trans-111.8115.7178.1179-175.3177.500109.5T19 V20 I129 L202 V223 I225 L244 Y250 S251 F252T19-M242 CarbonylContact C-O 3.47Å; T19-M242 WeakPolarHBondContact CA-O 3.27Å; V20-M242 HydrophobicContact CB-CB 4.3Å; V20-M242 PolarHBondContact N-O 3.48Å; V20-M242 PolarHBondContact O-N 3.49Å; I129-M242 HydrophobicContact CD1-CE 4.5Å; L202-M242 HydrophobicContact CD2-CE 3.66Å; V223-M242 HydrophobicContact CG1-SD 4.18Å; I225-M242 HydrophobicContact CD1-CB 3.48Å; I225-M242 VanDerWaalsContact CD1-CB 3.48Å; I225-M242 HydrophobicContact CD1-CG 4.3Å; I225-M242 HydrophobicContact CD1-SD 3.82Å; I225-M242 HydrophobicContact CG1-CB 4.5Å; M242-L244 HydrophobicContact CE-CD2 3.69Å; M242-L244 HydrophobicContact CE-CG 4.46Å; M242-Y250 HydrophobicContact CE-CD1 4Å; M242-Y250 HydrophobicContact CE-CG 3.7Å; M242-S251 CarbonylContact C-O 3.09Å; M242-S251 WeakPolarHBondContact CA-O 3.43Å; M242-F252 HydrophobicContact CB-CD1 3.95Å; M242-F252 HydrophobicContact CB-CE1 3.69Å; M242-F252 HydrophobicContact CB-CZ 4.39Å; M242-F252 HydrophobicContact CE-CZ 4.38Å; M242-F252 HydrophobicContact CG-CD1 4.28Å; M242-F252 HydrophobicContact CG-CE1 3.74Å; M242-F252 HydrophobicContact CG-CZ 3.93Å; M242-F252 HydrophobicContact SD-CE1 3.98Å; M242-F252 HydrophobicContact SD-CZ 3.92Å
243E98.8Very high96.7Very high56 Ų5652 Ų5226%0.26227%0.269SS..EExtended strand (participates in β ladder)trans-89128.8174.6-63.3-177141.400109.6T19 Y250 S251 L253T19-E243 HydrophobicContact CG2-CG 4.25Å; E243-Y250 CarbonylContact O-C 3.6Å; E243-Y250 VanDerWaalsContact O-CA 3.24Å; E243-Y250 WeakPolarHBondContact O-CA 3.36Å; E243-S251 PolarHBondContact N-O 3.14Å; E243-S251 PolarHBondContact O-N 2.95Å; E243-L253 VanDerWaalsContact CD-CD1 3.48Å; E243-L253 HydrophobicContact CG-CD1 4.24Å; E243-L253 WeakPolarHBondContact OE1-CD1 3.16Å
244L98.7Very high97.1Very high4 Ų453.4 Ų53.42%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-106.9118.3169.8-65.2172.8000108.7P17 V18 V20 V125 I129 M242 L248 K249P17-L244 CarbonylContact C-O 3.53Å; P17-L244 WeakPolarHBondContact CA-O 3.24Å; P17-L244 WeakPolarHBondContact CB-O 3.27Å; V18-L244 HydrophobicContact CG1-CB 4.16Å; V18-L244 HydrophobicContact CG1-CD1 3.91Å; V18-L244 PolarHBondContact N-O 3.25Å; V18-L244 WeakPolarHBondContact O-CB 3.39Å; V18-L244 PolarHBondContact O-N 2.93Å; V20-L244 HydrophobicContact CG2-CD1 4.04Å; V125-L244 HydrophobicContact CB-CD1 4.29Å; V125-L244 HydrophobicContact CG1-CD1 3.86Å; V125-L244 HydrophobicContact CG2-CD1 4.36Å; I129-L244 HydrophobicContact CD1-CD1 3.74Å; I129-L244 HydrophobicContact CD1-CD2 3.47Å; I129-L244 VanDerWaalsContact CD1-CD2 3.47Å; I129-L244 HydrophobicContact CD1-CG 4.28Å; M242-L244 HydrophobicContact CE-CD2 3.69Å; M242-L244 HydrophobicContact CE-CG 4.46Å; L244-L248 HydrophobicContact CD1-CD1 4.5Å; L244-K249 WeakPolarHBondContact CA-O 3.23Å
245D97.9Very high97.5Very high60 Ų6047.4 Ų47.432%0.32126%0.255SS..  trans-76.7176.517880.65.3000112.7C16 T247 L248 K249C16-D245 VanDerWaalsContact CB-O 3.28Å; C16-D245 WeakPolarHBondContact CB-O 3.37Å; D245-T247 PolarHBondContact O-N 2.96Å; D245-T247 VanDerWaalsContact OD1-CA 3.25Å; D245-T247 WeakPolarHBondContact OD1-CA 3.48Å; D245-T247 PolarHBondContact OD1-N 3Å; D245-T247 PolarHBondContact OD1-OG1 3.39Å; D245-T247 PolarHBondContact OD2-OG1 3.46Å; D245-L248 PolarHBondContact O-N 3.43Å; D245-L248 PolarHBondContact OD1-N 2.87Å; D245-L248 VanDerWaalsContact OD1-N 3.1Å; D245-K249 PolarHBondContact N-O 2.97Å; D245-K249 PolarHBondContact OD1-N 3.32Å; D245-K249 WeakPolarHBondContact OD2-CB 3.44Å
246D96.6Very high97.8Very high125 Ų12549.7 Ų49.767%0.66826%0.264SS*.THydrogen-bonded Turntrans-57.6-13.8179.2-56.2-87000114.3P17P17-D246 WeakPolarHBondContact CD-OD1 3.42Å
247T96.4Very high97.8Very high93 Ų9349.7 Ų49.757%0.57125%0.254SS*.THydrogen-bonded Turntrans-115.717.9179.563.40000113D245 K249D245-T247 PolarHBondContact O-N 2.96Å; D245-T247 VanDerWaalsContact OD1-CA 3.25Å; D245-T247 WeakPolarHBondContact OD1-CA 3.48Å; D245-T247 PolarHBondContact OD1-N 3Å; D245-T247 PolarHBondContact OD1-OG1 3.39Å; D245-T247 PolarHBondContact OD2-OG1 3.46Å; T247-K249 PolarHBondContact O-N 3.49Å
248L95.4Very high97.5Very high26 Ų2650 Ų5014%0.13626%0.257CS..  trans65.515.4178-150.369.4000114.2C16 V125 D126 Q128 I129 L244 D245C16-L248 WeakPolarHBondContact SG-CD1 3.36Å; V125-L248 HydrophobicContact CG1-CD1 4.13Å; D126-L248 HydrophobicContact CB-CD1 3.98Å; Q128-L248 HydrophobicContact CB-CD2 3.62Å; Q128-L248 HydrophobicContact CG-CD2 4.22Å; Q128-L248 VanDerWaalsContact OE1-CD2 3.27Å; I129-L248 HydrophobicContact CD1-CD1 3.96Å; I129-L248 HydrophobicContact CD1-CD2 4.32Å; I129-L248 HydrophobicContact CD1-CG 3.89Å; I129-L248 HydrophobicContact CG1-CD1 4.39Å; I129-L248 HydrophobicContact CG1-CD2 4.25Å; I129-L248 HydrophobicContact CG1-CG 4.34Å; L244-L248 HydrophobicContact CD1-CD1 4.5Å; D245-L248 PolarHBondContact O-N 3.43Å; D245-L248 PolarHBondContact OD1-N 2.87Å; D245-L248 VanDerWaalsContact OD1-N 3.1Å
249K97.4Very high96.8Very high139 Ų13952.5 Ų52.560%0.60428%0.278SS*.  trans-74.9138.3171.6-60.6175.1-172.4159.80108.8L244 D245 T247L244-K249 WeakPolarHBondContact CA-O 3.23Å; D245-K249 PolarHBondContact N-O 2.97Å; D245-K249 PolarHBondContact OD1-N 3.32Å; D245-K249 WeakPolarHBondContact OD2-CB 3.44Å; T247-K249 PolarHBondContact O-N 3.49Å
250Y97.1Very high95.5Very high97 Ų9758.5 Ų58.538%0.3830%0.301SS..EExtended strand (participates in β ladder)trans-102.9140.8-178.854.7-102.8000113.2W216 M242 E243 F252W216-Y250 HydrophobicContact CH2-CE1 4.28Å; W216-Y250 HydrophobicContact CH2-CE2 4.12Å; W216-Y250 AromaticContact CH2-CZ 3.95Å; W216-Y250 HydrophobicContact CZ2-CD2 4.02Å; W216-Y250 AromaticContact CZ2-CE2 3.57Å; W216-Y250 HydrophobicContact CZ2-CE2 3.57Å; W216-Y250 AromaticContact CZ2-CZ 3.86Å; M242-Y250 HydrophobicContact CE-CD1 4Å; M242-Y250 HydrophobicContact CE-CG 3.7Å; E243-Y250 CarbonylContact O-C 3.6Å; E243-Y250 VanDerWaalsContact O-CA 3.24Å; E243-Y250 WeakPolarHBondContact O-CA 3.36Å; Y250-F252 AromaticContact CD2-CE2 3.84Å; Y250-F252 HydrophobicContact CD2-CE2 3.84Å; Y250-F252 HydrophobicContact CE2-CE2 4.35Å
251S98.1Very high93.4Very high56 Ų5670.2 Ų70.239%0.39235%0.345SS..EExtended strand (participates in β ladder)trans-132.3148.4164.746.60000110.5M242 E243M242-S251 CarbonylContact C-O 3.09Å; M242-S251 WeakPolarHBondContact CA-O 3.43Å; E243-S251 PolarHBondContact N-O 3.14Å; E243-S251 PolarHBondContact O-N 2.95Å
252F98.7Very high91.4Very high38 Ų3873.9 Ų73.917%0.16738%0.383CS..EExtended strand (participates in β ladder)trans-106.9135.1176.5-64.1-89.8000109.9Y214 W216 V223 I225 I241 M242 Y250Y214-F252 HydrophobicContact CD1-CB 4.05Å; Y214-F252 HydrophobicContact CD1-CD1 4.05Å; Y214-F252 HydrophobicContact CD1-CG 4.1Å; Y214-F252 AromaticContact CD2-CD1 3.73Å; Y214-F252 HydrophobicContact CD2-CD1 3.73Å; Y214-F252 HydrophobicContact CD2-CD2 4.1Å; Y214-F252 AromaticContact CD2-CE1 3.83Å; Y214-F252 HydrophobicContact CD2-CE1 3.83Å; Y214-F252 HydrophobicContact CD2-CE2 4.22Å; Y214-F252 AromaticContact CD2-CG 3.88Å; Y214-F252 HydrophobicContact CD2-CG 3.88Å; Y214-F252 HydrophobicContact CD2-CZ 4.1Å; Y214-F252 HydrophobicContact CE1-CB 3.92Å; Y214-F252 HydrophobicContact CE1-CG 4.17Å; Y214-F252 HydrophobicContact CE2-CD1 4.3Å; Y214-F252 AromaticContact CE2-CD2 3.9Å; Y214-F252 HydrophobicContact CE2-CD2 3.9Å; Y214-F252 HydrophobicContact CE2-CE2 4.22Å; Y214-F252 AromaticContact CE2-CG 3.97Å; Y214-F252 HydrophobicContact CE2-CG 3.97Å; Y214-F252 HydrophobicContact CG-CB 4.41Å; Y214-F252 AromaticContact CG-CD1 3.59Å; Y214-F252 HydrophobicContact CG-CD1 3.59Å; Y214-F252 HydrophobicContact CG-CE1 4Å; Y214-F252 AromaticContact CG-CG 3.95Å; Y214-F252 HydrophobicContact CG-CG 3.95Å; W216-F252 AromaticContact CE2-CE2 3.88Å; W216-F252 AromaticContact CE2-CZ 3.91Å; W216-F252 HydrophobicContact CH2-CZ 4.42Å; W216-F252 AromaticContact CZ2-CE2 3.58Å; W216-F252 HydrophobicContact CZ2-CE2 3.58Å; W216-F252 AromaticContact CZ2-CZ 3.52Å; W216-F252 HydrophobicContact CZ2-CZ 3.52Å; W216-F252 AromaticContact NE1-CE2 3.68Å; W216-F252 AromaticContact NE1-CZ 3.99Å; V223-F252 HydrophobicContact CG2-CE1 3.92Å; V223-F252 HydrophobicContact CG2-CZ 3.83Å; I225-F252 HydrophobicContact CD1-CE1 4.4Å; I225-F252 HydrophobicContact CG1-CE1 4.26Å; I241-F252 WeakPolarHBondContact O-CA 3.02Å; M242-F252 HydrophobicContact CB-CD1 3.95Å; M242-F252 HydrophobicContact CB-CE1 3.69Å; M242-F252 HydrophobicContact CB-CZ 4.39Å; M242-F252 HydrophobicContact CE-CZ 4.38Å; M242-F252 HydrophobicContact CG-CD1 4.28Å; M242-F252 HydrophobicContact CG-CE1 3.74Å; M242-F252 HydrophobicContact CG-CZ 3.93Å; M242-F252 HydrophobicContact SD-CE1 3.98Å; M242-F252 HydrophobicContact SD-CZ 3.92Å; Y250-F252 AromaticContact CD2-CE2 3.84Å; Y250-F252 HydrophobicContact CD2-CE2 3.84Å; Y250-F252 HydrophobicContact CE2-CE2 4.35Å
253L98.6Very high89.1Confident54 Ų5477.9 Ų77.928%0.28340%0.401SS..EExtended strand (participates in β ladder)trans-113.5115.3170-57.5179.3000108I37 A240 I241 E243I37-L253 HydrophobicContact CG2-CB 3.85Å; I37-L253 HydrophobicContact CG2-CD1 3.76Å; I37-L253 HydrophobicContact CG2-CG 4.44Å; A240-L253 CarbonylContact C-O 3.54Å; A240-L253 VanDerWaalsContact CA-O 3.25Å; A240-L253 WeakPolarHBondContact CA-O 2.79Å; I241-L253 HydrophobicContact CD1-CB 4.33Å; I241-L253 HydrophobicContact CD1-CD1 4.31Å; I241-L253 HydrophobicContact CG1-CB 3.87Å; I241-L253 PolarHBondContact N-O 3.28Å; I241-L253 PolarHBondContact O-N 3.49Å; E243-L253 VanDerWaalsContact CD-CD1 3.48Å; E243-L253 HydrophobicContact CG-CD1 4.24Å; E243-L253 WeakPolarHBondContact OE1-CD1 3.16Å
254Q98.6Very high86.4Confident82 Ų8280.2 Ų80.238%0.38342%0.421SS..EExtended strand (participates in β ladder)trans-93150176.6-65.2172.2-85.500110.8E212 Y214 A239 A240E212-Q254 PolarHBondContact O-NE2 3.16Å; Y214-Q254 HydrophobicContact CD1-CG 4.07Å; Y214-Q254 HydrophobicContact CE1-CG 3.92Å; A239-Q254 CarbonylContact O-C 3.58Å; A239-Q254 WeakPolarHBondContact O-CA 3.42Å; A240-Q254 HydrophobicContact CB-CG 4.23Å
255F98.3Very high83.7Confident11 Ų1188.5 Ų88.55%0.04846%0.459CS..EExtended strand (participates in β ladder)trans-152.5152.9177.264.3-80.9000114.3E33 L34 I37 P229 A239 I241E33-F255 HydrophobicContact CG-CD2 4.23Å; L34-F255 HydrophobicContact CB-CZ 4.01Å; L34-F255 HydrophobicContact CD1-CZ 4.32Å; L34-F255 HydrophobicContact CG-CZ 4.39Å; I37-F255 HydrophobicContact CD1-CB 3.19Å; I37-F255 HydrophobicContact CD1-CD1 3.73Å; I37-F255 HydrophobicContact CD1-CD2 3.82Å; I37-F255 HydrophobicContact CD1-CG 3.31Å; P229-F255 HydrophobicContact CG-CD2 4.23Å; P229-F255 HydrophobicContact CG-CE2 3.93Å; A239-F255 HydrophobicContact CB-CD1 3.95Å; A239-F255 HydrophobicContact CB-CD2 4.05Å; A239-F255 HydrophobicContact CB-CE1 3.5Å; A239-F255 VanDerWaalsContact CB-CE1 3.5Å; A239-F255 HydrophobicContact CB-CE2 3.63Å; A239-F255 HydrophobicContact CB-CG 4.2Å; A239-F255 HydrophobicContact CB-CZ 3.32Å; A239-F255 PolarHBondContact N-O 3.49Å; A239-F255 PolarHBondContact O-N 3.18Å; I241-F255 HydrophobicContact CG2-CE1 4.36Å
256D97.2Very high81.2Confident99 Ų9989.9 Ų89.953%0.52947%0.47SS..PPolyproline II helixtrans-93.3168.8177.3-64.9-39.4000111Q238Q238-D256 PolarHBondContact NE2-OD1 2.94Å
257P95.4Very high78.6Confident50 Ų5090.3 Ų90.333%0.32548%0.477SS..PPolyproline II helixtrans-56.9143.7179-23.433.6000113D30 P229 N230D30-P257 WeakPolarHBondContact OD1-CA 3.37Å; P229-P257 HydrophobicContact CB-CB 4.49Å; P229-P257 HydrophobicContact CB-CG 3.91Å; P229-P257 HydrophobicContact CG-CB 4.31Å; P229-P257 HydrophobicContact CG-CG 4.25Å; N230-P257 HydrophobicContact CB-CG 3.46Å; N230-P257 VanDerWaalsContact CB-CG 3.46Å
258A91.8Very high76.4Confident9 Ų995.2 Ų95.27%0.07449%0.485CS..PPolyproline II helixtrans-57.3141178.300000110.9H29 D30 E33 R260H29-A258 HydrophobicContact CB-CB 4.3Å; H29-A258 WeakPolarHBondContact O-CB 3.1Å; D30-A258 WeakPolarHBondContact OD1-CB 3.23Å; D30-A258 PolarHBondContact OD1-N 3.22Å; E33-A258 HydrophobicContact CB-CB 4.09Å; A258-R260 PolarHBondContact O-N 3.29Å
259P83.4Confident74.3Confident104 Ų104103.8 Ų103.868%0.67552%0.516SS*.PPolyproline II helixtrans-59.9116178.7-2129.9000111.6R261P259-R261 PolarHBondContact O-N 3.49Å; P259-R261 VanDerWaalsContact O-N 3.13Å
260R70.3Confident72.5Confident125 Ų125101.2 Ų101.247%0.47251%0.512SS..  trans-81.192.4175.2-61.4-173.2-172.5-169.25.7110.2A258 G262 E263A258-R260 PolarHBondContact O-N 3.29Å; R260-G262 PolarHBondContact O-N 3Å; R260-G262 VanDerWaalsContact O-N 3.14Å; R260-E263 IonicContact NH1-OE2 3.84Å
261R55Low71Confident247 Ų24798.1 Ų98.193%0.93250%0.504SS*.  trans-74.1102.6170.2-80-170.2174.4-169.51110.1P259P259-R261 PolarHBondContact O-N 3.49Å; P259-R261 VanDerWaalsContact O-N 3.13Å
262G56.7Low69.4Low77 Ų77100.4 Ų100.479%0.79451%0.512SS*.SBendtrans76.726.2160.300000117R260R260-G262 PolarHBondContact O-N 3Å; R260-G262 VanDerWaalsContact O-N 3.14Å
263E50.8Low68.1Low84 Ų84101.3 Ų101.339%0.39351%0.514SS..  trans-67.5130.6169.8-76.4-166.915200110.3R260 H265R260-E263 IonicContact NH1-OE2 3.84Å; E263-H265 PolarHBondContact O-N 3.34Å
264P42.6Very low66Low104 Ų10499 Ų9968%0.67550%0.502SS*.  trans-54.8141.6168-16.128000108.3V266P264-V266 VanDerWaalsContact C-N 3.29Å; P264-V266 PolarHBondContact O-N 3.17Å
265H42.2Very low63.6Low178 Ų178102.8 Ų102.882%0.82452%0.524SS*.  trans-51.5102.3159.6-98.612.7000107.5E263 T267E263-H265 PolarHBondContact O-N 3.34Å; H265-T267 HydrophobicContact CB-CG2 4.24Å; H265-T267 PolarHBondContact O-N 2.81Å
266V44.4Very low61.8Low90 Ų90107.4 Ų107.455%0.54555%0.548SS..  trans-69.787.7167.5-179.80000104.6P264 R268P264-V266 VanDerWaalsContact C-N 3.29Å; P264-V266 PolarHBondContact O-N 3.17Å; V266-R268 HydrophobicContact CG1-CB 3.82Å; V266-R268 HydrophobicContact CG1-CG 4.03Å; V266-R268 PolarHBondContact O-N 2.86Å
267T42.2Very low60Low133 Ų133107.8 Ų107.882%0.81655%0.549SS*.  trans-69.831.7171.953.10000111.5H265H265-T267 HydrophobicContact CB-CG2 4.24Å; H265-T267 PolarHBondContact O-N 2.81Å
268R49.5Very low58Low196 Ų196111 Ų11174%0.7456%0.561SS**SBendtrans-88.1129.3169.8-73.1-175.8164.7177.8-4.5107.2V266 T270V266-R268 HydrophobicContact CG1-CB 3.82Å; V266-R268 HydrophobicContact CG1-CG 4.03Å; V266-R268 PolarHBondContact O-N 2.86Å; R268-T270 PolarHBondContact O-N 3.14Å; R268-T270 VanDerWaalsContact O-N 3.14Å
269R53Low56Low206 Ų206117 Ų11778%0.77759%0.59SS**  trans-35.2120.7167.7-178.6177.2174.2-176.2-5108.9P271 D272R269-P271 WeakPolarHBondContact O-CD 3.22Å; R269-P271 VanDerWaalsContact O-N 3.1Å; R269-D272 IonicContact NH2-OD1 3.9Å
270T59Low54.3Low86 Ų86117.8 Ų117.853%0.52858%0.584SS.*  trans-46.8117.4175.5-52.50000108.3R268 D272 F274R268-T270 PolarHBondContact O-N 3.14Å; R268-T270 VanDerWaalsContact O-N 3.14Å; T270-D272 PolarHBondContact O-N 2.98Å; T270-F274 HydrophobicContact CG2-CB 3.8Å; T270-F274 HydrophobicContact CG2-CD2 3.75Å; T270-F274 HydrophobicContact CG2-CG 4.22Å
271P64.8Low53.2Low32 Ų32117.3 Ų117.321%0.20859%0.592CS.*  trans-48.5139.2175.7-3030.4000112.2Y57 R269 Y273 F274Y57-P271 HydrophobicContact CE1-CG 4.49Å; R269-P271 WeakPolarHBondContact O-CD 3.22Å; R269-P271 VanDerWaalsContact O-N 3.1Å; P271-Y273 HydrophobicContact CB-CD1 3.92Å; P271-Y273 HydrophobicContact CB-CD2 4.24Å; P271-Y273 HydrophobicContact CB-CE1 3.5Å; P271-Y273 VanDerWaalsContact CB-CE1 3.5Å; P271-Y273 HydrophobicContact CB-CE2 3.82Å; P271-Y273 HydrophobicContact CB-CG 4.28Å; P271-Y273 VanDerWaalsContact CB-CZ 3.42Å; P271-Y273 HydrophobicContact CG-CE1 4.37Å; P271-Y273 HydrophobicContact CG-CE2 4.42Å; P271-Y273 PolarHBondContact O-N 2.94Å; P271-Y273 VanDerWaalsContact O-N 3.15Å; P271-F274 HydrophobicContact CB-CD2 3.79Å; P271-F274 HydrophobicContact CB-CE2 4.02Å; P271-F274 VanDerWaalsContact CD-CD2 3.46Å; P271-F274 HydrophobicContact CG-CD2 3.77Å; P271-F274 HydrophobicContact CG-CE2 3.57Å; P271-F274 WeakPolarHBondContact O-CB 3.26Å; P271-F274 PolarHBondContact O-N 3.15Å
272D66.2Low53.1Low104 Ų104108.1 Ų108.156%0.55657%0.567SS**G310 helixtrans-63.2-23.5-174.6-65.7-29.8000112.1R269 T270 F274 L275R269-D272 IonicContact NH2-OD1 3.9Å; T270-D272 PolarHBondContact O-N 2.98Å; D272-F274 PolarHBondContact O-N 3.17Å; D272-L275 HydrophobicContact CB-CD1 4.5Å; D272-L275 VanDerWaalsContact O-CB 3.28Å; D272-L275 WeakPolarHBondContact O-CB 3.28Å; D272-L275 PolarHBondContact O-N 3.48Å
273Y69.9Low52.8Low57 Ų57110.5 Ų110.522%0.22455%0.55CS.*G310 helixtrans-77.43.2173.761.3-106.6000114.3R55 P271 L275R55-Y273 WeakPolarHBondContact CD-O 3.33Å; R55-Y273 PolarHBondContact NH1-O 3.31Å; P271-Y273 HydrophobicContact CB-CD1 3.92Å; P271-Y273 HydrophobicContact CB-CD2 4.24Å; P271-Y273 HydrophobicContact CB-CE1 3.5Å; P271-Y273 VanDerWaalsContact CB-CE1 3.5Å; P271-Y273 HydrophobicContact CB-CE2 3.82Å; P271-Y273 HydrophobicContact CB-CG 4.28Å; P271-Y273 VanDerWaalsContact CB-CZ 3.42Å; P271-Y273 HydrophobicContact CG-CE1 4.37Å; P271-Y273 HydrophobicContact CG-CE2 4.42Å; P271-Y273 PolarHBondContact O-N 2.94Å; P271-Y273 VanDerWaalsContact O-N 3.15Å; Y273-L275 VanDerWaalsContact C-N 3.28Å
274F54.2Low53Low4 Ų4112.7 Ų112.72%0.01856%0.563CS.*G310 helixtrans-89.14.3164-70.8-54.5000112.8R55 Y57 C232 Y233 R234 T270 P271 D272R55-F274 HydrophobicContact CB-CD1 4.34Å; R55-F274 HydrophobicContact CB-CE1 4.23Å; R55-F274 WeakPolarHBondContact O-CE1 3.21Å; R55-F274 WeakPolarHBondContact O-CZ 3.43Å; Y57-F274 HydrophobicContact CD1-CZ 4.34Å; Y57-F274 AromaticContact CE1-CE2 3.77Å; Y57-F274 HydrophobicContact CE1-CE2 3.77Å; Y57-F274 AromaticContact CE1-CZ 3.79Å; Y57-F274 HydrophobicContact CE1-CZ 3.79Å; Y57-F274 HydrophobicContact CE2-CZ 4.29Å; Y57-F274 AromaticContact CZ-CE2 3.67Å; Y57-F274 AromaticContact CZ-CZ 3.77Å; Y57-F274 WeakPolarHBondContact OH-CE2 3.39Å; C232-F274 HydrophobicContact CB-CB 4.43Å; C232-F274 HydrophobicContact CB-CD1 3.78Å; C232-F274 HydrophobicContact CB-CE1 4.49Å; Y233-F274 HydrophobicContact CD2-CE1 4.21Å; Y233-F274 HydrophobicContact CD2-CZ 4.08Å; Y233-F274 AromaticContact CE2-CE1 3.97Å; Y233-F274 HydrophobicContact CE2-CE1 3.97Å; Y233-F274 AromaticContact CE2-CZ 3.7Å; Y233-F274 HydrophobicContact CE2-CZ 3.7Å; R234-F274 WeakPolarHBondContact CD-O 3.44Å; R234-F274 PolarHBondContact NH1-O 3.24Å; T270-F274 HydrophobicContact CG2-CB 3.8Å; T270-F274 HydrophobicContact CG2-CD2 3.75Å; T270-F274 HydrophobicContact CG2-CG 4.22Å; P271-F274 HydrophobicContact CB-CD2 3.79Å; P271-F274 HydrophobicContact CB-CE2 4.02Å; P271-F274 VanDerWaalsContact CD-CD2 3.46Å; P271-F274 HydrophobicContact CG-CD2 3.77Å; P271-F274 HydrophobicContact CG-CE2 3.57Å; P271-F274 WeakPolarHBondContact O-CB 3.26Å; P271-F274 PolarHBondContact O-N 3.15Å; D272-F274 PolarHBondContact O-N 3.17Å
275L48Very low53.9Low162 Ų162113.5 Ų113.585%0.84855%0.553SS**  trans-890172-65.5158.9000111.4R55 R234 D272 Y273R55-L275 PolarHBondContact NH1-O 3Å; R234-L275 VanDerWaalsContact NH1-CD2 3.32Å; D272-L275 HydrophobicContact CB-CD1 4.5Å; D272-L275 VanDerWaalsContact O-CB 3.28Å; D272-L275 WeakPolarHBondContact O-CB 3.28Å; D272-L275 PolarHBondContact O-N 3.48Å; Y273-L275 VanDerWaalsContact C-N 3.28Å

Retrieved 275 of 275 residues in 76 ms (Link to these results)

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