A0A077ZNB1_TRITR Loading...

Thioredoxin reductase

AlphaFold DB , UniProt , Accession A0A077ZNB1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 309 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
1M48.9Very low84.7Confident117 Ų11760.2 Ų60.258%0.57631%0.314SS*.  0153.20-72.8-177.5-122.600109.1N3 R79 E81 F104M1-N3 PolarHBondContact O-N 3.09Å; M1-N3 VanDerWaalsContact O-N 3.11Å; M1-R79 PolarHBondContact SD-NH2 3.33Å; M1-E81 VanDerWaalsContact CE-CD 3.4Å; M1-E81 HydrophobicContact CE-CG 4.11Å; M1-E81 WeakPolarHBondContact CE-OE1 3.32Å; M1-F104 HydrophobicContact CE-CZ 3.97Å; M1-F104 HydrophobicContact SD-CE1 4.04Å; M1-F104 HydrophobicContact SD-CZ 3.69Å
2N52.9Low85.9Confident133 Ų13355.8 Ų55.871%0.71129%0.291SS*.  trans-72.4104.2173.1-158.26.4000107.5N4 H5N2-N4 PolarHBondContact O-N 3.25Å; N2-H5 PolarHBondContact O-N 2.73Å
3N65Low86.8Confident103 Ų10352.2 Ų52.255%0.55128%0.277SS*.THydrogen-bonded Turntrans-58.9-5.7-175.6-100.84.8000114.5M1 R105M1-N3 PolarHBondContact O-N 3.09Å; M1-N3 VanDerWaalsContact O-N 3.11Å; N3-R105 PolarHBondContact O-NH1 3.22Å
4N82Confident87.6Confident130 Ų13048.5 Ų48.570%0.69526%0.257SS*.THydrogen-bonded Turntrans-106.13.2178.8-77.71.1000114.2N2 V6N2-N4 PolarHBondContact O-N 3.25Å; N4-V6 PolarHBondContact O-N 3.21Å
5H94.8Very high88.3Confident77 Ų7746 Ų4636%0.35625%0.247SC..  trans-68.4132.2176.4-168.369.2000110.9N2 Y7 D31N2-H5 PolarHBondContact O-N 2.73Å; H5-Y7 AromaticContact CD2-CD1 3.78Å; H5-Y7 AromaticContact CD2-CD2 3.74Å; H5-Y7 AromaticContact CD2-CE1 3.6Å; H5-Y7 AromaticContact CD2-CE2 3.57Å; H5-Y7 AromaticContact CD2-CG 3.86Å; H5-Y7 AromaticContact CD2-CZ 3.5Å; H5-Y7 AromaticContact NE2-CD1 3.76Å; H5-Y7 AromaticContact NE2-CE1 3.76Å; H5-D31 IonicContact CD2-OD2 2.98Å; H5-D31 IonicContact CE1-OD2 2.77Å; H5-D31 PolarHBondContact CE1-OD2 3.19Å; H5-D31 IonicContact NE2-OD2 3.3Å; H5-D31 PolarHBondContact NE2-OD2 3.03Å
6V96.7Very high88.9Confident55 Ų5544.1 Ų44.133%0.33324%0.238SC..EExtended strand (participates in β ladder)trans-116.1110.6177.7-178.20000107.9N4 P94 R105 K107N4-V6 PolarHBondContact O-N 3.21Å; V6-P94 HydrophobicContact CG1-CB 3.71Å; V6-P94 HydrophobicContact CG1-CG 3.86Å; V6-P94 HydrophobicContact CG2-CG 4.01Å; V6-R105 HydrophobicContact CG2-CB 4.16Å; V6-K107 HydrophobicContact CG1-CG 4.38Å
7Y97.6Very high89.4Confident18 Ų1841.7 Ų41.77%0.07123%0.226CC..EExtended strand (participates in β ladder)trans-73.3154.7176.7-65.2-87.1000110.7H5 M9 L10 V33 F104 R105 G106 K107H5-Y7 AromaticContact CD2-CD1 3.78Å; H5-Y7 AromaticContact CD2-CD2 3.74Å; H5-Y7 AromaticContact CD2-CE1 3.6Å; H5-Y7 AromaticContact CD2-CE2 3.57Å; H5-Y7 AromaticContact CD2-CG 3.86Å; H5-Y7 AromaticContact CD2-CZ 3.5Å; H5-Y7 AromaticContact NE2-CD1 3.76Å; H5-Y7 AromaticContact NE2-CE1 3.76Å; Y7-M9 VanDerWaalsContact C-N 3.32Å; Y7-L10 HydrophobicContact CD2-CD2 3.58Å; Y7-L10 HydrophobicContact CE2-CD2 4.41Å; Y7-L10 HydrophobicContact CG-CD2 3.9Å; Y7-V33 HydrophobicContact CD1-CB 4.06Å; Y7-V33 HydrophobicContact CD1-CG1 3.82Å; Y7-V33 HydrophobicContact CD2-CG1 3.72Å; Y7-V33 HydrophobicContact CE1-CB 3.74Å; Y7-V33 HydrophobicContact CE1-CG1 3.82Å; Y7-V33 HydrophobicContact CE2-CB 4.37Å; Y7-V33 HydrophobicContact CE2-CG1 3.7Å; Y7-V33 HydrophobicContact CG-CB 4.5Å; Y7-V33 HydrophobicContact CG-CG1 3.77Å; Y7-F104 HydrophobicContact CD2-CD1 4.4Å; Y7-F104 AromaticContact CE2-CD1 3.72Å; Y7-F104 HydrophobicContact CE2-CD1 3.72Å; Y7-F104 HydrophobicContact CE2-CE1 4.14Å; Y7-R105 PolarHBondContact N-O 3.14Å; Y7-G106 CarbonylContact O-C 3.35Å; Y7-G106 VanDerWaalsContact O-CA 3.26Å; Y7-G106 WeakPolarHBondContact O-CA 3.13Å; Y7-K107 PolarHBondContact O-N 3.25Å
8D97.8Very high89.9Confident29 Ų2939.4 Ų39.416%0.15521%0.213CC..EExtended strand (participates in β ladder)trans-71.3-35.6168.8-68.4-48000110.4L30 D31 K107 T108 I305D8-L30 HydrophobicContact CB-CB 3.91Å; D8-L30 HydrophobicContact CB-CD2 4.12Å; D8-D31 PolarHBondContact N-O 3.01Å; D8-D31 PolarHBondContact OD2-N 3.01Å; D8-K107 WeakPolarHBondContact OD1-CD 3.36Å; D8-K107 WeakPolarHBondContact OD1-CE 3.34Å; D8-K107 IonicContact OD1-NZ 2.71Å; D8-K107 PolarHBondContact OD1-NZ 2.81Å; D8-T108 PolarHBondContact O-N 2.93Å; D8-T108 PolarHBondContact O-OG1 2.83Å; D8-I305 HydrophobicContact CB-CD1 4.34Å
9M98.5Very high90.4Very high0 Ų037.5 Ų37.50%020%0.203CC..EExtended strand (participates in β ladder)trans-141131.3179.9-177.2171.6-73.300112.3Y7 V11 A25 L30 D31 T32 V33 T108 V110 V298 A301Y7-M9 VanDerWaalsContact C-N 3.32Å; M9-V11 HydrophobicContact CG-CG2 4.02Å; M9-V11 HydrophobicContact SD-CG2 4.05Å; M9-A25 HydrophobicContact CE-CB 4.44Å; M9-A25 HydrophobicContact SD-CB 3.73Å; M9-L30 HydrophobicContact CE-CD1 4.49Å; M9-D31 PolarHBondContact N-O 3.12Å; M9-T32 HydrophobicContact CB-CG2 4.13Å; M9-T32 HydrophobicContact CG-CG2 4.27Å; M9-T32 WeakPolarHBondContact O-CA 3.23Å; M9-V33 PolarHBondContact O-N 3.35Å; M9-T108 WeakPolarHBondContact CA-OG1 3.44Å; M9-T108 WeakPolarHBondContact CB-OG1 3.47Å; M9-V110 HydrophobicContact CE-CG2 3.9Å; M9-V110 HydrophobicContact CG-CG2 4.18Å; M9-V110 HydrophobicContact SD-CG2 3.62Å; M9-V298 HydrophobicContact CE-CG2 4.27Å; M9-V298 HydrophobicContact SD-CG2 4.29Å; M9-A301 HydrophobicContact CE-CB 3.35Å
10L98.7Very high90.8Very high0 Ų036.2 Ų36.20%020%0.196CC..EExtended strand (participates in β ladder)trans-103.8124.4165.7-58.6177.3000109Y7 V33 L97 F104 T108 V109 V110Y7-L10 HydrophobicContact CD2-CD2 3.58Å; Y7-L10 HydrophobicContact CE2-CD2 4.41Å; Y7-L10 HydrophobicContact CG-CD2 3.9Å; L10-V33 HydrophobicContact CD2-CG1 3.31Å; L10-L97 HydrophobicContact CB-CD1 4.35Å; L10-L97 HydrophobicContact CD1-CD1 3.26Å; L10-L97 HydrophobicContact CD1-CG 4.37Å; L10-L97 HydrophobicContact CG-CD1 4.42Å; L10-F104 HydrophobicContact CD1-CB 4.12Å; L10-F104 HydrophobicContact CD2-CB 4.14Å; L10-T108 PolarHBondContact N-O 3.18Å; L10-V109 HydrophobicContact CB-CG2 4.29Å; L10-V109 CarbonylContact O-C 3.43Å; L10-V109 VanDerWaalsContact O-CA 3.29Å; L10-V109 WeakPolarHBondContact O-CA 3.45Å; L10-V110 PolarHBondContact O-N 3.37Å
11V98.8Very high91.2Very high0 Ų034.4 Ų34.40%019%0.187CC..EExtended strand (participates in β ladder)trans-105.7120.1174.6-178.40000108.9M9 A21 A22 T32 V33 V34 L35 V110 A112M9-V11 HydrophobicContact CG-CG2 4.02Å; M9-V11 HydrophobicContact SD-CG2 4.05Å; V11-A21 HydrophobicContact CG2-CB 4.47Å; V11-A22 HydrophobicContact CG2-CB 4.31Å; V11-T32 HydrophobicContact CG2-CG2 4Å; V11-V33 PolarHBondContact N-O 3.12Å; V11-V34 HydrophobicContact CB-CG2 4.12Å; V11-V34 HydrophobicContact CG1-CG2 4.42Å; V11-V34 CarbonylContact O-C 3.57Å; V11-V34 WeakPolarHBondContact O-CA 3.37Å; V11-L35 PolarHBondContact O-N 3.24Å; V11-V110 HydrophobicContact CG1-CB 4.47Å; V11-V110 HydrophobicContact CG2-CB 4.3Å; V11-A112 HydrophobicContact CG1-CB 4.46Å
12V98.7Very high93.6Very high7 Ų728.9 Ų28.94%0.04216%0.159CC..EExtended strand (participates in β ladder)trans-98.8105179.8-173.80000109.6V85 L97 V109 V110 L111 A112 T113V12-V85 HydrophobicContact CG1-CB 4.18Å; V12-V85 HydrophobicContact CG1-CG2 3.72Å; V12-V85 HydrophobicContact CG2-CG2 4.2Å; V12-L97 HydrophobicContact CG2-CD2 3.31Å; V12-V109 HydrophobicContact CG2-CG1 4.22Å; V12-V110 PolarHBondContact N-O 2.91Å; V12-L111 HydrophobicContact CB-CD2 4.23Å; V12-L111 HydrophobicContact CG2-CD2 4.09Å; V12-A112 CarbonylContact O-C 3.57Å; V12-A112 VanDerWaalsContact O-CA 3.23Å; V12-A112 WeakPolarHBondContact O-CA 3.36Å; V12-A112 WeakPolarHBondContact O-CB 3.5Å; V12-A112 PolarHBondContact O-N 2.84Å; V12-T113 HydrophobicContact CB-CG2 4.47Å; V12-T113 HydrophobicContact CG1-CG2 3.77Å; V12-T113 PolarHBondContact O-N 2.88Å
13G98.3Very high95.7Very high10 Ų1023.4 Ų23.410%0.10313%0.13CC..  trans105.2124.2-179.100000113.2G15 G18 L35G13-G15 VanDerWaalsContact C-N 3.29Å; G13-G15 PolarHBondContact O-N 3.08Å; G13-G18 WeakPolarHBondContact O-CA 3.48Å; G13-L35 PolarHBondContact N-O 2.61Å
14G97.8Very high97.3Very high0 Ų023.9 Ų23.90%013%0.125CC..  trans-89.838178.200000113.5Y19 E36 G41G14-Y19 WeakPolarHBondContact O-CD2 3.35Å; G14-Y19 WeakPolarHBondContact O-CE2 3.32Å; G14-E36 WeakPolarHBondContact CA-OE2 3.45Å; G14-E36 PolarHBondContact N-OE2 2.78Å; G14-G41 WeakPolarHBondContact O-CA 3.46Å; G14-G41 PolarHBondContact O-N 2.85Å
15G97.4Very high98.1Very high11 Ų1117.7 Ų17.711%0.1139%0.092CC..SBendtrans-78.3-176.6170.700000112.7G13 G17 G18 Y19G13-G15 VanDerWaalsContact C-N 3.29Å; G13-G15 PolarHBondContact O-N 3.08Å; G15-G17 VanDerWaalsContact C-N 3.31Å; G15-G17 PolarHBondContact O-N 3.15Å; G15-G18 PolarHBondContact O-N 3.45Å; G15-G18 VanDerWaalsContact O-N 3.13Å; G15-Y19 PolarHBondContact O-N 2.97Å
16P98Very high98.3Very high16 Ų1614.8 Ų14.810%0.1048%0.081CC..Hα-helixtrans-56.3-41.8177.9-26.935.6000113.6T20 M44 M69 V287 A290 V291P16-T20 VanDerWaalsContact O-CB 3.29Å; P16-T20 WeakPolarHBondContact O-CB 3.34Å; P16-T20 PolarHBondContact O-N 2.94Å; P16-T20 VanDerWaalsContact O-N 3.09Å; P16-T20 PolarHBondContact O-OG1 3.28Å; P16-M44 HydrophobicContact CG-CB 4.04Å; P16-M44 HydrophobicContact CG-CE 3.92Å; P16-M44 HydrophobicContact CG-CG 4.44Å; P16-M44 HydrophobicContact CG-SD 3.57Å; P16-M44 VanDerWaalsContact CG-SD 3.57Å; P16-M69 HydrophobicContact CB-CE 4.19Å; P16-M69 HydrophobicContact CB-SD 3.9Å; P16-M69 HydrophobicContact CG-SD 4.34Å; P16-V287 HydrophobicContact CB-CG1 3.98Å; P16-V287 HydrophobicContact CG-CG1 4.07Å; P16-A290 HydrophobicContact CB-CB 4.38Å; P16-V291 HydrophobicContact CB-CG2 3.99Å
17G98.3Very high98.3Very high3 Ų319.6 Ų19.63%0.0319%0.093CC..Hα-helixtrans-68.3-39.3176.600000113.1G15 T20 A21 A290 G294G15-G17 VanDerWaalsContact C-N 3.31Å; G15-G17 PolarHBondContact O-N 3.15Å; G17-T20 PolarHBondContact O-N 3.28Å; G17-A21 WeakPolarHBondContact O-CB 3.32Å; G17-A21 PolarHBondContact O-N 3.37Å; G17-A290 WeakPolarHBondContact CA-O 3.5Å; G17-G294 WeakPolarHBondContact O-CA 3.18Å
18G98.6Very high98.3Very high0 Ų020.6 Ų20.60%011%0.105CC..Hα-helixtrans-66.6-51179.100000112.8G13 G15 T20 A21 A22G13-G18 WeakPolarHBondContact O-CA 3.48Å; G15-G18 PolarHBondContact O-N 3.45Å; G15-G18 VanDerWaalsContact O-N 3.13Å; G18-T20 VanDerWaalsContact C-N 3.28Å; G18-T20 PolarHBondContact O-N 3.47Å; G18-A21 WeakPolarHBondContact O-CB 3.41Å; G18-A21 PolarHBondContact O-N 2.98Å; G18-A22 PolarHBondContact O-N 2.97Å
19Y98.6Very high98.3Very high3 Ų322.2 Ų22.21%0.01213%0.129CC..Hα-helixtrans-66.9-29.9176.9-80.6-59.1000113.1G14 G15 A22 L23 V34 A40 Q70 A73G14-Y19 WeakPolarHBondContact O-CD2 3.35Å; G14-Y19 WeakPolarHBondContact O-CE2 3.32Å; G15-Y19 PolarHBondContact O-N 2.97Å; Y19-A22 PolarHBondContact O-N 3.13Å; Y19-L23 VanDerWaalsContact O-CB 3.26Å; Y19-L23 WeakPolarHBondContact O-CB 3.49Å; Y19-L23 PolarHBondContact O-N 2.78Å; Y19-V34 HydrophobicContact CD1-CG2 4.24Å; Y19-V34 HydrophobicContact CE1-CB 4.39Å; Y19-V34 HydrophobicContact CE1-CG1 4.18Å; Y19-V34 HydrophobicContact CE1-CG2 4.17Å; Y19-A40 HydrophobicContact CD2-CB 4.42Å; Y19-A40 HydrophobicContact CE2-CB 3.42Å; Y19-A40 VanDerWaalsContact CE2-CB 3.42Å; Y19-Q70 HydrophobicContact CD1-CB 4.34Å; Y19-Q70 HydrophobicContact CD2-CB 4.4Å; Y19-Q70 HydrophobicContact CE1-CB 3.88Å; Y19-Q70 HydrophobicContact CE1-CG 3.81Å; Y19-Q70 HydrophobicContact CE2-CB 3.93Å; Y19-Q70 HydrophobicContact CE2-CG 4.43Å; Y19-Q70 WeakPolarHBondContact OH-CG 3.4Å; Y19-A73 HydrophobicContact CD1-CB 4.01Å
20T98.7Very high98.2Very high11 Ų1123.2 Ų23.27%0.06713%0.134CC..Hα-helixtrans-67-45.4171.7-560000111.2P16 G17 G18 A22 L23 Y24 V291 A295P16-T20 VanDerWaalsContact O-CB 3.29Å; P16-T20 WeakPolarHBondContact O-CB 3.34Å; P16-T20 PolarHBondContact O-N 2.94Å; P16-T20 VanDerWaalsContact O-N 3.09Å; P16-T20 PolarHBondContact O-OG1 3.28Å; G17-T20 PolarHBondContact O-N 3.28Å; G18-T20 VanDerWaalsContact C-N 3.28Å; G18-T20 PolarHBondContact O-N 3.47Å; T20-A22 VanDerWaalsContact C-N 3.33Å; T20-A22 PolarHBondContact O-N 2.92Å; T20-L23 PolarHBondContact O-N 2.93Å; T20-Y24 HydrophobicContact CG2-CD2 3.81Å; T20-Y24 HydrophobicContact CG2-CE2 3.87Å; T20-Y24 WeakPolarHBondContact O-CD2 3.33Å; T20-Y24 PolarHBondContact O-N 3.22Å; T20-V291 HydrophobicContact CG2-CG1 3.93Å; T20-V291 VanDerWaalsContact CG2-O 3.25Å; T20-V291 WeakPolarHBondContact CG2-O 3.42Å; T20-A295 HydrophobicContact CG2-CB 4.36Å
21A98.8Very high98.2Very high0 Ų026.2 Ų26.20%015%0.151CC..Hα-helixtrans-58.2-46.8174.300000110.9V11 G17 G18 L23 Y24 A25 V110 G294 V298V11-A21 HydrophobicContact CG2-CB 4.47Å; G17-A21 WeakPolarHBondContact O-CB 3.32Å; G17-A21 PolarHBondContact O-N 3.37Å; G18-A21 WeakPolarHBondContact O-CB 3.41Å; G18-A21 PolarHBondContact O-N 2.98Å; A21-L23 PolarHBondContact O-N 2.99Å; A21-Y24 PolarHBondContact O-N 2.94Å; A21-A25 VanDerWaalsContact O-CB 3.28Å; A21-A25 WeakPolarHBondContact O-CB 3.44Å; A21-A25 PolarHBondContact O-N 2.79Å; A21-V110 HydrophobicContact CB-CG1 4.11Å; A21-V110 HydrophobicContact CB-CG2 4.47Å; A21-G294 WeakPolarHBondContact CA-O 3.43Å; A21-V298 HydrophobicContact CB-CG2 4.09Å; A21-V298 WeakPolarHBondContact O-CG2 3.29Å
22A98.8Very high98.2Very high0 Ų026.4 Ų26.40%015%0.152CC..Hα-helixtrans-62-43.5179.200000112.7V11 G18 Y19 T20 Y24 A25 A26 T32 V34 A73 V78V11-A22 HydrophobicContact CG2-CB 4.31Å; G18-A22 PolarHBondContact O-N 2.97Å; Y19-A22 PolarHBondContact O-N 3.13Å; T20-A22 VanDerWaalsContact C-N 3.33Å; T20-A22 PolarHBondContact O-N 2.92Å; A22-Y24 PolarHBondContact O-N 2.91Å; A22-A25 PolarHBondContact O-N 3.32Å; A22-A26 WeakPolarHBondContact O-CB 3.41Å; A22-A26 PolarHBondContact O-N 3.07Å; A22-T32 HydrophobicContact CB-CG2 4.19Å; A22-V34 HydrophobicContact CB-CG2 3.38Å; A22-A73 HydrophobicContact CB-CB 4.44Å; A22-V78 HydrophobicContact CB-CB 4.45Å; A22-V78 HydrophobicContact CB-CG1 3.72Å; A22-V78 HydrophobicContact CB-CG2 3.88Å; A22-V78 WeakPolarHBondContact O-CG2 3.25Å
23L98.7Very high98.1Very high18 Ų1826.1 Ų26.19%0.09415%0.15CC..Hα-helixtrans-57.8-48.2175.2171.461.8000111.9Y19 T20 A21 R27 Q72 A73 F76Y19-L23 VanDerWaalsContact O-CB 3.26Å; Y19-L23 WeakPolarHBondContact O-CB 3.49Å; Y19-L23 PolarHBondContact O-N 2.78Å; T20-L23 PolarHBondContact O-N 2.93Å; A21-L23 PolarHBondContact O-N 2.99Å; L23-R27 HydrophobicContact CD1-CG 4.31Å; L23-R27 WeakPolarHBondContact O-CB 3.35Å; L23-R27 VanDerWaalsContact O-CG 3.22Å; L23-R27 WeakPolarHBondContact O-CG 3.03Å; L23-R27 PolarHBondContact O-N 3.38Å; L23-R27 VanDerWaalsContact O-N 3.13Å; L23-Q72 HydrophobicContact CD1-CG 4.03Å; L23-Q72 HydrophobicContact CD2-CG 3.95Å; L23-A73 HydrophobicContact CB-CB 4.26Å; L23-F76 HydrophobicContact CD1-CD2 3.32Å; L23-F76 HydrophobicContact CD1-CE2 3.68Å; L23-F76 HydrophobicContact CD1-CG 4.26Å
24Y98.7Very high98.2Very high113 Ų11325.6 Ų25.644%0.44315%0.145SC..Hα-helixtrans-66.8-42.2179.7-89.4-106.4000111.2T20 A21 A22 R27 A28 A295T20-Y24 HydrophobicContact CG2-CD2 3.81Å; T20-Y24 HydrophobicContact CG2-CE2 3.87Å; T20-Y24 WeakPolarHBondContact O-CD2 3.33Å; T20-Y24 PolarHBondContact O-N 3.22Å; A21-Y24 PolarHBondContact O-N 2.94Å; A22-Y24 PolarHBondContact O-N 2.91Å; Y24-R27 PolarHBondContact O-N 2.83Å; Y24-A28 PolarHBondContact O-N 2.67Å; Y24-A295 HydrophobicContact CD1-CB 4.03Å; Y24-A295 HydrophobicContact CD2-CB 4.05Å; Y24-A295 HydrophobicContact CE1-CB 3.76Å; Y24-A295 HydrophobicContact CE2-CB 3.77Å; Y24-A295 HydrophobicContact CG-CB 4.17Å
25A98.6Very high98.2Very high0 Ų025.8 Ų25.80%015%0.146CC..Hα-helixtrans-62-47.2179.800000111.6M9 A21 A22 R27 A28 G29 L30 T32 V298M9-A25 HydrophobicContact CE-CB 4.44Å; M9-A25 HydrophobicContact SD-CB 3.73Å; A21-A25 VanDerWaalsContact O-CB 3.28Å; A21-A25 WeakPolarHBondContact O-CB 3.44Å; A21-A25 PolarHBondContact O-N 2.79Å; A22-A25 PolarHBondContact O-N 3.32Å; A25-R27 VanDerWaalsContact C-N 3.31Å; A25-R27 PolarHBondContact O-N 2.63Å; A25-A28 CarbonylContact O-C 3.15Å; A25-A28 WeakPolarHBondContact O-CA 3.47Å; A25-A28 WeakPolarHBondContact O-CB 3.37Å; A25-A28 PolarHBondContact O-N 2.89Å; A25-A28 VanDerWaalsContact O-N 3.09Å; A25-G29 PolarHBondContact O-N 3.4Å; A25-L30 HydrophobicContact CB-CB 4.2Å; A25-L30 HydrophobicContact CB-CD1 4.14Å; A25-L30 WeakPolarHBondContact O-CB 3.34Å; A25-L30 PolarHBondContact O-N 2.91Å; A25-T32 HydrophobicContact CB-CG2 4.12Å; A25-T32 VanDerWaalsContact CB-OG1 3.29Å; A25-T32 WeakPolarHBondContact CB-OG1 3.3Å; A25-V298 HydrophobicContact CB-CG1 4.2Å; A25-V298 HydrophobicContact CB-CG2 4.04Å
26A98.1Very high98.2Very high17 Ų1725.9 Ų25.914%0.1414%0.143CC..Hα-helixtrans-62.8-37.6176.200000112.5A22 A28 G29 F76 V78A22-A26 WeakPolarHBondContact O-CB 3.41Å; A22-A26 PolarHBondContact O-N 3.07Å; A26-A28 VanDerWaalsContact C-N 3.27Å; A26-A28 PolarHBondContact O-N 3.26Å; A26-G29 PolarHBondContact O-N 2.82Å; A26-F76 HydrophobicContact CB-CB 3.92Å; A26-V78 HydrophobicContact CB-CG2 3.47Å; A26-V78 VanDerWaalsContact CB-CG2 3.47Å
27R97.9Very high97.9Very high155 Ų15530.6 Ų30.659%0.58516%0.162SC*.Hα-helixtrans-67.6-27.1175-73.8174.155.367.54.7113.4L23 Y24 A25 G29 F76L23-R27 HydrophobicContact CD1-CG 4.31Å; L23-R27 WeakPolarHBondContact O-CB 3.35Å; L23-R27 VanDerWaalsContact O-CG 3.22Å; L23-R27 WeakPolarHBondContact O-CG 3.03Å; L23-R27 PolarHBondContact O-N 3.38Å; L23-R27 VanDerWaalsContact O-N 3.13Å; Y24-R27 PolarHBondContact O-N 2.83Å; A25-R27 VanDerWaalsContact C-N 3.31Å; A25-R27 PolarHBondContact O-N 2.63Å; R27-G29 PolarHBondContact O-N 2.79Å; R27-F76 HydrophobicContact CG-CD1 3.74Å; R27-F76 HydrophobicContact CG-CD2 4.11Å; R27-F76 HydrophobicContact CG-CE1 3.87Å; R27-F76 HydrophobicContact CG-CE2 4.21Å; R27-F76 HydrophobicContact CG-CG 3.87Å; R27-F76 HydrophobicContact CG-CZ 4.1Å
28A97.2Very high97.5Very high39 Ų3936.7 Ų36.732%0.32219%0.193SC..THydrogen-bonded Turntrans-78.8-1.8170.700000113.2Y24 A25 A26 L30 E302Y24-A28 PolarHBondContact O-N 2.67Å; A25-A28 CarbonylContact O-C 3.15Å; A25-A28 WeakPolarHBondContact O-CA 3.47Å; A25-A28 WeakPolarHBondContact O-CB 3.37Å; A25-A28 PolarHBondContact O-N 2.89Å; A25-A28 VanDerWaalsContact O-N 3.09Å; A26-A28 VanDerWaalsContact C-N 3.27Å; A26-A28 PolarHBondContact O-N 3.26Å; A28-L30 HydrophobicContact CB-CG 4.24Å; A28-E302 HydrophobicContact CB-CG 4.05Å; A28-E302 VanDerWaalsContact CB-OE1 3.28Å; A28-E302 WeakPolarHBondContact CB-OE1 3.41Å
29G96.6Very high97.2Very high64 Ų6439.5 Ų39.566%0.6621%0.213SC*.THydrogen-bonded Turntrans79.218.6-178.300000114A25 A26 R27A25-G29 PolarHBondContact O-N 3.4Å; A26-G29 PolarHBondContact O-N 2.82Å; R27-G29 PolarHBondContact O-N 2.79Å
30L97.6Very high96.9Very high20 Ų2039.8 Ų39.811%0.10522%0.216CC..  trans-84.1130.4175.6-56.4-178.3000110.5D8 M9 A25 A28 T32 E302 I305D8-L30 HydrophobicContact CB-CB 3.91Å; D8-L30 HydrophobicContact CB-CD2 4.12Å; M9-L30 HydrophobicContact CE-CD1 4.49Å; A25-L30 HydrophobicContact CB-CB 4.2Å; A25-L30 HydrophobicContact CB-CD1 4.14Å; A25-L30 WeakPolarHBondContact O-CB 3.34Å; A25-L30 PolarHBondContact O-N 2.91Å; A28-L30 HydrophobicContact CB-CG 4.24Å; L30-T32 PolarHBondContact O-N 2.97Å; L30-T32 PolarHBondContact O-OG1 2.82Å; L30-E302 HydrophobicContact CD1-CG 4.38Å; L30-I305 HydrophobicContact CD1-CD1 3.97Å; L30-I305 HydrophobicContact CD2-CD1 3.91Å
31D97.5Very high96.6Very high64 Ų6439.3 Ų39.334%0.34221%0.213SC..  trans-70.3114172.3-174.49.9000110.2H5 D8 M9H5-D31 IonicContact CD2-OD2 2.98Å; H5-D31 IonicContact CE1-OD2 2.77Å; H5-D31 PolarHBondContact CE1-OD2 3.19Å; H5-D31 IonicContact NE2-OD2 3.3Å; H5-D31 PolarHBondContact NE2-OD2 3.03Å; D8-D31 PolarHBondContact N-O 3.01Å; D8-D31 PolarHBondContact OD2-N 3.01Å; M9-D31 PolarHBondContact N-O 3.12Å
32T98.4Very high96.2Very high4 Ų441 Ų413%0.02523%0.231CC..EExtended strand (participates in β ladder)trans-133.7135.1-163.3-53.70000111.9M9 V11 A22 A25 L30 R79M9-T32 HydrophobicContact CB-CG2 4.13Å; M9-T32 HydrophobicContact CG-CG2 4.27Å; M9-T32 WeakPolarHBondContact O-CA 3.23Å; V11-T32 HydrophobicContact CG2-CG2 4Å; A22-T32 HydrophobicContact CB-CG2 4.19Å; A25-T32 HydrophobicContact CB-CG2 4.12Å; A25-T32 VanDerWaalsContact CB-OG1 3.29Å; A25-T32 WeakPolarHBondContact CB-OG1 3.3Å; L30-T32 PolarHBondContact O-N 2.97Å; L30-T32 PolarHBondContact O-OG1 2.82Å; T32-R79 PolarHBondContact O-N 3.02Å
33V98.2Very high95.8Very high0 Ų042.9 Ų42.90%024%0.239CC..EExtended strand (participates in β ladder)trans-124.4138.417161.30000110.8Y7 M9 L10 V11 L35 R79 E81 F104Y7-V33 HydrophobicContact CD1-CB 4.06Å; Y7-V33 HydrophobicContact CD1-CG1 3.82Å; Y7-V33 HydrophobicContact CD2-CG1 3.72Å; Y7-V33 HydrophobicContact CE1-CB 3.74Å; Y7-V33 HydrophobicContact CE1-CG1 3.82Å; Y7-V33 HydrophobicContact CE2-CB 4.37Å; Y7-V33 HydrophobicContact CE2-CG1 3.7Å; Y7-V33 HydrophobicContact CG-CB 4.5Å; Y7-V33 HydrophobicContact CG-CG1 3.77Å; M9-V33 PolarHBondContact O-N 3.35Å; L10-V33 HydrophobicContact CD2-CG1 3.31Å; V11-V33 PolarHBondContact N-O 3.12Å; V33-L35 HydrophobicContact CG2-CD2 4.21Å; V33-R79 CarbonylContact C-O 3.58Å; V33-R79 WeakPolarHBondContact CA-O 3.35Å; V33-R79 HydrophobicContact CG2-CB 4.28Å; V33-R79 HydrophobicContact CG2-CG 4.34Å; V33-R79 WeakPolarHBondContact CG2-O 3.06Å; V33-E81 HydrophobicContact CG2-CB 4.09Å; V33-F104 HydrophobicContact CG1-CD1 4.16Å; V33-F104 HydrophobicContact CG2-CE1 4.39Å
34V98.7Very high95.5Very high0 Ų042.6 Ų42.60%024%0.238CC..EExtended strand (participates in β ladder)trans-97.2121.5169.5179.80000108.3V11 Y19 A22 E36 V78 R79 E81V11-V34 HydrophobicContact CB-CG2 4.12Å; V11-V34 HydrophobicContact CG1-CG2 4.42Å; V11-V34 CarbonylContact O-C 3.57Å; V11-V34 WeakPolarHBondContact O-CA 3.37Å; Y19-V34 HydrophobicContact CD1-CG2 4.24Å; Y19-V34 HydrophobicContact CE1-CB 4.39Å; Y19-V34 HydrophobicContact CE1-CG1 4.18Å; Y19-V34 HydrophobicContact CE1-CG2 4.17Å; A22-V34 HydrophobicContact CB-CG2 3.38Å; V34-E36 HydrophobicContact CG1-CB 4.48Å; V34-V78 HydrophobicContact CG2-CG1 3.77Å; V34-R79 PolarHBondContact N-O 3.05Å; V34-E81 PolarHBondContact O-N 2.96Å
35L98.4Very high95.2Very high3 Ų338 Ų382%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-95.4104.3172.6-56.6176000107.9V11 G13 V33 E81 V85 L97 T99 F104V11-L35 PolarHBondContact O-N 3.24Å; G13-L35 PolarHBondContact N-O 2.61Å; V33-L35 HydrophobicContact CG2-CD2 4.21Å; L35-E81 HydrophobicContact CD2-CB 4.03Å; L35-V85 HydrophobicContact CB-CG2 4.12Å; L35-V85 HydrophobicContact CD1-CG2 3.75Å; L35-L97 HydrophobicContact CD1-CB 4.48Å; L35-L97 HydrophobicContact CD1-CD2 4.17Å; L35-T99 HydrophobicContact CD1-CG2 4.06Å; L35-F104 HydrophobicContact CD1-CB 4.39Å; L35-F104 HydrophobicContact CD1-CG 4.36Å; L35-F104 HydrophobicContact CD2-CD1 3.9Å; L35-F104 HydrophobicContact CD2-CD2 4.08Å; L35-F104 HydrophobicContact CD2-CE1 3.89Å; L35-F104 HydrophobicContact CD2-CE2 4.08Å; L35-F104 HydrophobicContact CD2-CG 4.01Å; L35-F104 HydrophobicContact CD2-CZ 3.99Å
36E96.7Very high94.6Very high13 Ų1342 Ų426%0.06124%0.244CC..EExtended strand (participates in β ladder)trans-115127.5-179171.645.7-126.900110G14 V34 L38 S39 E81 Y82 A83G14-E36 WeakPolarHBondContact CA-OE2 3.45Å; G14-E36 PolarHBondContact N-OE2 2.78Å; V34-E36 HydrophobicContact CG1-CB 4.48Å; E36-L38 PolarHBondContact O-N 3.19Å; E36-L38 PolarHBondContact OE1-N 3.14Å; E36-S39 WeakPolarHBondContact CG-O 3.29Å; E36-S39 PolarHBondContact OE1-N 3.15Å; E36-S39 VanDerWaalsContact OE1-N 3.08Å; E36-E81 PolarHBondContact N-O 3.39Å; E36-Y82 HydrophobicContact CG-CD1 4.43Å; E36-Y82 HydrophobicContact CG-CE1 4.43Å; E36-Y82 CarbonylContact O-C 3.49Å; E36-Y82 WeakPolarHBondContact O-CA 3.38Å; E36-A83 CarbonylContact C-O 3.56Å; E36-A83 PolarHBondContact O-N 2.78Å
37K93.4Very high94Very high115 Ų11544 Ų4450%0.526%0.255SS..SBendtrans-72.8-29.6-174.363176.3-179.8-176.90114.1E84K37-E84 HydrophobicContact CB-CB 4.07Å; K37-E84 HydrophobicContact CB-CG 4.26Å
38L89.7Confident93.4Very high131 Ų13140.8 Ų40.869%0.68625%0.246SC*.SBendtrans-138-63.8-171.7-75.5166.5000112.2E36E36-L38 PolarHBondContact O-N 3.19Å; E36-L38 PolarHBondContact OE1-N 3.14Å
39S91Very high92.9Very high60 Ų6043 Ų4342%0.4225%0.25SC..  trans-161.6155.8-171.364.70000111.6E36E36-S39 WeakPolarHBondContact CG-O 3.29Å; E36-S39 PolarHBondContact OE1-N 3.15Å; E36-S39 VanDerWaalsContact OE1-N 3.08Å
40A92.5Very high92.6Very high8 Ų840.3 Ų40.37%0.06622%0.22CC..THydrogen-bonded Turntrans-61.8149.2178.500000113.3Y19 A66 Q70Y19-A40 HydrophobicContact CD2-CB 4.42Å; Y19-A40 HydrophobicContact CE2-CB 3.42Å; Y19-A40 VanDerWaalsContact CE2-CB 3.42Å; A40-A66 HydrophobicContact CB-CB 4.45Å; A40-Q70 HydrophobicContact CB-CB 3.94Å; A40-Q70 HydrophobicContact CB-CG 4.44Å
41G92Very high92.2Very high1 Ų144.9 Ų44.91%0.0125%0.245CC..THydrogen-bonded Turntrans97.7-19.9172.400000115G14 Q43 M44G14-G41 WeakPolarHBondContact O-CA 3.46Å; G14-G41 PolarHBondContact O-N 2.85Å; G41-Q43 PolarHBondContact O-N 3.02Å; G41-M44 WeakPolarHBondContact O-CB 3.37Å; G41-M44 PolarHBondContact O-N 2.97Å; G41-M44 VanDerWaalsContact O-N 3.16Å
42G91.5Very high91.9Very high36 Ų3646.3 Ų46.337%0.37125%0.253SS..G310 helixtrans50.2-128.7-174.700000111M44 A45G42-M44 VanDerWaalsContact C-N 3.28Å; G42-M44 PolarHBondContact O-N 3.23Å; G42-A45 WeakPolarHBondContact O-CB 3.08Å; G42-A45 PolarHBondContact O-N 3.41Å
43Q89.7Confident91.8Very high39 Ų3948.1 Ų48.118%0.18226%0.259CS..G310 helixtrans-69-25.4-175.7-44.7-169.7-6900114.3G41 A45 L46 A115 R241G41-Q43 PolarHBondContact O-N 3.02Å; Q43-A45 VanDerWaalsContact C-N 3.26Å; Q43-A45 PolarHBondContact O-N 2.81Å; Q43-L46 PolarHBondContact O-N 2.83Å; Q43-A115 PolarHBondContact NE2-O 3.18Å; Q43-A115 PolarHBondContact OE1-O 2.95Å; Q43-R241 VanDerWaalsContact NE2-CD 3.29Å; Q43-R241 VanDerWaalsContact NE2-NE 3.14Å
44M92.8Very high91.6Very high12 Ų1252.9 Ų52.96%0.05929%0.29CS..G310 helixtrans-62.7-39178.2-179.5-174.471.700110.1P16 G41 G42 L46 T47 I50 G62 L65 A66 M69 V287P16-M44 HydrophobicContact CG-CB 4.04Å; P16-M44 HydrophobicContact CG-CE 3.92Å; P16-M44 HydrophobicContact CG-CG 4.44Å; P16-M44 HydrophobicContact CG-SD 3.57Å; P16-M44 VanDerWaalsContact CG-SD 3.57Å; G41-M44 WeakPolarHBondContact O-CB 3.37Å; G41-M44 PolarHBondContact O-N 2.97Å; G41-M44 VanDerWaalsContact O-N 3.16Å; G42-M44 VanDerWaalsContact C-N 3.28Å; G42-M44 PolarHBondContact O-N 3.23Å; M44-L46 PolarHBondContact O-N 3.34Å; M44-T47 WeakPolarHBondContact O-CB 3.44Å; M44-T47 PolarHBondContact O-N 3.17Å; M44-T47 PolarHBondContact O-OG1 2.84Å; M44-I50 HydrophobicContact CG-CD1 3.47Å; M44-I50 VanDerWaalsContact CG-CD1 3.47Å; M44-I50 HydrophobicContact SD-CD1 4.09Å; M44-G62 VanDerWaalsContact O-CA 3.24Å; M44-G62 WeakPolarHBondContact O-CA 3.23Å; M44-L65 HydrophobicContact CE-CB 3.97Å; M44-L65 HydrophobicContact CE-CD2 4.11Å; M44-L65 HydrophobicContact CE-CG 3.76Å; M44-L65 HydrophobicContact SD-CB 4.39Å; M44-L65 HydrophobicContact SD-CD2 3.53Å; M44-L65 VanDerWaalsContact SD-CD2 3.53Å; M44-L65 HydrophobicContact SD-CG 3.9Å; M44-A66 HydrophobicContact CE-CB 3.83Å; M44-M69 HydrophobicContact CE-CE 4.41Å; M44-M69 HydrophobicContact CE-SD 3.94Å; M44-M69 HydrophobicContact SD-CE 4.44Å; M44-V287 HydrophobicContact CB-CG2 4.45Å; M44-V287 HydrophobicContact CG-CG2 3.86Å; M44-V287 HydrophobicContact SD-CB 4.31Å; M44-V287 HydrophobicContact SD-CG1 3.59Å; M44-V287 VanDerWaalsContact SD-CG1 3.59Å; M44-V287 HydrophobicContact SD-CG2 3.67Å
45A92.3Very high91.5Very high16 Ų1656.5 Ų56.513%0.13233%0.327CS..G310 helixtrans-57.4-19.4-177.800000114.1G42 Q43 A66G42-A45 WeakPolarHBondContact O-CB 3.08Å; G42-A45 PolarHBondContact O-N 3.41Å; Q43-A45 VanDerWaalsContact C-N 3.26Å; Q43-A45 PolarHBondContact O-N 2.81Å; A45-A66 HydrophobicContact CB-CB 4.36Å
46L86.8Confident91.3Very high85 Ų8559.2 Ų59.245%0.44534%0.339SS..G310 helixtrans-90.41.3-179.6-51.1-176.1000113.4Q43 M44 C136 A138Q43-L46 PolarHBondContact O-N 2.83Å; M44-L46 PolarHBondContact O-N 3.34Å; L46-C136 HydrophobicContact CD1-CB 4.47Å; L46-A138 VanDerWaalsContact O-CB 3.25Å; L46-A138 WeakPolarHBondContact O-CB 3.27Å
47T85.6Confident91.2Very high59 Ų5968 Ų6836%0.36238%0.38SS..  trans-91.8124.7-177.5-52.30000109.8M44 Q49 I50 G62M44-T47 WeakPolarHBondContact O-CB 3.44Å; M44-T47 PolarHBondContact O-N 3.17Å; M44-T47 PolarHBondContact O-OG1 2.84Å; T47-Q49 WeakPolarHBondContact CG2-O 3.45Å; T47-I50 HydrophobicContact CG2-CD1 4.48Å; T47-I50 HydrophobicContact CG2-CG1 3.7Å; T47-G62 PolarHBondContact O-N 3.49Å
48E83.9Confident91.2Very high88 Ų8869.7 Ų69.741%0.41140%0.395SS..SBendtrans-63.1-46.2178.6-174.8-158.6-163.100111.7D61 L164 R167E48-D61 VanDerWaalsContact O-CA 3.24Å; E48-D61 WeakPolarHBondContact O-CA 3.14Å; E48-D61 WeakPolarHBondContact O-CB 3.24Å; E48-L164 HydrophobicContact CB-CD2 4.44Å; E48-L164 WeakPolarHBondContact OE2-CD1 3.49Å; E48-R167 IonicContact OE1-NH1 3.07Å; E48-R167 IonicContact OE2-NH1 3.82Å
49Q88Confident91.4Very high84 Ų8464.1 Ų64.139%0.39337%0.369SS..  trans-140128-174.3-175.27210.100110.6T47 D51 D58T47-Q49 WeakPolarHBondContact CG2-O 3.45Å; Q49-D51 WeakPolarHBondContact CG-OD1 3.46Å; Q49-D51 PolarHBondContact NE2-OD1 2.82Å; Q49-D58 PolarHBondContact NE2-O 3.42Å
50I90.2Very high91.6Very high8 Ų862 Ų624%0.04135%0.353CS..BIsolated β-bridgetrans-117.7101.4174.6-56.6174.2000108.5M44 T47 G59 I60 L65M44-I50 HydrophobicContact CG-CD1 3.47Å; M44-I50 VanDerWaalsContact CG-CD1 3.47Å; M44-I50 HydrophobicContact SD-CD1 4.09Å; T47-I50 HydrophobicContact CG2-CD1 4.48Å; T47-I50 HydrophobicContact CG2-CG1 3.7Å; I50-G59 VanDerWaalsContact O-CA 3.3Å; I50-G59 WeakPolarHBondContact O-CA 3.17Å; I50-I60 HydrophobicContact CB-CG2 4.44Å; I50-I60 VanDerWaalsContact CB-O 3.32Å; I50-I60 WeakPolarHBondContact CB-O 3.34Å; I50-I60 PolarHBondContact N-O 2.84Å; I50-I60 PolarHBondContact O-N 2.84Å; I50-L65 HydrophobicContact CD1-CD2 4.07Å
51D90Very high91.7Very high117 Ų11764.4 Ų64.463%0.62637%0.365SS*.  trans-94.9-9.1178.6-59.3-48.8000113.3Q49Q49-D51 WeakPolarHBondContact CG-OD1 3.46Å; Q49-D51 PolarHBondContact NE2-OD1 2.82Å
52N90.2Very high91.7Very high94 Ų9464.4 Ų64.450%0.50336%0.364SS..SBendtrans-109.714.5-171.872.9-10.2000114Q286N52-Q286 PolarHBondContact ND2-OE1 3.2Å
53Y95.6Very high91.8Very high42 Ų4267.9 Ų67.917%0.16537%0.37CS..SBendtrans-103.5108.9169.9-169.3-107.8000109.2F56 L65 M69 V287 V288 V291Y53-F56 AromaticContact CD1-CD2 3.79Å; Y53-F56 HydrophobicContact CD1-CD2 3.79Å; Y53-F56 AromaticContact CD1-CE2 3.6Å; Y53-F56 HydrophobicContact CD1-CE2 3.6Å; Y53-F56 HydrophobicContact CE1-CD2 4.46Å; Y53-F56 AromaticContact CE1-CE2 3.87Å; Y53-F56 HydrophobicContact CE1-CE2 3.87Å; Y53-L65 HydrophobicContact CD1-CD1 4.26Å; Y53-L65 HydrophobicContact CD1-CD2 3.83Å; Y53-L65 HydrophobicContact CE1-CD1 4.14Å; Y53-L65 HydrophobicContact CE1-CD2 4.3Å; Y53-L65 HydrophobicContact CG-CD2 4.23Å; Y53-M69 HydrophobicContact CE1-CE 4.27Å; Y53-V287 HydrophobicContact CD2-CB 3.95Å; Y53-V287 HydrophobicContact CD2-CG1 3.57Å; Y53-V287 HydrophobicContact CE2-CB 4.44Å; Y53-V287 HydrophobicContact CE2-CG1 3.7Å; Y53-V287 HydrophobicContact CG-CG1 4.19Å; Y53-V288 HydrophobicContact CD2-CB 4.19Å; Y53-V288 HydrophobicContact CE2-CB 4.32Å; Y53-V291 HydrophobicContact CE2-CG2 4.04Å
54P94.1Very high92.1Very high99 Ų9967.8 Ų67.864%0.64337%0.373SS*.THydrogen-bonded Turntrans-58.7146.5-173-25.334.3000113.5
55G96.4Very high92.4Very high76 Ų7667.5 Ų67.578%0.78437%0.372SS*.THydrogen-bonded Turntrans101.6-1.7-179.100000114.5
56F95.2Very high92.6Very high61 Ų6166.8 Ų66.827%0.26837%0.366SS..  trans-122.891173.9-60.7-82.4000109Y53 D58 G59 I60 L65 K68Y53-F56 AromaticContact CD1-CD2 3.79Å; Y53-F56 HydrophobicContact CD1-CD2 3.79Å; Y53-F56 AromaticContact CD1-CE2 3.6Å; Y53-F56 HydrophobicContact CD1-CE2 3.6Å; Y53-F56 HydrophobicContact CE1-CD2 4.46Å; Y53-F56 AromaticContact CE1-CE2 3.87Å; Y53-F56 HydrophobicContact CE1-CE2 3.87Å; F56-D58 VanDerWaalsContact C-N 3.31Å; F56-D58 PolarHBondContact O-N 3.42Å; F56-G59 WeakPolarHBondContact O-CA 3.29Å; F56-G59 PolarHBondContact O-N 2.98Å; F56-I60 HydrophobicContact CB-CB 4.23Å; F56-I60 HydrophobicContact CB-CG2 4.17Å; F56-I60 HydrophobicContact CD1-CB 3.75Å; F56-I60 HydrophobicContact CD1-CD1 3.76Å; F56-I60 HydrophobicContact CD1-CG1 4.28Å; F56-I60 HydrophobicContact CD1-CG2 3.97Å; F56-I60 HydrophobicContact CD2-CB 4.48Å; F56-I60 HydrophobicContact CD2-CG2 3.8Å; F56-I60 HydrophobicContact CE1-CB 4.24Å; F56-I60 HydrophobicContact CE1-CD1 3.36Å; F56-I60 HydrophobicContact CE1-CG1 4.34Å; F56-I60 HydrophobicContact CE1-CG2 4.33Å; F56-I60 HydrophobicContact CE2-CG2 4.18Å; F56-I60 HydrophobicContact CG-CB 3.88Å; F56-I60 HydrophobicContact CG-CG2 3.68Å; F56-I60 HydrophobicContact CZ-CD1 3.86Å; F56-I60 HydrophobicContact CZ-CG2 4.42Å; F56-L65 HydrophobicContact CE2-CD1 3.7Å; F56-L65 HydrophobicContact CZ-CD1 3.72Å; F56-K68 HydrophobicContact CE1-CD 4.45Å
57E94.1Very high93.1Very high197 Ų19765.9 Ų65.992%0.92136%0.36SS*.THydrogen-bonded Turntrans-60.4-39-173.6-67.6-179.1-164.700112.8G59E57-G59 VanDerWaalsContact C-N 3.3Å
58D93.9Very high93.6Very high150 Ų15068.5 Ų68.580%0.80237%0.366SS*.THydrogen-bonded Turntrans-93.613.4175.9-57.4-51.9000112.7Q49 F56Q49-D58 PolarHBondContact NE2-O 3.42Å; F56-D58 VanDerWaalsContact C-N 3.31Å; F56-D58 PolarHBondContact O-N 3.42Å
59G93.4Very high94.3Very high15 Ų1565 Ų6516%0.15535%0.35CS..  trans66.8-176-169.100000113.6I50 F56 E57I50-G59 VanDerWaalsContact O-CA 3.3Å; I50-G59 WeakPolarHBondContact O-CA 3.17Å; F56-G59 WeakPolarHBondContact O-CA 3.29Å; F56-G59 PolarHBondContact O-N 2.98Å; E57-G59 VanDerWaalsContact C-N 3.3Å
60I96.1Very high94.8Very high16 Ų1662.1 Ų62.18%0.08234%0.336CS..BIsolated β-bridgetrans-151.7147.2178.2-172167.1000110.1I50 F56 L65 K68I50-I60 HydrophobicContact CB-CG2 4.44Å; I50-I60 VanDerWaalsContact CB-O 3.32Å; I50-I60 WeakPolarHBondContact CB-O 3.34Å; I50-I60 PolarHBondContact N-O 2.84Å; I50-I60 PolarHBondContact O-N 2.84Å; F56-I60 HydrophobicContact CB-CB 4.23Å; F56-I60 HydrophobicContact CB-CG2 4.17Å; F56-I60 HydrophobicContact CD1-CB 3.75Å; F56-I60 HydrophobicContact CD1-CD1 3.76Å; F56-I60 HydrophobicContact CD1-CG1 4.28Å; F56-I60 HydrophobicContact CD1-CG2 3.97Å; F56-I60 HydrophobicContact CD2-CB 4.48Å; F56-I60 HydrophobicContact CD2-CG2 3.8Å; F56-I60 HydrophobicContact CE1-CB 4.24Å; F56-I60 HydrophobicContact CE1-CD1 3.36Å; F56-I60 HydrophobicContact CE1-CG1 4.34Å; F56-I60 HydrophobicContact CE1-CG2 4.33Å; F56-I60 HydrophobicContact CE2-CG2 4.18Å; F56-I60 HydrophobicContact CG-CB 3.88Å; F56-I60 HydrophobicContact CG-CG2 3.68Å; F56-I60 HydrophobicContact CZ-CD1 3.86Å; F56-I60 HydrophobicContact CZ-CG2 4.42Å; I60-L65 HydrophobicContact CD1-CB 4.01Å; I60-L65 HydrophobicContact CD1-CD1 4.43Å; I60-L65 HydrophobicContact CG1-CB 4.29Å; I60-L65 HydrophobicContact CG2-CB 4.02Å; I60-L65 HydrophobicContact CG2-CD1 4.47Å; I60-L65 HydrophobicContact CG2-CD2 3.96Å; I60-L65 HydrophobicContact CG2-CG 4.38Å; I60-K68 HydrophobicContact CD1-CD 3.87Å
61D93.8Very high95.2Very high58 Ų5867.3 Ų67.331%0.3136%0.358SS..  trans-72.6150.2170.475.588.7000111.6E48 F63 S64 L65E48-D61 VanDerWaalsContact O-CA 3.24Å; E48-D61 WeakPolarHBondContact O-CA 3.14Å; E48-D61 WeakPolarHBondContact O-CB 3.24Å; D61-F63 VanDerWaalsContact C-N 3.3Å; D61-F63 PolarHBondContact O-N 2.9Å; D61-F63 WeakPolarHBondContact OD1-CB 3.25Å; D61-F63 PolarHBondContact OD1-N 3.42Å; D61-F63 VanDerWaalsContact OD1-N 3.14Å; D61-S64 VanDerWaalsContact CG-OG 3.26Å; D61-S64 PolarHBondContact O-N 3.12Å; D61-S64 WeakPolarHBondContact OD1-CB 3.33Å; D61-S64 PolarHBondContact OD1-N 2.86Å; D61-S64 PolarHBondContact OD1-OG 3.26Å; D61-S64 WeakPolarHBondContact OD2-CB 3.27Å; D61-S64 PolarHBondContact OD2-OG 2.83Å; D61-L65 WeakPolarHBondContact O-CB 3.34Å; D61-L65 PolarHBondContact O-N 2.89Å
62G92.7Very high95.6Very high0 Ų066 Ų660%035%0.349CS..Hα-helixtrans-64.3-33.3-174.100000114M44 T47 A66M44-G62 VanDerWaalsContact O-CA 3.24Å; M44-G62 WeakPolarHBondContact O-CA 3.23Å; T47-G62 PolarHBondContact O-N 3.49Å; G62-A66 WeakPolarHBondContact O-CB 3.4Å; G62-A66 PolarHBondContact O-N 2.78Å
63F93.9Very high96Very high109 Ų10961.5 Ų61.548%0.47833%0.325SS..Hα-helixtrans-70.7-48.7-179.2179.6-91.3000110.8D61 L65 A66 E67D61-F63 VanDerWaalsContact C-N 3.3Å; D61-F63 PolarHBondContact O-N 2.9Å; D61-F63 WeakPolarHBondContact OD1-CB 3.25Å; D61-F63 PolarHBondContact OD1-N 3.42Å; D61-F63 VanDerWaalsContact OD1-N 3.14Å; F63-L65 VanDerWaalsContact C-N 3.29Å; F63-L65 PolarHBondContact O-N 2.89Å; F63-A66 WeakPolarHBondContact O-CB 3.45Å; F63-A66 PolarHBondContact O-N 3.3Å; F63-A66 VanDerWaalsContact O-N 3.11Å; F63-E67 HydrophobicContact CD1-CG 4.33Å; F63-E67 HydrophobicContact CE1-CG 3.83Å; F63-E67 WeakPolarHBondContact CE1-OE2 3.33Å; F63-E67 HydrophobicContact CZ-CG 4.1Å; F63-E67 PolarHBondContact O-N 3.33Å
64S96.1Very high96.1Very high38 Ų3863 Ų6327%0.26633%0.333SS..Hα-helixtrans-59.7-40.4175.1-670000111.8D61 A66 K68D61-S64 VanDerWaalsContact CG-OG 3.26Å; D61-S64 PolarHBondContact O-N 3.12Å; D61-S64 WeakPolarHBondContact OD1-CB 3.33Å; D61-S64 PolarHBondContact OD1-N 2.86Å; D61-S64 PolarHBondContact OD1-OG 3.26Å; D61-S64 WeakPolarHBondContact OD2-CB 3.27Å; D61-S64 PolarHBondContact OD2-OG 2.83Å; S64-A66 VanDerWaalsContact C-N 3.34Å; S64-K68 VanDerWaalsContact O-CG 3.25Å; S64-K68 WeakPolarHBondContact O-CG 3.32Å; S64-K68 PolarHBondContact O-N 2.81Å
65L97.3Very high96.2Very high5 Ų566.8 Ų66.83%0.02634%0.335CS..Hα-helixtrans-63.9-41.4175.5-176.854.6000111.5M44 I50 Y53 F56 I60 D61 F63 K68 M69 V287M44-L65 HydrophobicContact CE-CB 3.97Å; M44-L65 HydrophobicContact CE-CD2 4.11Å; M44-L65 HydrophobicContact CE-CG 3.76Å; M44-L65 HydrophobicContact SD-CB 4.39Å; M44-L65 HydrophobicContact SD-CD2 3.53Å; M44-L65 VanDerWaalsContact SD-CD2 3.53Å; M44-L65 HydrophobicContact SD-CG 3.9Å; I50-L65 HydrophobicContact CD1-CD2 4.07Å; Y53-L65 HydrophobicContact CD1-CD1 4.26Å; Y53-L65 HydrophobicContact CD1-CD2 3.83Å; Y53-L65 HydrophobicContact CE1-CD1 4.14Å; Y53-L65 HydrophobicContact CE1-CD2 4.3Å; Y53-L65 HydrophobicContact CG-CD2 4.23Å; F56-L65 HydrophobicContact CE2-CD1 3.7Å; F56-L65 HydrophobicContact CZ-CD1 3.72Å; I60-L65 HydrophobicContact CD1-CB 4.01Å; I60-L65 HydrophobicContact CD1-CD1 4.43Å; I60-L65 HydrophobicContact CG1-CB 4.29Å; I60-L65 HydrophobicContact CG2-CB 4.02Å; I60-L65 HydrophobicContact CG2-CD1 4.47Å; I60-L65 HydrophobicContact CG2-CD2 3.96Å; I60-L65 HydrophobicContact CG2-CG 4.38Å; D61-L65 WeakPolarHBondContact O-CB 3.34Å; D61-L65 PolarHBondContact O-N 2.89Å; F63-L65 VanDerWaalsContact C-N 3.29Å; F63-L65 PolarHBondContact O-N 2.89Å; L65-K68 PolarHBondContact O-N 2.99Å; L65-M69 HydrophobicContact CD1-CE 3.93Å; L65-M69 HydrophobicContact CD2-CE 4.19Å; L65-M69 HydrophobicContact CG-CE 3.89Å; L65-M69 WeakPolarHBondContact O-CG 3.44Å; L65-M69 PolarHBondContact O-N 3.37Å; L65-V287 HydrophobicContact CD2-CG1 4.41Å
66A97.2Very high96.3Very high1 Ų166.8 Ų66.81%0.00831%0.313CS..Hα-helixtrans-62.4-47.1176.700000112.8A40 M44 A45 G62 F63 S64 K68 M69 Q70A40-A66 HydrophobicContact CB-CB 4.45Å; M44-A66 HydrophobicContact CE-CB 3.83Å; A45-A66 HydrophobicContact CB-CB 4.36Å; G62-A66 WeakPolarHBondContact O-CB 3.4Å; G62-A66 PolarHBondContact O-N 2.78Å; F63-A66 WeakPolarHBondContact O-CB 3.45Å; F63-A66 PolarHBondContact O-N 3.3Å; F63-A66 VanDerWaalsContact O-N 3.11Å; S64-A66 VanDerWaalsContact C-N 3.34Å; A66-K68 VanDerWaalsContact C-N 3.28Å; A66-K68 PolarHBondContact O-N 2.88Å; A66-M69 PolarHBondContact O-N 2.9Å; A66-Q70 PolarHBondContact O-N 2.75Å
67E96.7Very high96.4Very high66 Ų6666.9 Ų66.931%0.30833%0.331SS..Hα-helixtrans-59.1-40.4175.3-78.9-158.689.800111.8F63 Q70 K71F63-E67 HydrophobicContact CD1-CG 4.33Å; F63-E67 HydrophobicContact CE1-CG 3.83Å; F63-E67 WeakPolarHBondContact CE1-OE2 3.33Å; F63-E67 HydrophobicContact CZ-CG 4.1Å; F63-E67 PolarHBondContact O-N 3.33Å; E67-Q70 PolarHBondContact O-N 3.46Å; E67-K71 WeakPolarHBondContact O-CB 3.3Å; E67-K71 VanDerWaalsContact O-CG 3.27Å; E67-K71 WeakPolarHBondContact O-CG 3.33Å; E67-K71 PolarHBondContact O-N 3.38Å; E67-K71 IonicContact OE1-NZ 2.67Å; E67-K71 PolarHBondContact OE1-NZ 3.48Å
68K97.9Very high96.6Very high115 Ų11557.9 Ų57.950%0.529%0.289SS..Hα-helixtrans-62.5-44.4176.4-73.9172.7-168.4-62.70111.3F56 I60 S64 L65 A66 Q72F56-K68 HydrophobicContact CE1-CD 4.45Å; I60-K68 HydrophobicContact CD1-CD 3.87Å; S64-K68 VanDerWaalsContact O-CG 3.25Å; S64-K68 WeakPolarHBondContact O-CG 3.32Å; S64-K68 PolarHBondContact O-N 2.81Å; L65-K68 PolarHBondContact O-N 2.99Å; A66-K68 VanDerWaalsContact C-N 3.28Å; A66-K68 PolarHBondContact O-N 2.88Å; K68-Q72 VanDerWaalsContact O-CB 3.26Å; K68-Q72 WeakPolarHBondContact O-CB 3.43Å; K68-Q72 PolarHBondContact O-N 3.11Å
69M98.3Very high96.6Very high14 Ų1455.6 Ų55.67%0.06927%0.27CS..Hα-helixtrans-63-45.7177.7-70.5178.5176.300111.9P16 M44 Y53 L65 A66 Q72 A73 V287 V291P16-M69 HydrophobicContact CB-CE 4.19Å; P16-M69 HydrophobicContact CB-SD 3.9Å; P16-M69 HydrophobicContact CG-SD 4.34Å; M44-M69 HydrophobicContact CE-CE 4.41Å; M44-M69 HydrophobicContact CE-SD 3.94Å; M44-M69 HydrophobicContact SD-CE 4.44Å; Y53-M69 HydrophobicContact CE1-CE 4.27Å; L65-M69 HydrophobicContact CD1-CE 3.93Å; L65-M69 HydrophobicContact CD2-CE 4.19Å; L65-M69 HydrophobicContact CG-CE 3.89Å; L65-M69 WeakPolarHBondContact O-CG 3.44Å; L65-M69 PolarHBondContact O-N 3.37Å; A66-M69 PolarHBondContact O-N 2.9Å; M69-Q72 PolarHBondContact O-N 2.92Å; M69-A73 PolarHBondContact O-N 2.05Å; M69-A73 VanDerWaalsContact O-N 3.14Å; M69-V287 HydrophobicContact CE-CG1 4.08Å; M69-V291 HydrophobicContact CE-CG2 3.97Å
70Q98.1Very high96.8Very high23 Ų2355.8 Ų55.811%0.10727%0.268CS..Hα-helixtrans-59.1-55.5176.3176.5177.78.500111.3Y19 A40 A66 E67 Q72 A73 E74 Y82Y19-Q70 HydrophobicContact CD1-CB 4.34Å; Y19-Q70 HydrophobicContact CD2-CB 4.4Å; Y19-Q70 HydrophobicContact CE1-CB 3.88Å; Y19-Q70 HydrophobicContact CE1-CG 3.81Å; Y19-Q70 HydrophobicContact CE2-CB 3.93Å; Y19-Q70 HydrophobicContact CE2-CG 4.43Å; Y19-Q70 WeakPolarHBondContact OH-CG 3.4Å; A40-Q70 HydrophobicContact CB-CB 3.94Å; A40-Q70 HydrophobicContact CB-CG 4.44Å; A66-Q70 PolarHBondContact O-N 2.75Å; E67-Q70 PolarHBondContact O-N 3.46Å; Q70-Q72 PolarHBondContact O-N 3.37Å; Q70-A73 PolarHBondContact O-N 3.13Å; Q70-A73 VanDerWaalsContact O-N 3.08Å; Q70-E74 HydrophobicContact CG-CG 4.34Å; Q70-E74 VanDerWaalsContact CG-OE1 3.29Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.48Å; Q70-E74 PolarHBondContact NE2-OE1 3.09Å; Q70-E74 WeakPolarHBondContact O-CG 3.4Å; Q70-E74 PolarHBondContact O-N 3.46Å; Q70-Y82 PolarHBondContact NE2-OH 3.05Å
71K98.1Very high96.8Very high117 Ų11756.4 Ų56.451%0.50927%0.271SS..Hα-helixtrans-59.8-33.3-178.8-71.4169.6-173.2161.50112E67 R75E67-K71 WeakPolarHBondContact O-CB 3.3Å; E67-K71 VanDerWaalsContact O-CG 3.27Å; E67-K71 WeakPolarHBondContact O-CG 3.33Å; E67-K71 PolarHBondContact O-N 3.38Å; E67-K71 IonicContact OE1-NZ 2.67Å; E67-K71 PolarHBondContact OE1-NZ 3.48Å; K71-R75 WeakPolarHBondContact O-CB 3.45Å; K71-R75 PolarHBondContact O-N 3.31Å
72Q97.8Very high96.9Very high90 Ų9059.3 Ų59.342%0.42128%0.279SS..Hα-helixtrans-67.5-42.5176.8-170.5177.911.200112.1L23 K68 M69 Q70 F76L23-Q72 HydrophobicContact CD1-CG 4.03Å; L23-Q72 HydrophobicContact CD2-CG 3.95Å; K68-Q72 VanDerWaalsContact O-CB 3.26Å; K68-Q72 WeakPolarHBondContact O-CB 3.43Å; K68-Q72 PolarHBondContact O-N 3.11Å; M69-Q72 PolarHBondContact O-N 2.92Å; Q70-Q72 PolarHBondContact O-N 3.37Å; Q72-F76 WeakPolarHBondContact O-CD2 3.23Å
73A98.3Very high97.1Very high0 Ų059.4 Ų59.40%028%0.279CS..Hα-helixtrans-65.6-48.2175.300000111.3Y19 A22 L23 M69 Q70 R75 F76 V78Y19-A73 HydrophobicContact CD1-CB 4.01Å; A22-A73 HydrophobicContact CB-CB 4.44Å; L23-A73 HydrophobicContact CB-CB 4.26Å; M69-A73 PolarHBondContact O-N 2.05Å; M69-A73 VanDerWaalsContact O-N 3.14Å; Q70-A73 PolarHBondContact O-N 3.13Å; Q70-A73 VanDerWaalsContact O-N 3.08Å; A73-R75 VanDerWaalsContact C-N 3.27Å; A73-R75 PolarHBondContact O-N 3.25Å; A73-F76 PolarHBondContact O-N 3.07Å; A73-V78 HydrophobicContact CB-CB 4.09Å; A73-V78 HydrophobicContact CB-CG1 4.36Å; A73-V78 HydrophobicContact CB-CG2 4.01Å; A73-V78 WeakPolarHBondContact O-CB 3.47Å; A73-V78 WeakPolarHBondContact O-CG2 3.48Å; A73-V78 PolarHBondContact O-N 3.28Å
74E97.7Very high97.2Very high72 Ų7258.9 Ų58.934%0.33628%0.278SS..Hα-helixtrans-61-34.3179.8-71173.7173.800112.6Q70 F76 G77 V78 S80Q70-E74 HydrophobicContact CG-CG 4.34Å; Q70-E74 VanDerWaalsContact CG-OE1 3.29Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.48Å; Q70-E74 PolarHBondContact NE2-OE1 3.09Å; Q70-E74 WeakPolarHBondContact O-CG 3.4Å; Q70-E74 PolarHBondContact O-N 3.46Å; E74-F76 PolarHBondContact O-N 2.85Å; E74-F76 VanDerWaalsContact O-N 3.16Å; E74-G77 PolarHBondContact O-N 3.14Å; E74-V78 WeakPolarHBondContact CA-O 3.37Å; E74-S80 WeakPolarHBondContact OE1-CB 3.08Å; E74-S80 PolarHBondContact OE1-OG 2.97Å
75R98.1Very high97.3Very high179 Ų17957.7 Ų57.768%0.67527%0.27SS*.THydrogen-bonded Turntrans-57.9-27.6173.6-173.6-178.672173.92.4113.3K71 A73K71-R75 WeakPolarHBondContact O-CB 3.45Å; K71-R75 PolarHBondContact O-N 3.31Å; A73-R75 VanDerWaalsContact C-N 3.27Å; A73-R75 PolarHBondContact O-N 3.25Å
76F97.9Very high97.4Very high77 Ų7762.3 Ų62.334%0.33829%0.294SS..THydrogen-bonded Turntrans-93.78.1176.2-75.1-79.3000113.4L23 A26 R27 Q72 A73 E74L23-F76 HydrophobicContact CD1-CD2 3.32Å; L23-F76 HydrophobicContact CD1-CE2 3.68Å; L23-F76 HydrophobicContact CD1-CG 4.26Å; A26-F76 HydrophobicContact CB-CB 3.92Å; R27-F76 HydrophobicContact CG-CD1 3.74Å; R27-F76 HydrophobicContact CG-CD2 4.11Å; R27-F76 HydrophobicContact CG-CE1 3.87Å; R27-F76 HydrophobicContact CG-CE2 4.21Å; R27-F76 HydrophobicContact CG-CG 3.87Å; R27-F76 HydrophobicContact CG-CZ 4.1Å; Q72-F76 WeakPolarHBondContact O-CD2 3.23Å; A73-F76 PolarHBondContact O-N 3.07Å; E74-F76 PolarHBondContact O-N 2.85Å; E74-F76 VanDerWaalsContact O-N 3.16Å
77G96.6Very high97.4Very high62 Ų6269 Ų6964%0.63932%0.318SS*.THydrogen-bonded Turntrans95.76.1175.600000114.8E74 R79E74-G77 PolarHBondContact O-N 3.14Å; G77-R79 PolarHBondContact O-N 3.25Å
78V98.2Very high97.5Very high8 Ų866.2 Ų66.25%0.04831%0.306CS..PPolyproline II helixtrans-62134.2170175.70000109.4A22 A26 V34 A73 E74A22-V78 HydrophobicContact CB-CB 4.45Å; A22-V78 HydrophobicContact CB-CG1 3.72Å; A22-V78 HydrophobicContact CB-CG2 3.88Å; A22-V78 WeakPolarHBondContact O-CG2 3.25Å; A26-V78 HydrophobicContact CB-CG2 3.47Å; A26-V78 VanDerWaalsContact CB-CG2 3.47Å; V34-V78 HydrophobicContact CG2-CG1 3.77Å; A73-V78 HydrophobicContact CB-CB 4.09Å; A73-V78 HydrophobicContact CB-CG1 4.36Å; A73-V78 HydrophobicContact CB-CG2 4.01Å; A73-V78 WeakPolarHBondContact O-CB 3.47Å; A73-V78 WeakPolarHBondContact O-CG2 3.48Å; A73-V78 PolarHBondContact O-N 3.28Å; E74-V78 WeakPolarHBondContact CA-O 3.37Å
79R95.1Very high97.5Very high103 Ų10363.3 Ų63.339%0.38930%0.296SS..EExtended strand (participates in β ladder)trans-92.6131.9167.6-177.9177174.7174.5-0.6110.3M1 T32 V33 V34 G77 E81M1-R79 PolarHBondContact SD-NH2 3.33Å; T32-R79 PolarHBondContact O-N 3.02Å; V33-R79 CarbonylContact C-O 3.58Å; V33-R79 WeakPolarHBondContact CA-O 3.35Å; V33-R79 HydrophobicContact CG2-CB 4.28Å; V33-R79 HydrophobicContact CG2-CG 4.34Å; V33-R79 WeakPolarHBondContact CG2-O 3.06Å; V34-R79 PolarHBondContact N-O 3.05Å; G77-R79 PolarHBondContact O-N 3.25Å; R79-E81 IonicContact CZ-OE2 2.88Å; R79-E81 IonicContact NE-OE2 3.27Å; R79-E81 PolarHBondContact NE-OE2 3Å; R79-E81 IonicContact NH2-OE1 3.9Å; R79-E81 PolarHBondContact NH2-OE1 3.16Å; R79-E81 IonicContact NH2-OE2 4Å; R79-E81 PolarHBondContact NH2-OE2 2.94Å
80S96.5Very high97.5Very high18 Ų1862.7 Ų62.713%0.12629%0.293CS..EExtended strand (participates in β ladder)trans-97121.4165.5-51.90000108.2E74E74-S80 WeakPolarHBondContact OE1-CB 3.08Å; E74-S80 PolarHBondContact OE1-OG 2.97Å
81E96.8Very high97.4Very high30 Ų3066.6 Ų66.614%0.1432%0.318CS..EExtended strand (participates in β ladder)trans-108.3125.6170.9-161.870.2-16700109.4M1 V33 V34 L35 E36 R79 A83 F104M1-E81 VanDerWaalsContact CE-CD 3.4Å; M1-E81 HydrophobicContact CE-CG 4.11Å; M1-E81 WeakPolarHBondContact CE-OE1 3.32Å; V33-E81 HydrophobicContact CG2-CB 4.09Å; V34-E81 PolarHBondContact O-N 2.96Å; L35-E81 HydrophobicContact CD2-CB 4.03Å; E36-E81 PolarHBondContact N-O 3.39Å; R79-E81 IonicContact CZ-OE2 2.88Å; R79-E81 IonicContact NE-OE2 3.27Å; R79-E81 PolarHBondContact NE-OE2 3Å; R79-E81 IonicContact NH2-OE1 3.9Å; R79-E81 PolarHBondContact NH2-OE1 3.16Å; R79-E81 IonicContact NH2-OE2 4Å; R79-E81 PolarHBondContact NH2-OE2 2.94Å; E81-A83 VanDerWaalsContact C-N 3.32Å; E81-A83 HydrophobicContact CG-CB 4.12Å; E81-A83 PolarHBondContact O-N 2.89Å; E81-F104 HydrophobicContact CB-CZ 4.43Å; E81-F104 HydrophobicContact CG-CZ 3.95Å
82Y96.2Very high97.3Very high119 Ų11962.2 Ų62.247%0.46730%0.304SS..EExtended strand (participates in β ladder)trans-80.783.2174.8-66.2-74.5000109.9E36 Q70E36-Y82 HydrophobicContact CG-CD1 4.43Å; E36-Y82 HydrophobicContact CG-CE1 4.43Å; E36-Y82 CarbonylContact O-C 3.49Å; E36-Y82 WeakPolarHBondContact O-CA 3.38Å; Q70-Y82 PolarHBondContact NE2-OH 3.05Å
83A96.1Very high97.2Very high2 Ų265.8 Ų65.82%0.01732%0.324CS..  trans-141.5132.3-17500000110.9E36 E81 E101E36-A83 CarbonylContact C-O 3.56Å; E36-A83 PolarHBondContact O-N 2.78Å; E81-A83 VanDerWaalsContact C-N 3.32Å; E81-A83 HydrophobicContact CG-CB 4.12Å; E81-A83 PolarHBondContact O-N 2.89Å; A83-E101 HydrophobicContact CB-CB 3.95Å; A83-E101 HydrophobicContact CB-CG 3.72Å
84E97.3Very high97.1Very high98 Ų9867.9 Ų67.946%0.45834%0.338SS..  trans-83.1125.5172.9-175.9174.3-159.100109.7K37 L86 T99 S100K37-E84 HydrophobicContact CB-CB 4.07Å; K37-E84 HydrophobicContact CB-CG 4.26Å; E84-L86 HydrophobicContact CB-CD2 4.42Å; E84-L86 HydrophobicContact CG-CD2 3.95Å; E84-L86 PolarHBondContact O-N 2.75Å; E84-T99 CarbonylContact O-C 3.22Å; E84-T99 WeakPolarHBondContact O-CA 3.28Å; E84-T99 VanDerWaalsContact O-CB 3.27Å; E84-T99 WeakPolarHBondContact O-CB 3.26Å; E84-S100 PolarHBondContact N-OG 2.99Å; E84-S100 VanDerWaalsContact N-OG 3.11Å; E84-S100 PolarHBondContact O-N 2.86Å
85V98.1Very high97.1Very high13 Ų1365 Ų658%0.07932%0.324CS..EExtended strand (participates in β ladder)trans-75.1119.3170.2178.60000109V12 L35 M88 L97 T99 L247V12-V85 HydrophobicContact CG1-CB 4.18Å; V12-V85 HydrophobicContact CG1-CG2 3.72Å; V12-V85 HydrophobicContact CG2-CG2 4.2Å; L35-V85 HydrophobicContact CB-CG2 4.12Å; L35-V85 HydrophobicContact CD1-CG2 3.75Å; V85-M88 HydrophobicContact CG1-CG 3.63Å; V85-M88 HydrophobicContact CG1-SD 4.19Å; V85-L97 HydrophobicContact CG1-CB 4.43Å; V85-L97 HydrophobicContact CG1-CD2 3.83Å; V85-L97 HydrophobicContact CG1-CG 4.45Å; V85-L97 HydrophobicContact CG2-CD2 3.89Å; V85-T99 HydrophobicContact CG2-CG2 4.06Å; V85-L247 HydrophobicContact CB-CD1 4.02Å; V85-L247 HydrophobicContact CG1-CD1 3.74Å
86L97.7Very high97.1Very high102 Ų10257.9 Ų57.953%0.53430%0.299SS..EExtended strand (participates in β ladder)trans-99.9-32.1-177-58.1176000112E84 E98 L247E84-L86 HydrophobicContact CB-CD2 4.42Å; E84-L86 HydrophobicContact CG-CD2 3.95Å; E84-L86 PolarHBondContact O-N 2.75Å; L86-E98 PolarHBondContact N-O 3.49Å; L86-L247 VanDerWaalsContact O-CD2 3.27Å; L86-L247 WeakPolarHBondContact O-CD2 3.39Å
87R97.8Very high97.1Very high140 Ų14054.2 Ų54.253%0.52828%0.283SS..EExtended strand (participates in β ladder)trans-152.8148.7-179-179.7178.4133.897.17.7110.4E98R87-E98 HydrophobicContact CB-CB 4.19Å; R87-E98 IonicContact CZ-OE1 3.79Å; R87-E98 PolarHBondContact N-O 3.29Å; R87-E98 IonicContact NE-OE1 2.87Å; R87-E98 PolarHBondContact NE-OE1 2.85Å; R87-E98 IonicContact NE-OE2 3.86Å; R87-E98 IonicContact NH2-OE1 3.83Å; R87-E98 PolarHBondContact O-N 3.33Å
88M98.2Very high97.1Very high8 Ų854.5 Ų54.54%0.03927%0.268CS..EExtended strand (participates in β ladder)trans-130.8140.5176.4-53.2-169.6-69.200110V85 L90 L96 L97 L111 L247 Q251V85-M88 HydrophobicContact CG1-CG 3.63Å; V85-M88 HydrophobicContact CG1-SD 4.19Å; M88-L90 HydrophobicContact CB-CD2 4.14Å; M88-L90 HydrophobicContact CB-CG 4.13Å; M88-L90 HydrophobicContact CE-CD1 4.19Å; M88-L90 HydrophobicContact SD-CD2 4.17Å; M88-L96 WeakPolarHBondContact CA-O 3.32Å; M88-L97 HydrophobicContact CB-CG 4.46Å; M88-L97 HydrophobicContact CG-CD2 3.94Å; M88-L97 HydrophobicContact CG-CG 3.95Å; M88-L97 HydrophobicContact SD-CD2 3.74Å; M88-L97 HydrophobicContact SD-CG 4.25Å; M88-L111 HydrophobicContact CE-CD1 4.34Å; M88-L111 HydrophobicContact CE-CD2 3.74Å; M88-L111 HydrophobicContact SD-CD2 3.7Å; M88-L247 HydrophobicContact CE-CB 3.47Å; M88-L247 VanDerWaalsContact CE-CB 3.47Å; M88-L247 HydrophobicContact CE-CD1 4.42Å; M88-Q251 PolarHBondContact O-NE2 2.85Å; M88-Q251 PolarHBondContact O-OE1 3.31Å
89D98Very high97.1Very high55 Ų5554.8 Ų54.829%0.29427%0.269SS..EExtended strand (participates in β ladder)trans-11597.1161.1-175.8-15000107.8T91 A92 L96D89-T91 VanDerWaalsContact C-N 3.34Å; D89-T91 PolarHBondContact OD1-N 2.6Å; D89-T91 PolarHBondContact OD1-OG1 3.33Å; D89-T91 VanDerWaalsContact OD1-OG1 3.12Å; D89-A92 HydrophobicContact CB-CB 4.2Å; D89-A92 PolarHBondContact OD1-N 2.86Å; D89-L96 HydrophobicContact CB-CB 4.35Å; D89-L96 PolarHBondContact N-O 2.78Å; D89-L96 PolarHBondContact O-N 2.87Å
90L98.3Very high97.2Very high0 Ų052.9 Ų52.90%027%0.272CS..SBendtrans-83-11.1-174.6-64.3178.1000113.5M88 K95 V109 Q251 L252 I270 V273M88-L90 HydrophobicContact CB-CD2 4.14Å; M88-L90 HydrophobicContact CB-CG 4.13Å; M88-L90 HydrophobicContact CE-CD1 4.19Å; M88-L90 HydrophobicContact SD-CD2 4.17Å; L90-K95 PolarHBondContact O-NZ 2.83Å; L90-V109 HydrophobicContact CD2-CB 4.35Å; L90-V109 HydrophobicContact CD2-CG1 4.24Å; L90-V109 HydrophobicContact CD2-CG2 4.22Å; L90-Q251 HydrophobicContact CD1-CB 4.42Å; L90-L252 HydrophobicContact CD1-CD1 4.11Å; L90-L252 HydrophobicContact CD1-CD2 4.19Å; L90-L252 HydrophobicContact CD1-CG 4.08Å; L90-I270 HydrophobicContact CB-CD1 3.74Å; L90-I270 HydrophobicContact CD1-CD1 4.43Å; L90-V273 HydrophobicContact CB-CG2 4.23Å; L90-V273 HydrophobicContact CD1-CG1 4.24Å; L90-V273 HydrophobicContact CD2-CG1 4.47Å; L90-V273 HydrophobicContact CD2-CG2 4.15Å
91T96.6Very high97.1Very high105 Ų10557.3 Ų57.364%0.64429%0.291SS*.SBendtrans-97.2-17.2178.464.10000112.5D89 I270D89-T91 VanDerWaalsContact C-N 3.34Å; D89-T91 PolarHBondContact OD1-N 2.6Å; D89-T91 PolarHBondContact OD1-OG1 3.33Å; D89-T91 VanDerWaalsContact OD1-OG1 3.12Å; T91-I270 HydrophobicContact CG2-CD1 4.07Å
92A96.9Very high97Very high25 Ų2557.2 Ų57.221%0.20730%0.298CS..SBendtrans-55.5148.8167.600000112.5D89 P94 K95 L96D89-A92 HydrophobicContact CB-CB 4.2Å; D89-A92 PolarHBondContact OD1-N 2.86Å; A92-P94 VanDerWaalsContact C-C 3.49Å; A92-P94 CarbonylContact C-O 3.56Å; A92-P94 VanDerWaalsContact C-O 3.28Å; A92-P94 WeakPolarHBondContact CB-O 3.35Å; A92-P94 CarbonylContact O-C 3.52Å; A92-K95 VanDerWaalsContact O-CA 3.31Å; A92-K95 WeakPolarHBondContact O-CA 3.24Å; A92-K95 PolarHBondContact O-N 3.49Å; A92-K95 VanDerWaalsContact O-N 3.12Å; A92-L96 HydrophobicContact CB-CB 4.33Å
93I94.4Very high97.1Very high166 Ų16654.7 Ų54.785%0.85129%0.292SS*.SBendtrans-126.2111.4176.3-57.1177.4000108.7
94P96.1Very high97.2Very high43 Ų4355 Ų5528%0.27929%0.293SS..SBendcis-63.4159.5-9.930.2-36.7000112.1V6 A92 R105 G106V6-P94 HydrophobicContact CG1-CB 3.71Å; V6-P94 HydrophobicContact CG1-CG 3.86Å; V6-P94 HydrophobicContact CG2-CG 4.01Å; A92-P94 VanDerWaalsContact C-C 3.49Å; A92-P94 CarbonylContact C-O 3.56Å; A92-P94 VanDerWaalsContact C-O 3.28Å; A92-P94 WeakPolarHBondContact CB-O 3.35Å; A92-P94 CarbonylContact O-C 3.52Å; P94-R105 HydrophobicContact CB-CB 4.41Å; P94-R105 HydrophobicContact CG-CB 3.95Å; P94-R105 HydrophobicContact CG-CG 4.35Å; P94-G106 WeakPolarHBondContact CB-O 3.49Å
95K97.8Very high97.2Very high11 Ų1153.5 Ų53.55%0.04828%0.283CS..EExtended strand (participates in β ladder)trans-59.6145.7177.2-57.2180-176.7-51.20109.6L90 A92 R105 G106 V109 P271 G272 V273L90-K95 PolarHBondContact O-NZ 2.83Å; A92-K95 VanDerWaalsContact O-CA 3.31Å; A92-K95 WeakPolarHBondContact O-CA 3.24Å; A92-K95 PolarHBondContact O-N 3.49Å; A92-K95 VanDerWaalsContact O-N 3.12Å; K95-R105 CarbonylContact O-C 3.21Å; K95-R105 VanDerWaalsContact O-CA 3.26Å; K95-R105 WeakPolarHBondContact O-CA 3.46Å; K95-G106 WeakPolarHBondContact CB-O 3.31Å; K95-G106 PolarHBondContact N-O 3.26Å; K95-G106 PolarHBondContact O-N 3.44Å; K95-V109 HydrophobicContact CB-CG2 3.87Å; K95-V109 HydrophobicContact CD-CB 4.19Å; K95-V109 HydrophobicContact CD-CG2 3.63Å; K95-V109 HydrophobicContact CG-CG2 4.39Å; K95-P271 WeakPolarHBondContact CE-O 3.32Å; K95-P271 PolarHBondContact NZ-O 3.35Å; K95-G272 VanDerWaalsContact CE-C 3.49Å; K95-G272 VanDerWaalsContact CE-O 3.28Å; K95-G272 WeakPolarHBondContact CE-O 3.21Å; K95-V273 HydrophobicContact CD-CG2 3.72Å
96L97.9Very high97.2Very high30 Ų3052.9 Ų52.916%0.15728%0.279CS..EExtended strand (participates in β ladder)trans-124.2130.5-171-174.6155.4000110.8M88 D89 A92 E98 I103M88-L96 WeakPolarHBondContact CA-O 3.32Å; D89-L96 HydrophobicContact CB-CB 4.35Å; D89-L96 PolarHBondContact N-O 2.78Å; D89-L96 PolarHBondContact O-N 2.87Å; A92-L96 HydrophobicContact CB-CB 4.33Å; L96-E98 HydrophobicContact CD2-CG 3.65Å; L96-I103 HydrophobicContact CD1-CG2 4.06Å; L96-I103 HydrophobicContact CD2-CG2 4.15Å; L96-I103 HydrophobicContact CG-CG2 3.79Å
97L98Very high97.2Very high0 Ų052.7 Ų52.70%027%0.274CS..EExtended strand (participates in β ladder)trans-122.5122.3173.7-72.190.3000109.4L10 V12 L35 V85 M88 I103 F104 V109L10-L97 HydrophobicContact CB-CD1 4.35Å; L10-L97 HydrophobicContact CD1-CD1 3.26Å; L10-L97 HydrophobicContact CD1-CG 4.37Å; L10-L97 HydrophobicContact CG-CD1 4.42Å; V12-L97 HydrophobicContact CG2-CD2 3.31Å; L35-L97 HydrophobicContact CD1-CB 4.48Å; L35-L97 HydrophobicContact CD1-CD2 4.17Å; V85-L97 HydrophobicContact CG1-CB 4.43Å; V85-L97 HydrophobicContact CG1-CD2 3.83Å; V85-L97 HydrophobicContact CG1-CG 4.45Å; V85-L97 HydrophobicContact CG2-CD2 3.89Å; M88-L97 HydrophobicContact CB-CG 4.46Å; M88-L97 HydrophobicContact CG-CD2 3.94Å; M88-L97 HydrophobicContact CG-CG 3.95Å; M88-L97 HydrophobicContact SD-CD2 3.74Å; M88-L97 HydrophobicContact SD-CG 4.25Å; L97-I103 WeakPolarHBondContact O-CA 3.46Å; L97-F104 PolarHBondContact N-O 2.79Å; L97-F104 PolarHBondContact O-N 3.17Å; L97-V109 HydrophobicContact CD1-CG2 3.67Å
98E97.7Very high97.2Very high69 Ų6946 Ų4632%0.32225%0.249SC..EExtended strand (participates in β ladder)trans-92.1126.5171.6-59.9173.2-145.700108.2L86 R87 L96 I103L86-E98 PolarHBondContact N-O 3.49Å; R87-E98 HydrophobicContact CB-CB 4.19Å; R87-E98 IonicContact CZ-OE1 3.79Å; R87-E98 PolarHBondContact N-O 3.29Å; R87-E98 IonicContact NE-OE1 2.87Å; R87-E98 PolarHBondContact NE-OE1 2.85Å; R87-E98 IonicContact NE-OE2 3.86Å; R87-E98 IonicContact NH2-OE1 3.83Å; R87-E98 PolarHBondContact O-N 3.33Å; L96-E98 HydrophobicContact CD2-CG 3.65Å; E98-I103 HydrophobicContact CG-CG1 4.36Å
99T97.5Very high97.2Very high13 Ų1345.7 Ų45.78%0.0825%0.247CC..EExtended strand (participates in β ladder)trans-127.4170.7-175.276.20000111.6L35 E84 V85 E101 G102 F104L35-T99 HydrophobicContact CD1-CG2 4.06Å; E84-T99 CarbonylContact O-C 3.22Å; E84-T99 WeakPolarHBondContact O-CA 3.28Å; E84-T99 VanDerWaalsContact O-CB 3.27Å; E84-T99 WeakPolarHBondContact O-CB 3.26Å; V85-T99 HydrophobicContact CG2-CG2 4.06Å; T99-E101 PolarHBondContact O-N 3.49Å; T99-E101 PolarHBondContact OG1-N 2.8Å; T99-E101 VanDerWaalsContact OG1-N 3.15Å; T99-G102 WeakPolarHBondContact CA-O 3.45Å; T99-G102 WeakPolarHBondContact CB-O 3.33Å; T99-G102 PolarHBondContact N-O 3.19Å; T99-G102 PolarHBondContact O-N 2.92Å; T99-G102 PolarHBondContact OG1-N 2.87Å; T99-G102 PolarHBondContact OG1-O 3.09Å; T99-F104 HydrophobicContact CG2-CD2 3.74Å; T99-F104 HydrophobicContact CG2-CE2 4.24Å
100S96.9Very high97.3Very high63 Ų6343 Ų4344%0.44123%0.233SC..THydrogen-bonded Turntrans-56.5-28169.960.10000113.5E84E84-S100 PolarHBondContact N-OG 2.99Å; E84-S100 VanDerWaalsContact N-OG 3.11Å; E84-S100 PolarHBondContact O-N 2.86Å
101E95.2Very high97.3Very high112 Ų11243.2 Ų43.252%0.52323%0.234SC..THydrogen-bonded Turntrans-102.211-177.9-59.8-53.7126.900113.2A83 T99A83-E101 HydrophobicContact CB-CB 3.95Å; A83-E101 HydrophobicContact CB-CG 3.72Å; T99-E101 PolarHBondContact O-N 3.49Å; T99-E101 PolarHBondContact OG1-N 2.8Å; T99-E101 VanDerWaalsContact OG1-N 3.15Å
102G95.3Very high97.4Very high28 Ų2838.7 Ų38.729%0.28921%0.207SC..EExtended strand (participates in β ladder)trans111.2-159.1178.500000114T99T99-G102 WeakPolarHBondContact CA-O 3.45Å; T99-G102 WeakPolarHBondContact CB-O 3.33Å; T99-G102 PolarHBondContact N-O 3.19Å; T99-G102 PolarHBondContact O-N 2.92Å; T99-G102 PolarHBondContact OG1-N 2.87Å; T99-G102 PolarHBondContact OG1-O 3.09Å
103I96.8Very high97.4Very high66 Ų6639.6 Ų39.634%0.33821%0.21SC..EExtended strand (participates in β ladder)trans-98.8129.2-171.2-61.2176.8000110.5L96 L97 E98 R105L96-I103 HydrophobicContact CD1-CG2 4.06Å; L96-I103 HydrophobicContact CD2-CG2 4.15Å; L96-I103 HydrophobicContact CG-CG2 3.79Å; L97-I103 WeakPolarHBondContact O-CA 3.46Å; E98-I103 HydrophobicContact CG-CG1 4.36Å; I103-R105 HydrophobicContact CG2-CG 4.4Å
104F97.8Very high97.6Very high7 Ų732.4 Ų32.43%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-110.5140.2172-71.9-101.1000110M1 Y7 L10 V33 L35 E81 L97 T99M1-F104 HydrophobicContact CE-CZ 3.97Å; M1-F104 HydrophobicContact SD-CE1 4.04Å; M1-F104 HydrophobicContact SD-CZ 3.69Å; Y7-F104 HydrophobicContact CD2-CD1 4.4Å; Y7-F104 AromaticContact CE2-CD1 3.72Å; Y7-F104 HydrophobicContact CE2-CD1 3.72Å; Y7-F104 HydrophobicContact CE2-CE1 4.14Å; L10-F104 HydrophobicContact CD1-CB 4.12Å; L10-F104 HydrophobicContact CD2-CB 4.14Å; V33-F104 HydrophobicContact CG1-CD1 4.16Å; V33-F104 HydrophobicContact CG2-CE1 4.39Å; L35-F104 HydrophobicContact CD1-CB 4.39Å; L35-F104 HydrophobicContact CD1-CG 4.36Å; L35-F104 HydrophobicContact CD2-CD1 3.9Å; L35-F104 HydrophobicContact CD2-CD2 4.08Å; L35-F104 HydrophobicContact CD2-CE1 3.89Å; L35-F104 HydrophobicContact CD2-CE2 4.08Å; L35-F104 HydrophobicContact CD2-CG 4.01Å; L35-F104 HydrophobicContact CD2-CZ 3.99Å; E81-F104 HydrophobicContact CB-CZ 4.43Å; E81-F104 HydrophobicContact CG-CZ 3.95Å; L97-F104 PolarHBondContact N-O 2.79Å; L97-F104 PolarHBondContact O-N 3.17Å; T99-F104 HydrophobicContact CG2-CD2 3.74Å; T99-F104 HydrophobicContact CG2-CE2 4.24Å
105R98.1Very high97.5Very high68 Ų6830.6 Ų30.626%0.25717%0.165SC..EExtended strand (participates in β ladder)trans-123.5139.4177.5-70.8-178179.8872110.8N3 V6 Y7 P94 K95 I103N3-R105 PolarHBondContact O-NH1 3.22Å; V6-R105 HydrophobicContact CG2-CB 4.16Å; Y7-R105 PolarHBondContact N-O 3.14Å; P94-R105 HydrophobicContact CB-CB 4.41Å; P94-R105 HydrophobicContact CG-CB 3.95Å; P94-R105 HydrophobicContact CG-CG 4.35Å; K95-R105 CarbonylContact O-C 3.21Å; K95-R105 VanDerWaalsContact O-CA 3.26Å; K95-R105 WeakPolarHBondContact O-CA 3.46Å; I103-R105 HydrophobicContact CG2-CG 4.4Å
106G97.4Very high97.2Very high0 Ų033.8 Ų33.80%018%0.183CC..EExtended strand (participates in β ladder)trans-146.9144-174.900000113.5Y7 P94 K95 T108Y7-G106 CarbonylContact O-C 3.35Å; Y7-G106 VanDerWaalsContact O-CA 3.26Å; Y7-G106 WeakPolarHBondContact O-CA 3.13Å; P94-G106 WeakPolarHBondContact CB-O 3.49Å; K95-G106 WeakPolarHBondContact CB-O 3.31Å; K95-G106 PolarHBondContact N-O 3.26Å; K95-G106 PolarHBondContact O-N 3.44Å; G106-T108 VanDerWaalsContact C-N 3.32Å
107K97.8Very high96.9Very high98 Ų9834.7 Ų34.743%0.42619%0.191SC..EExtended strand (participates in β ladder)trans-68.1-36.8169.7-59.7176.7-170.9160.70111.3V6 Y7 D8V6-K107 HydrophobicContact CG1-CG 4.38Å; Y7-K107 PolarHBondContact O-N 3.25Å; D8-K107 WeakPolarHBondContact OD1-CD 3.36Å; D8-K107 WeakPolarHBondContact OD1-CE 3.34Å; D8-K107 IonicContact OD1-NZ 2.71Å; D8-K107 PolarHBondContact OD1-NZ 2.81Å
108T98.6Very high96.8Very high0 Ų040.3 Ų40.30%021%0.212CC..EExtended strand (participates in β ladder)trans-129.5156.7177.264.20000111.9D8 M9 L10 G106 G272 Y274 A301 Y304 I305D8-T108 PolarHBondContact O-N 2.93Å; D8-T108 PolarHBondContact O-OG1 2.83Å; M9-T108 WeakPolarHBondContact CA-OG1 3.44Å; M9-T108 WeakPolarHBondContact CB-OG1 3.47Å; L10-T108 PolarHBondContact N-O 3.18Å; G106-T108 VanDerWaalsContact C-N 3.32Å; T108-G272 CarbonylContact C-O 3.58Å; T108-G272 VanDerWaalsContact CA-O 3.24Å; T108-G272 WeakPolarHBondContact CA-O 3.39Å; T108-G272 WeakPolarHBondContact CB-O 3.43Å; T108-Y274 HydrophobicContact CG2-CE2 4.48Å; T108-A301 HydrophobicContact CG2-CB 4.42Å; T108-Y304 HydrophobicContact CG2-CD1 3.62Å; T108-Y304 HydrophobicContact CG2-CE1 3.98Å; T108-I305 HydrophobicContact CG2-CD1 3.95Å; T108-I305 HydrophobicContact CG2-CG1 3.78Å
109V98.8Very high96.6Very high0 Ų041.1 Ų41.10%022%0.222CC..EExtended strand (participates in β ladder)trans-132132177.1175.60000109.7L10 V12 L90 K95 L97 L111 G272 V273 Y274L10-V109 HydrophobicContact CB-CG2 4.29Å; L10-V109 CarbonylContact O-C 3.43Å; L10-V109 VanDerWaalsContact O-CA 3.29Å; L10-V109 WeakPolarHBondContact O-CA 3.45Å; V12-V109 HydrophobicContact CG2-CG1 4.22Å; L90-V109 HydrophobicContact CD2-CB 4.35Å; L90-V109 HydrophobicContact CD2-CG1 4.24Å; L90-V109 HydrophobicContact CD2-CG2 4.22Å; K95-V109 HydrophobicContact CB-CG2 3.87Å; K95-V109 HydrophobicContact CD-CB 4.19Å; K95-V109 HydrophobicContact CD-CG2 3.63Å; K95-V109 HydrophobicContact CG-CG2 4.39Å; L97-V109 HydrophobicContact CD1-CG2 3.67Å; V109-L111 HydrophobicContact CG1-CD2 3.72Å; V109-L111 HydrophobicContact CG1-CG 4.24Å; V109-G272 PolarHBondContact N-O 3.11Å; V109-V273 HydrophobicContact CB-CG1 4.49Å; V109-V273 WeakPolarHBondContact O-CA 3.45Å; V109-Y274 PolarHBondContact O-N 3.04Å
110V98.9Very high96.6Very high0 Ų042.4 Ų42.40%023%0.228CC..EExtended strand (participates in β ladder)trans-110.1116.3169.31780000108.7M9 L10 V11 V12 A21 A112 Y274 V276 A297M9-V110 HydrophobicContact CE-CG2 3.9Å; M9-V110 HydrophobicContact CG-CG2 4.18Å; M9-V110 HydrophobicContact SD-CG2 3.62Å; L10-V110 PolarHBondContact O-N 3.37Å; V11-V110 HydrophobicContact CG1-CB 4.47Å; V11-V110 HydrophobicContact CG2-CB 4.3Å; V12-V110 PolarHBondContact N-O 2.91Å; A21-V110 HydrophobicContact CB-CG1 4.11Å; A21-V110 HydrophobicContact CB-CG2 4.47Å; V110-A112 PolarHBondContact O-N 2.98Å; V110-Y274 HydrophobicContact CG2-CD2 4.37Å; V110-V276 HydrophobicContact CG1-CB 4.35Å; V110-V276 HydrophobicContact CG1-CG1 3.82Å; V110-V276 HydrophobicContact CG1-CG2 3.56Å; V110-A297 HydrophobicContact CG2-CB 4.34Å
111L98.8Very high96.5Very high3 Ų342.5 Ų42.52%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-87.6103.8175.2-58.4179.2000109.4V12 M88 V109 L252 I260 V273 Y274 A275 V276 V279V12-L111 HydrophobicContact CB-CD2 4.23Å; V12-L111 HydrophobicContact CG2-CD2 4.09Å; M88-L111 HydrophobicContact CE-CD1 4.34Å; M88-L111 HydrophobicContact CE-CD2 3.74Å; M88-L111 HydrophobicContact SD-CD2 3.7Å; V109-L111 HydrophobicContact CG1-CD2 3.72Å; V109-L111 HydrophobicContact CG1-CG 4.24Å; L111-L252 HydrophobicContact CD1-CD1 3.45Å; L111-L252 VanDerWaalsContact CD1-CD1 3.45Å; L111-I260 HydrophobicContact CB-CD1 4.33Å; L111-I260 HydrophobicContact CD1-CD1 3.77Å; L111-V273 HydrophobicContact CD1-CG1 4.11Å; L111-V273 HydrophobicContact CG-CG1 4.28Å; L111-Y274 PolarHBondContact N-O 3.25Å; L111-A275 WeakPolarHBondContact O-CA 3.42Å; L111-V276 PolarHBondContact O-N 3.08Å; L111-V279 WeakPolarHBondContact O-CG1 3.27Å
112A98.5Very high96.6Very high10 Ų1038.4 Ų38.48%0.08322%0.221CC..  trans-116.532.3179.200000111.6V11 V12 V110 G114 V276V11-A112 HydrophobicContact CG1-CB 4.46Å; V12-A112 CarbonylContact O-C 3.57Å; V12-A112 VanDerWaalsContact O-CA 3.23Å; V12-A112 WeakPolarHBondContact O-CA 3.36Å; V12-A112 WeakPolarHBondContact O-CB 3.5Å; V12-A112 PolarHBondContact O-N 2.84Å; V110-A112 PolarHBondContact O-N 2.98Å; A112-G114 PolarHBondContact O-N 2.72Å; A112-G114 VanDerWaalsContact O-N 3.16Å; A112-V276 HydrophobicContact CB-CG2 3.48Å; A112-V276 VanDerWaalsContact CB-CG2 3.48Å
113T97.8Very high96.6Very high45 Ų4541.5 Ų41.528%0.27625%0.245SC..  trans-68.9-13.3-172.7550000114V12 A244 V279V12-T113 HydrophobicContact CB-CG2 4.47Å; V12-T113 HydrophobicContact CG1-CG2 3.77Å; V12-T113 PolarHBondContact O-N 2.88Å; T113-A244 WeakPolarHBondContact O-CB 3.42Å; T113-A244 PolarHBondContact OG1-O 2.85Å; T113-V279 VanDerWaalsContact OG1-CG2 3.26Å; T113-V279 WeakPolarHBondContact OG1-CG2 3.41Å
114G96.9Very high96.5Very high15 Ų1539.6 Ų39.616%0.15524%0.241CC..  trans70.1-136.617600000113A112 A244 V279A112-G114 PolarHBondContact O-N 2.72Å; A112-G114 VanDerWaalsContact O-N 3.16Å; G114-A244 PolarHBondContact O-N 3.16Å; G114-V279 WeakPolarHBondContact O-CA 3.46Å; G114-V279 WeakPolarHBondContact O-CB 3.43Å; G114-V279 PolarHBondContact O-N 3.44Å
115A95.1Very high96.4Very high4 Ų439.7 Ų39.73%0.03324%0.242CC..EExtended strand (participates in β ladder)trans-143.6160.4-177.100000109.4Q43 R241 Q242 D278Q43-A115 PolarHBondContact NE2-O 3.18Å; Q43-A115 PolarHBondContact OE1-O 2.95Å; A115-R241 HydrophobicContact CB-CB 3.92Å; A115-Q242 CarbonylContact C-O 3.5Å; A115-Q242 WeakPolarHBondContact CA-O 3.27Å; A115-Q242 VanDerWaalsContact CB-O 3.28Å; A115-Q242 WeakPolarHBondContact CB-O 3.42Å; A115-D278 HydrophobicContact CB-CB 4.28Å
116D91.9Very high96.2Very high78 Ų7839.9 Ų39.942%0.41726%0.258SS..EExtended strand (participates in β ladder)trans-112155.4174.6-65.8-55.4000110.5R241 Q242D116-R241 CarbonylContact O-C 3.57Å; D116-R241 WeakPolarHBondContact O-CA 3.33Å; D116-R241 VanDerWaalsContact O-CB 3.28Å; D116-R241 WeakPolarHBondContact O-CB 3.24Å; D116-Q242 PolarHBondContact N-O 2.71Å; D116-Q242 PolarHBondContact O-N 3.48Å
117P92Very high96.1Very high50 Ų5045.3 Ų45.333%0.32528%0.283SS..EExtended strand (participates in β ladder)trans-55.9138.6172.6-22.233.5000111.8Y135P117-Y135 HydrophobicContact CB-CD1 3.45Å; P117-Y135 VanDerWaalsContact CB-CD1 3.45Å; P117-Y135 HydrophobicContact CB-CE1 3.96Å; P117-Y135 HydrophobicContact CB-CG 3.88Å; P117-Y135 HydrophobicContact CG-CD1 4.21Å; P117-Y135 HydrophobicContact CG-CG 4.16Å
118R94.4Very high96Very high118 Ų11841 Ų4145%0.44526%0.264SS..PPolyproline II helixtrans-76137.6166-73.4-178.5-175.5-146.2-5.8109.3V239 G240 R241 Q242R118-V239 HydrophobicContact CB-CG2 3.97Å; R118-V239 WeakPolarHBondContact O-CG2 3.21Å; R118-G240 WeakPolarHBondContact CB-O 3.06Å; R118-G240 PolarHBondContact N-O 2.84Å; R118-R241 PolarHBondContact NE-O 3.31Å; R118-Q242 HydrophobicContact CG-CB 4.22Å
119T95.1Very high95.7Very high86 Ų8644.8 Ų44.853%0.52828%0.284SS..PPolyproline II helixtrans-77.1161.7170.973.70000110.5G121 E125 Y135T119-G121 VanDerWaalsContact C-N 3.26Å; T119-G121 PolarHBondContact OG1-N 3.11Å; T119-E125 WeakPolarHBondContact CB-OE2 3.44Å; T119-Y135 WeakPolarHBondContact CG2-OH 3.3Å
120L96.1Very high95.2Very high40 Ų4047.7 Ų47.721%0.20931%0.314CS..  trans-69.2-29.2169-62.6177.1000111.4V122 E125 V152 V205 V235 V237 V239L120-V122 HydrophobicContact CB-CG1 4.26Å; L120-V122 HydrophobicContact CB-CG2 3.97Å; L120-V122 HydrophobicContact CD1-CG2 4.32Å; L120-E125 WeakPolarHBondContact CB-OE1 3.45Å; L120-E125 WeakPolarHBondContact CG-OE1 3.33Å; L120-E125 VanDerWaalsContact N-CD 3.29Å; L120-E125 PolarHBondContact N-OE1 3.2Å; L120-E125 PolarHBondContact N-OE2 3.38Å; L120-V152 HydrophobicContact CD1-CG2 4.44Å; L120-V152 HydrophobicContact CD2-CB 4.02Å; L120-V152 HydrophobicContact CD2-CG1 3.66Å; L120-V152 HydrophobicContact CD2-CG2 4.35Å; L120-V205 HydrophobicContact CD1-CB 4.17Å; L120-V205 HydrophobicContact CD1-CG1 4.1Å; L120-V235 HydrophobicContact CD1-CG1 4.39Å; L120-V237 HydrophobicContact CD1-CG2 3.82Å; L120-V237 HydrophobicContact CD2-CG1 3.75Å; L120-V237 HydrophobicContact CD2-CG2 4.3Å; L120-V237 HydrophobicContact CG-CB 4.47Å; L120-V237 HydrophobicContact CG-CG1 3.8Å; L120-V237 HydrophobicContact CG-CG2 3.79Å; L120-V239 HydrophobicContact CD2-CG1 3.85Å; L120-V239 HydrophobicContact CD2-CG2 4.49Å
121G95.5Very high95Very high65 Ų6553.2 Ų53.267%0.6734%0.335SS*.  trans77.631.1-17800000112.2T119 E125T119-G121 VanDerWaalsContact C-N 3.26Å; T119-G121 PolarHBondContact OG1-N 3.11Å; G121-E125 PolarHBondContact N-OE2 2.98Å
122V96.7Very high94.8Very high25 Ų2553 Ų5315%0.15233%0.334CS..  trans-106.4151.3177.9-62.10000110.4L120 E125 L208L120-V122 HydrophobicContact CB-CG1 4.26Å; L120-V122 HydrophobicContact CB-CG2 3.97Å; L120-V122 HydrophobicContact CD1-CG2 4.32Å; V122-E125 HydrophobicContact CG2-CB 4.14Å; V122-E125 WeakPolarHBondContact O-CB 3.49Å; V122-E125 PolarHBondContact O-N 3.02Å; V122-L208 HydrophobicContact CG2-CD1 3.81Å; V122-L208 HydrophobicContact CG2-CD2 4.35Å; V122-L208 HydrophobicContact CG2-CG 3.7Å
123A96.2Very high94.7Very high94 Ų9452.6 Ų52.678%0.77733%0.33SS*.THydrogen-bonded Turntrans-61.9143.2178.200000111.4E125A123-E125 VanDerWaalsContact C-N 3.27Å; A123-E125 PolarHBondContact O-N 2.87Å
124G94.7Very high94.6Very high26 Ų2650.6 Ų50.627%0.26832%0.318SS..THydrogen-bonded Turntrans83.5-7.2-179.800000114.8E127 L128G124-E127 WeakPolarHBondContact CA-OE2 3.22Å; G124-E127 PolarHBondContact O-N 3.01Å; G124-L128 VanDerWaalsContact O-CB 3.32Å; G124-L128 WeakPolarHBondContact O-CB 3.42Å; G124-L128 VanDerWaalsContact O-CG 3.26Å; G124-L128 WeakPolarHBondContact O-CG 3.32Å; G124-L128 PolarHBondContact O-N 3.49Å
125E96Very high94.5Very high9 Ų952.8 Ų52.84%0.04232%0.322CS..THydrogen-bonded Turntrans-62.8-46.5-173.9-175173.2-16200112.6T119 L120 G121 V122 A123 L128 L129 V133 Y135 L208T119-E125 WeakPolarHBondContact CB-OE2 3.44Å; L120-E125 WeakPolarHBondContact CB-OE1 3.45Å; L120-E125 WeakPolarHBondContact CG-OE1 3.33Å; L120-E125 VanDerWaalsContact N-CD 3.29Å; L120-E125 PolarHBondContact N-OE1 3.2Å; L120-E125 PolarHBondContact N-OE2 3.38Å; G121-E125 PolarHBondContact N-OE2 2.98Å; V122-E125 HydrophobicContact CG2-CB 4.14Å; V122-E125 WeakPolarHBondContact O-CB 3.49Å; V122-E125 PolarHBondContact O-N 3.02Å; A123-E125 VanDerWaalsContact C-N 3.27Å; A123-E125 PolarHBondContact O-N 2.87Å; E125-L128 PolarHBondContact O-N 2.95Å; E125-L129 PolarHBondContact O-N 3.08Å; E125-V133 HydrophobicContact CG-CG1 4.2Å; E125-Y135 PolarHBondContact OE1-OH 2.81Å; E125-L208 HydrophobicContact CB-CD1 3.92Å; E125-L208 HydrophobicContact CG-CD1 4.4Å
126A93.7Very high94.2Very high71 Ų7153.3 Ų53.359%0.58733%0.326SS*.THydrogen-bonded Turntrans-67-39.5179.600000111.5L128 L129A126-L128 VanDerWaalsContact C-N 3.3Å; A126-L128 PolarHBondContact O-N 3.18Å; A126-L129 WeakPolarHBondContact O-CB 3.32Å; A126-L129 WeakPolarHBondContact O-CG 3.43Å; A126-L129 PolarHBondContact O-N 3.29Å
127E94Very high94.2Very high115 Ų11549.7 Ų49.754%0.53731%0.306SS..THydrogen-bonded Turntrans-67.2-33.3179-62.181.4177.600111.7G124 L129 R131G124-E127 WeakPolarHBondContact CA-OE2 3.22Å; G124-E127 PolarHBondContact O-N 3.01Å; E127-L129 VanDerWaalsContact C-N 3.31Å; E127-R131 VanDerWaalsContact O-CZ 3.26Å; E127-R131 PolarHBondContact O-NE 2.75Å; E127-R131 PolarHBondContact O-NH2 2.95Å
128L95.4Very high94.1Very high6 Ų649.5 Ų49.53%0.03131%0.309CS..THydrogen-bonded Turntrans-85.72-179.2-70.8170.4000114G124 E125 A126 G130 R131 G132 V133 L208 L214G124-L128 VanDerWaalsContact O-CB 3.32Å; G124-L128 WeakPolarHBondContact O-CB 3.42Å; G124-L128 VanDerWaalsContact O-CG 3.26Å; G124-L128 WeakPolarHBondContact O-CG 3.32Å; G124-L128 PolarHBondContact O-N 3.49Å; E125-L128 PolarHBondContact O-N 2.95Å; A126-L128 VanDerWaalsContact C-N 3.3Å; A126-L128 PolarHBondContact O-N 3.18Å; L128-G130 PolarHBondContact O-N 3.43Å; L128-R131 HydrophobicContact CD2-CB 4.42Å; L128-R131 CarbonylContact O-C 3.14Å; L128-R131 WeakPolarHBondContact O-CA 3.31Å; L128-R131 PolarHBondContact O-N 3.16Å; L128-G132 PolarHBondContact O-N 3.46Å; L128-V133 HydrophobicContact CB-CB 4.2Å; L128-V133 HydrophobicContact CB-CG2 3.61Å; L128-V133 PolarHBondContact O-N 3.29Å; L128-L208 HydrophobicContact CD1-CB 3.84Å; L128-L208 HydrophobicContact CD1-CD1 3.87Å; L128-L208 HydrophobicContact CD1-CG 4.47Å; L128-L214 HydrophobicContact CD1-CD1 4.02Å
129L92.8Very high93.6Very high81 Ų8146.8 Ų46.842%0.42431%0.308SS..BIsolated β-bridgetrans-58.5127173.6-69.8172.1000111.2E125 A126 E127 R131 V133 Y135E125-L129 PolarHBondContact O-N 3.08Å; A126-L129 WeakPolarHBondContact O-CB 3.32Å; A126-L129 WeakPolarHBondContact O-CG 3.43Å; A126-L129 PolarHBondContact O-N 3.29Å; E127-L129 VanDerWaalsContact C-N 3.31Å; L129-R131 PolarHBondContact O-N 3.37Å; L129-R131 VanDerWaalsContact O-N 3.11Å; L129-V133 HydrophobicContact CD2-CB 4.35Å; L129-V133 HydrophobicContact CD2-CG1 3.9Å; L129-Y135 HydrophobicContact CD2-CD2 3.74Å; L129-Y135 HydrophobicContact CD2-CE2 3.3Å
130G89.2Confident93.4Very high60 Ų6045 Ų4562%0.61930%0.295SS*.THydrogen-bonded Turntrans71.2-5.6-173.400000114.6L128 V133L128-G130 PolarHBondContact O-N 3.43Å; G130-V133 PolarHBondContact N-O 3.31Å; G130-V133 VanDerWaalsContact N-O 3.08Å
131R93.6Very high93.2Very high116 Ų11643.2 Ų43.244%0.43829%0.287SS..THydrogen-bonded Turntrans-113.319.9178.1-62.4-168.3-69.1171.8-7.6113.2E127 L128 L129 R213 L214E127-R131 VanDerWaalsContact O-CZ 3.26Å; E127-R131 PolarHBondContact O-NE 2.75Å; E127-R131 PolarHBondContact O-NH2 2.95Å; L128-R131 HydrophobicContact CD2-CB 4.42Å; L128-R131 CarbonylContact O-C 3.14Å; L128-R131 WeakPolarHBondContact O-CA 3.31Å; L128-R131 PolarHBondContact O-N 3.16Å; L129-R131 PolarHBondContact O-N 3.37Å; L129-R131 VanDerWaalsContact O-N 3.11Å; R131-R213 WeakPolarHBondContact O-CA 3.46Å; R131-R213 WeakPolarHBondContact O-CB 3.43Å; R131-L214 PolarHBondContact O-N 3.28Å
132G95.3Very high93.1Very high0 Ų045.9 Ų45.90%028%0.283CS..THydrogen-bonded Turntrans137.1-21.9178.700000113.1L128 Y144 G234 V235L128-G132 PolarHBondContact O-N 3.46Å; G132-Y144 WeakPolarHBondContact CA-OH 3.28Å; G132-G234 CarbonylContact O-C 3.57Å; G132-G234 VanDerWaalsContact O-CA 3.27Å; G132-G234 WeakPolarHBondContact O-CA 3.45Å; G132-V235 PolarHBondContact O-N 3.15Å
133V97.2Very high92.9Very high1 Ų151.7 Ų51.71%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-99.6132.3171.6178.60000109.5E125 L128 L129 G130 L208 V235 V237E125-V133 HydrophobicContact CG-CG1 4.2Å; L128-V133 HydrophobicContact CB-CB 4.2Å; L128-V133 HydrophobicContact CB-CG2 3.61Å; L128-V133 PolarHBondContact O-N 3.29Å; L129-V133 HydrophobicContact CD2-CB 4.35Å; L129-V133 HydrophobicContact CD2-CG1 3.9Å; G130-V133 PolarHBondContact N-O 3.31Å; G130-V133 VanDerWaalsContact N-O 3.08Å; V133-L208 HydrophobicContact CG2-CD1 3.81Å; V133-V235 WeakPolarHBondContact CA-O 3.37Å; V133-V237 HydrophobicContact CG1-CG2 4.2Å
134A95.2Very high92.9Very high3 Ų347.7 Ų47.73%0.02527%0.271CS..EExtended strand (participates in β ladder)trans-138.8152.1179.300000111.6D140 V235 F236 V237A134-D140 HydrophobicContact CB-CB 4Å; A134-D140 WeakPolarHBondContact CB-OD2 3.32Å; A134-V235 PolarHBondContact N-O 3.23Å; A134-F236 HydrophobicContact CB-CD1 3.72Å; A134-F236 HydrophobicContact CB-CE1 3.64Å; A134-F236 HydrophobicContact CB-CG 4.42Å; A134-F236 HydrophobicContact CB-CZ 4.28Å; A134-F236 CarbonylContact O-C 3.58Å; A134-F236 WeakPolarHBondContact O-CA 3.44Å; A134-V237 PolarHBondContact O-N 2.9Å
135Y93.8Very high93Very high60 Ų6053.7 Ų53.724%0.23529%0.29CS..SBendtrans-115.13174.6-67.3-77000112.9P117 T119 E125 L129 V237P117-Y135 HydrophobicContact CB-CD1 3.45Å; P117-Y135 VanDerWaalsContact CB-CD1 3.45Å; P117-Y135 HydrophobicContact CB-CE1 3.96Å; P117-Y135 HydrophobicContact CB-CG 3.88Å; P117-Y135 HydrophobicContact CG-CD1 4.21Å; P117-Y135 HydrophobicContact CG-CG 4.16Å; T119-Y135 WeakPolarHBondContact CG2-OH 3.3Å; E125-Y135 PolarHBondContact OE1-OH 2.81Å; L129-Y135 HydrophobicContact CD2-CD2 3.74Å; L129-Y135 HydrophobicContact CD2-CE2 3.3Å; Y135-V237 HydrophobicContact CD1-CB 3.7Å; Y135-V237 HydrophobicContact CD1-CG1 4.13Å; Y135-V237 HydrophobicContact CE1-CB 3.52Å; Y135-V237 HydrophobicContact CE1-CG1 3.64Å; Y135-V237 HydrophobicContact CE1-CG2 4.21Å
136C90.5Very high93Very high15 Ų1555.7 Ų55.710%0.10131%0.313CS..  trans-138.5101.1-177.4178.70000110.2L46 A138 C139 D140L46-C136 HydrophobicContact CD1-CB 4.47Å; C136-A138 VanDerWaalsContact C-N 3.29Å; C136-A138 PolarHBondContact O-N 3.05Å; C136-C139 HydrophobicContact CB-CB 3.64Å; C136-C139 WeakPolarHBondContact CB-SG 3.35Å; C136-C139 PolarHBondContact O-N 3.37Å; C136-C139 WeakPolarHBondContact SG-CB 3.33Å; C136-C139 PolarHBondContact SG-N 3.18Å; C136-C139 CovalentContact SG-SG 2.05Å; C136-C139 PolarHBondContact SG-SG 3.22Å; C136-D140 PolarHBondContact O-N 2.91Å; C136-D140 VanDerWaalsContact O-N 3.09Å
137A91.9Very high93.2Very high2 Ų255.9 Ų55.92%0.01730%0.301CS..Hα-helixtrans-61.2-37.7176.500000112.6C139 G141 D161 L164 L165 F236A137-C139 VanDerWaalsContact C-N 3.33Å; A137-C139 PolarHBondContact O-N 3.33Å; A137-G141 WeakPolarHBondContact O-CA 3.26Å; A137-G141 PolarHBondContact O-N 3.08Å; A137-D161 HydrophobicContact CB-CB 3.76Å; A137-D161 WeakPolarHBondContact CB-OD1 3.41Å; A137-L164 HydrophobicContact CB-CD2 4.01Å; A137-L165 HydrophobicContact CB-CD1 4.02Å; A137-L165 HydrophobicContact CB-CD2 4.38Å; A137-L165 HydrophobicContact CB-CG 4.01Å; A137-F236 HydrophobicContact CB-CD1 4.03Å; A137-F236 HydrophobicContact CB-CE1 4.3Å
138A88.4Confident93.4Very high46 Ų4651.8 Ų51.838%0.3828%0.284SS..Hα-helixtrans-66.4-33.3177.800000113.7L46 C136 L164L46-A138 VanDerWaalsContact O-CB 3.25Å; L46-A138 WeakPolarHBondContact O-CB 3.27Å; C136-A138 VanDerWaalsContact C-N 3.29Å; C136-A138 PolarHBondContact O-N 3.05Å; A138-L164 HydrophobicContact CB-CD2 3.93Å
139C85.1Confident93.6Very high62 Ų6251.5 Ų51.542%0.41928%0.282SS..Hα-helixtrans-78.6-49.6-178.2-48.50000111C136 A137C136-C139 HydrophobicContact CB-CB 3.64Å; C136-C139 WeakPolarHBondContact CB-SG 3.35Å; C136-C139 PolarHBondContact O-N 3.37Å; C136-C139 WeakPolarHBondContact SG-CB 3.33Å; C136-C139 PolarHBondContact SG-N 3.18Å; C136-C139 CovalentContact SG-SG 2.05Å; C136-C139 PolarHBondContact SG-SG 3.22Å; A137-C139 VanDerWaalsContact C-N 3.33Å; A137-C139 PolarHBondContact O-N 3.33Å
140D90.8Very high93.9Very high47 Ų4747.7 Ų47.725%0.25126%0.262SS..Hα-helixtrans-102.4-15.5-168.1-61.2-55.9000113.4A134 C136 M142 F143 Y144 F236A134-D140 HydrophobicContact CB-CB 4Å; A134-D140 WeakPolarHBondContact CB-OD2 3.32Å; C136-D140 PolarHBondContact O-N 2.91Å; C136-D140 VanDerWaalsContact O-N 3.09Å; D140-M142 VanDerWaalsContact C-N 3.26Å; D140-M142 PolarHBondContact O-N 3.17Å; D140-M142 VanDerWaalsContact O-N 3.15Å; D140-F143 HydrophobicContact CB-CD2 4.4Å; D140-F143 WeakPolarHBondContact O-CB 3.26Å; D140-F143 WeakPolarHBondContact O-CD2 3.39Å; D140-F143 PolarHBondContact O-N 3Å; D140-Y144 HydrophobicContact CB-CE2 4.35Å; D140-Y144 VanDerWaalsContact O-CD2 3.29Å; D140-Y144 WeakPolarHBondContact O-CD2 3.43Å; D140-F236 HydrophobicContact CB-CE1 4Å; D140-F236 HydrophobicContact CB-CZ 4.31Å
141G92Very high94.3Very high4 Ų444.8 Ų44.84%0.04123%0.233CC..G310 helixtrans-55.8-37.5-17000000113.9A137 F143 Y144 V168A137-G141 WeakPolarHBondContact O-CA 3.26Å; A137-G141 PolarHBondContact O-N 3.08Å; G141-F143 PolarHBondContact O-N 2.97Å; G141-Y144 PolarHBondContact O-N 2.72Å; G141-V168 WeakPolarHBondContact O-CG1 3.45Å
142M92.5Very high94.6Very high121 Ų12139.8 Ų39.860%0.59622%0.215SC*.G310 helixtrans-62.3-26.7179.3-74.3-55.8-59.900114D140 Y144 K145 V168D140-M142 VanDerWaalsContact C-N 3.26Å; D140-M142 PolarHBondContact O-N 3.17Å; D140-M142 VanDerWaalsContact O-N 3.15Å; M142-Y144 PolarHBondContact O-N 3.22Å; M142-K145 PolarHBondContact O-N 3.44Å; M142-V168 HydrophobicContact SD-CG1 3.8Å; M142-V168 HydrophobicContact SD-CG2 3.91Å
143F92.9Very high94.7Very high146 Ų14640.1 Ų40.164%0.6422%0.218SC*.G310 helixtrans-70.6-10.2175-59-59.7000113.6D140 G141 K147D140-F143 HydrophobicContact CB-CD2 4.4Å; D140-F143 WeakPolarHBondContact O-CB 3.26Å; D140-F143 WeakPolarHBondContact O-CD2 3.39Å; D140-F143 PolarHBondContact O-N 3Å; G141-F143 PolarHBondContact O-N 2.97Å; F143-K147 PolarHBondContact O-NZ 2.83Å
144Y95.9Very high94.7Very high11 Ų1140.1 Ų40.14%0.04322%0.218CC..G310 helixtrans-108.117.9178.7-58.8-85.1000112.8G132 D140 G141 M142 G146 K147 V149 D233 F236G132-Y144 WeakPolarHBondContact CA-OH 3.28Å; D140-Y144 HydrophobicContact CB-CE2 4.35Å; D140-Y144 VanDerWaalsContact O-CD2 3.29Å; D140-Y144 WeakPolarHBondContact O-CD2 3.43Å; G141-Y144 PolarHBondContact O-N 2.72Å; M142-Y144 PolarHBondContact O-N 3.22Å; Y144-G146 PolarHBondContact O-N 2.92Å; Y144-K147 HydrophobicContact CD1-CB 4.49Å; Y144-K147 HydrophobicContact CD1-CD 4.11Å; Y144-K147 WeakPolarHBondContact O-CB 3.49Å; Y144-K147 PolarHBondContact O-N 3.2Å; Y144-V149 HydrophobicContact CD1-CG1 3.75Å; Y144-V149 HydrophobicContact CG-CG1 3.66Å; Y144-D233 HydrophobicContact CD1-CB 4.08Å; Y144-D233 HydrophobicContact CE1-CB 4.31Å; Y144-D233 WeakPolarHBondContact CE1-O 3.19Å; Y144-F236 AromaticContact CD2-CE2 3.84Å; Y144-F236 HydrophobicContact CD2-CE2 3.84Å; Y144-F236 AromaticContact CD2-CZ 3.52Å; Y144-F236 HydrophobicContact CD2-CZ 3.52Å; Y144-F236 AromaticContact CE2-CE2 3.95Å; Y144-F236 HydrophobicContact CE2-CE2 3.95Å; Y144-F236 AromaticContact CE2-CZ 3.57Å; Y144-F236 HydrophobicContact CE2-CZ 3.57Å; Y144-F236 HydrophobicContact CG-CE2 4.31Å; Y144-F236 HydrophobicContact CG-CZ 4.4Å
145K96.8Very high94.7Very high151 Ų15140.8 Ų40.866%0.65723%0.226SC*.THydrogen-bonded Turntrans-54124171.6-173.7174.6-179.2175.30110.9M142 K147 V168M142-K145 PolarHBondContact O-N 3.44Å; K145-K147 VanDerWaalsContact C-N 3.25Å; K145-K147 PolarHBondContact O-N 2.7Å; K145-V168 WeakPolarHBondContact CA-O 3.44Å; K145-V168 HydrophobicContact CB-CG1 4.06Å
146G96.3Very high94.7Very high51 Ų5140.3 Ų40.353%0.52623%0.227SC..THydrogen-bonded Turntrans72.79.2-178.900000115.7Y144 V168 K170Y144-G146 PolarHBondContact O-N 2.92Å; G146-V168 PolarHBondContact N-O 3.38Å; G146-K170 WeakPolarHBondContact O-CB 3.27Å
147K98.1Very high94.7Very high75 Ų7542.6 Ų42.633%0.32624%0.243SC..SBendtrans-104.4172.5-179-62.3-164.7-170.9167.80112.7F143 Y144 K145 A169 K170 K171 D233F143-K147 PolarHBondContact O-NZ 2.83Å; Y144-K147 HydrophobicContact CD1-CB 4.49Å; Y144-K147 HydrophobicContact CD1-CD 4.11Å; Y144-K147 WeakPolarHBondContact O-CB 3.49Å; Y144-K147 PolarHBondContact O-N 3.2Å; K145-K147 VanDerWaalsContact C-N 3.25Å; K145-K147 PolarHBondContact O-N 2.7Å; K147-A169 WeakPolarHBondContact O-CB 3.07Å; K147-K170 WeakPolarHBondContact O-CB 3.44Å; K147-K170 PolarHBondContact O-N 2.83Å; K147-K171 PolarHBondContact O-N 3.43Å; K147-D233 HydrophobicContact CB-CB 3.91Å; K147-D233 WeakPolarHBondContact CB-OD2 3.46Å; K147-D233 HydrophobicContact CD-CB 3.68Å; K147-D233 HydrophobicContact CG-CB 4.34Å
148T98.6Very high95Very high30 Ų3042.5 Ų42.518%0.18424%0.243CC..EExtended strand (participates in β ladder)trans-97.8129.2171.3-61.60000109.4K171 I173 C232 D233T148-K171 WeakPolarHBondContact CA-O 3.14Å; T148-K171 HydrophobicContact CG2-CB 4.25Å; T148-K171 HydrophobicContact CG2-CD 4.47Å; T148-K171 HydrophobicContact CG2-CG 4.5Å; T148-I173 HydrophobicContact CG2-CD1 4.01Å; T148-C232 HydrophobicContact CG2-CB 4.2Å; T148-D233 PolarHBondContact N-OD2 3.34Å; T148-D233 PolarHBondContact O-N 3.16Å
149V98.8Very high95.3Very high0 Ų040.3 Ų40.30%023%0.225CC..EExtended strand (participates in β ladder)trans-125.7149.1178.8-60.40000111.4Y144 L165 A169 K171 V172 I173 G234 F236Y144-V149 HydrophobicContact CD1-CG1 3.75Å; Y144-V149 HydrophobicContact CG-CG1 3.66Å; V149-L165 HydrophobicContact CG2-CB 4.17Å; V149-L165 HydrophobicContact CG2-CD1 4.14Å; V149-A169 HydrophobicContact CG1-CB 4.4Å; V149-A169 HydrophobicContact CG2-CB 3.81Å; V149-K171 PolarHBondContact N-O 2.87Å; V149-V172 HydrophobicContact CG2-CB 4.33Å; V149-V172 HydrophobicContact CG2-CG1 4.32Å; V149-V172 HydrophobicContact CG2-CG2 3.86Å; V149-V172 CarbonylContact O-C 3.58Å; V149-V172 WeakPolarHBondContact O-CA 3.32Å; V149-I173 PolarHBondContact O-N 3.44Å; V149-G234 CarbonylContact C-O 3.49Å; V149-G234 WeakPolarHBondContact CA-O 3.25Å; V149-F236 HydrophobicContact CB-CD2 4.18Å; V149-F236 HydrophobicContact CB-CE2 4.07Å; V149-F236 HydrophobicContact CG1-CE2 3.89Å
150V98.8Very high95.8Very high0 Ų039 Ų390%022%0.218CC..EExtended strand (participates in β ladder)trans-104.6133.8170.7167.20000108.6V152 I173 V175 V217 V230 C232 G234 V235 F236V150-V152 HydrophobicContact CG1-CG2 3.8Å; V150-I173 CarbonylContact C-O 3.05Å; V150-I173 VanDerWaalsContact CA-O 3.3Å; V150-I173 WeakPolarHBondContact CA-O 3.29Å; V150-I173 HydrophobicContact CG2-CB 4.1Å; V150-V175 HydrophobicContact CG1-CB 4.42Å; V150-V175 HydrophobicContact CG1-CG2 3.7Å; V150-V217 HydrophobicContact CG2-CG2 4.04Å; V150-V230 HydrophobicContact CG2-CG1 4.19Å; V150-C232 HydrophobicContact CG2-CB 3.84Å; V150-G234 PolarHBondContact N-O 2.67Å; V150-V235 HydrophobicContact CB-CG2 4.02Å; V150-V235 HydrophobicContact CG1-CG2 4.39Å; V150-V235 CarbonylContact O-C 3.55Å; V150-V235 WeakPolarHBondContact O-CA 3.22Å; V150-F236 PolarHBondContact O-N 2.78Å
151V98.7Very high96Very high0 Ų038.1 Ų38.10%021%0.213CC..EExtended strand (participates in β ladder)trans-109.5126166.5179.30000107.6A158 D161 A162 L165 V172 I173 L174 V175 F236V151-A158 HydrophobicContact CG1-CB 4.2Å; V151-D161 HydrophobicContact CG1-CB 4.23Å; V151-A162 HydrophobicContact CG2-CB 4.29Å; V151-L165 HydrophobicContact CG2-CD1 3.56Å; V151-V172 HydrophobicContact CG2-CG1 3.86Å; V151-I173 PolarHBondContact N-O 2.97Å; V151-L174 HydrophobicContact CB-CD1 3.98Å; V151-L174 HydrophobicContact CG1-CD1 3.85Å; V151-L174 WeakPolarHBondContact O-CA 3.13Å; V151-V175 PolarHBondContact O-N 3.3Å; V151-F236 CarbonylContact C-O 3.53Å; V151-F236 WeakPolarHBondContact CA-O 3.42Å; V151-F236 HydrophobicContact CG2-CB 4.22Å
152V98.7Very high96.3Very high10 Ų1037.9 Ų37.96%0.06121%0.212CC..EExtended strand (participates in β ladder)trans-105.4115.8-179.9-166.80000109.7L120 V150 V205 V235 F236 S238 V239L120-V152 HydrophobicContact CD1-CG2 4.44Å; L120-V152 HydrophobicContact CD2-CB 4.02Å; L120-V152 HydrophobicContact CD2-CG1 3.66Å; L120-V152 HydrophobicContact CD2-CG2 4.35Å; V150-V152 HydrophobicContact CG1-CG2 3.8Å; V152-V205 HydrophobicContact CG1-CG2 4.29Å; V152-V205 HydrophobicContact CG2-CG2 3.63Å; V152-V235 HydrophobicContact CG2-CG1 3.94Å; V152-F236 PolarHBondContact N-O 3.11Å; V152-S238 CarbonylContact O-C 3.37Å; V152-S238 VanDerWaalsContact O-CA 3.27Å; V152-S238 WeakPolarHBondContact O-CA 3.23Å; V152-S238 PolarHBondContact O-N 2.94Å; V152-V239 HydrophobicContact CB-CG1 4.22Å; V152-V239 HydrophobicContact CG1-CG1 3.75Å; V152-V239 WeakPolarHBondContact O-CG1 3.42Å; V152-V239 PolarHBondContact O-N 3.29Å
153G98.1Very high96.5Very high7 Ų733.3 Ų33.37%0.07219%0.189CC..EExtended strand (participates in β ladder)trans155.1-164179.300000112.6V175 H176G153-V175 PolarHBondContact N-O 3.42Å; G153-V175 VanDerWaalsContact O-O 3.08Å; G153-H176 WeakPolarHBondContact O-CB 3.25Å; G153-H176 PolarHBondContact O-ND1 2.95Å
154G97Very high96.6Very high1 Ų127.6 Ų27.61%0.0117%0.165CC..  trans178.820.6173.800000114.4A158 H176 R182 A183G154-A158 VanDerWaalsContact N-CB 3.29Å; G154-H176 WeakPolarHBondContact CA-ND1 3.14Å; G154-R182 WeakPolarHBondContact O-CA 3.19Å; G154-R182 PolarHBondContact O-N 3.08Å; G154-A183 PolarHBondContact O-N 3.47Å; G154-A183 VanDerWaalsContact O-N 3.17Å
155G95.5Very high96.6Very high18 Ų1827.1 Ų27.119%0.18616%0.164CC..SBendtrans-95.4-167.316400000110.4S157 A158 A159G155-S157 VanDerWaalsContact C-N 3.33Å; G155-S157 PolarHBondContact O-N 2.72Å; G155-A158 PolarHBondContact O-N 3.08Å; G155-A159 PolarHBondContact O-N 3.46Å; G155-A159 VanDerWaalsContact O-N 3.12Å
156N92.7Very high96.7Very high49 Ų4921 Ų2126%0.26214%0.139SC..Hα-helixtrans-56.4-43.2-178.9-66.8-1.8000112.9A158 A159 A160 A183 T184 Y187N156-A158 PolarHBondContact O-N 3.14Å; N156-A159 PolarHBondContact O-N 3.39Å; N156-A160 WeakPolarHBondContact O-CB 3.38Å; N156-A160 PolarHBondContact O-N 3.4Å; N156-A183 WeakPolarHBondContact OD1-CA 3.46Å; N156-T184 PolarHBondContact ND2-OG1 2.93Å; N156-T184 VanDerWaalsContact ND2-OG1 3.09Å; N156-T184 PolarHBondContact OD1-N 3.36Å; N156-T184 PolarHBondContact OD1-OG1 2.85Å; N156-Y187 HydrophobicContact CB-CE2 3.94Å
157S91.8Very high96.7Very high63 Ų6327.1 Ų27.144%0.44115%0.147SC..Hα-helixtrans-60-48.7179.4-52.40000112.3G155 A159 A160 D161 S238G155-S157 VanDerWaalsContact C-N 3.33Å; G155-S157 PolarHBondContact O-N 2.72Å; S157-A159 VanDerWaalsContact C-N 3.28Å; S157-A159 PolarHBondContact O-N 2.96Å; S157-A160 PolarHBondContact O-N 3.13Å; S157-D161 WeakPolarHBondContact O-CB 3.29Å; S157-D161 PolarHBondContact O-N 3.4Å; S157-S238 VanDerWaalsContact CB-OG 3.31Å; S157-S238 WeakPolarHBondContact CB-OG 2.89Å
158A96.5Very high96.5Very high0 Ų024.9 Ų24.90%014%0.139CC..Hα-helixtrans-62.2-37.2178.300000112.6V151 G154 G155 N156 A162 L174 S238V151-A158 HydrophobicContact CG1-CB 4.2Å; G154-A158 VanDerWaalsContact N-CB 3.29Å; G155-A158 PolarHBondContact O-N 3.08Å; N156-A158 PolarHBondContact O-N 3.14Å; A158-A162 VanDerWaalsContact O-CB 3.23Å; A158-A162 WeakPolarHBondContact O-CB 3.41Å; A158-A162 PolarHBondContact O-N 3.33Å; A158-L174 HydrophobicContact CB-CD1 4.17Å; A158-S238 PolarHBondContact N-OG 3.42Å
159A96.6Very high96.5Very high0 Ų023.9 Ų23.90%013%0.134CC..Hα-helixtrans-68.6-45.6177.500000112.1G155 N156 S157 A162 L163 A183 Y187 L191G155-A159 PolarHBondContact O-N 3.46Å; G155-A159 VanDerWaalsContact O-N 3.12Å; N156-A159 PolarHBondContact O-N 3.39Å; S157-A159 VanDerWaalsContact C-N 3.28Å; S157-A159 PolarHBondContact O-N 2.96Å; A159-A162 PolarHBondContact O-N 3.49Å; A159-L163 WeakPolarHBondContact O-CG 3.45Å; A159-L163 PolarHBondContact O-N 2.96Å; A159-L163 VanDerWaalsContact O-N 3.07Å; A159-A183 HydrophobicContact CB-CB 3.75Å; A159-Y187 HydrophobicContact CB-CD1 3.83Å; A159-Y187 HydrophobicContact CB-CD2 4.27Å; A159-Y187 HydrophobicContact CB-CG 3.68Å; A159-L191 HydrophobicContact CB-CD1 3.79Å
160A94Very high96.5Very high35 Ų3531.2 Ų31.229%0.28917%0.166SC..Hα-helixtrans-62.7-46.4175.600000111.4N156 S157 A162 L163 L164 Y187N156-A160 WeakPolarHBondContact O-CB 3.38Å; N156-A160 PolarHBondContact O-N 3.4Å; S157-A160 PolarHBondContact O-N 3.13Å; A160-A162 VanDerWaalsContact C-N 3.33Å; A160-A162 PolarHBondContact O-N 2.9Å; A160-L163 PolarHBondContact O-N 3.13Å; A160-L164 WeakPolarHBondContact O-CB 3.38Å; A160-L164 PolarHBondContact O-N 3.29Å; A160-Y187 HydrophobicContact CB-CE1 3.88Å
161D95.3Very high96.5Very high28 Ų2834.7 Ų34.715%0.1518%0.181CC..Hα-helixtrans-59.8-43.5177.3-70.5-20.4000111.4A137 V151 S157 L164 L165 S238A137-D161 HydrophobicContact CB-CB 3.76Å; A137-D161 WeakPolarHBondContact CB-OD1 3.41Å; V151-D161 HydrophobicContact CG1-CB 4.23Å; S157-D161 WeakPolarHBondContact O-CB 3.29Å; S157-D161 PolarHBondContact O-N 3.4Å; D161-L164 PolarHBondContact O-N 3.31Å; D161-L165 WeakPolarHBondContact O-CB 3.5Å; D161-L165 WeakPolarHBondContact O-CD1 3.44Å; D161-L165 VanDerWaalsContact O-CG 3.23Å; D161-L165 WeakPolarHBondContact O-CG 3.04Å; D161-L165 PolarHBondContact O-N 3.44Å; D161-S238 WeakPolarHBondContact OD2-CB 3.15Å; D161-S238 PolarHBondContact OD2-OG 3Å
162A97.8Very high96.5Very high0 Ų034.7 Ų34.70%018%0.181CC..Hα-helixtrans-64.4-40.4178.300000112.6V151 A158 A159 A160 S166 V172 L174 L191V151-A162 HydrophobicContact CG2-CB 4.29Å; A158-A162 VanDerWaalsContact O-CB 3.23Å; A158-A162 WeakPolarHBondContact O-CB 3.41Å; A158-A162 PolarHBondContact O-N 3.33Å; A159-A162 PolarHBondContact O-N 3.49Å; A160-A162 VanDerWaalsContact C-N 3.33Å; A160-A162 PolarHBondContact O-N 2.9Å; A162-S166 WeakPolarHBondContact O-CB 3.36Å; A162-S166 PolarHBondContact O-N 3.41Å; A162-V172 HydrophobicContact CB-CG1 4.09Å; A162-L174 HydrophobicContact CB-CD2 4.24Å; A162-L191 HydrophobicContact CB-CD2 3.96Å
163L97.1Very high96.5Very high25 Ų2534.4 Ų34.413%0.13118%0.179CC..Hα-helixtrans-70.3-35.3176.2-71.8172.1000113.2A159 A160 S166 Y187 P190 L191A159-L163 WeakPolarHBondContact O-CG 3.45Å; A159-L163 PolarHBondContact O-N 2.96Å; A159-L163 VanDerWaalsContact O-N 3.07Å; A160-L163 PolarHBondContact O-N 3.13Å; L163-S166 PolarHBondContact O-OG 2.68Å; L163-Y187 HydrophobicContact CD1-CD1 3.83Å; L163-P190 HydrophobicContact CD1-CB 3.85Å; L163-P190 HydrophobicContact CD2-CB 3.79Å; L163-L191 HydrophobicContact CD1-CG 4.37Å; L163-L191 HydrophobicContact CD2-CD2 3.81Å; L163-L191 HydrophobicContact CD2-CG 4.03Å; L163-L191 HydrophobicContact CG-CD2 3.78Å; L163-L191 HydrophobicContact CG-CG 4.05Å
164L95.1Very high96.5Very high26 Ų2634.1 Ų34.114%0.13618%0.176CC..Hα-helixtrans-65-50.5173.2170.853.8000110.1E48 A137 A138 A160 D161 S166 R167E48-L164 HydrophobicContact CB-CD2 4.44Å; E48-L164 WeakPolarHBondContact OE2-CD1 3.49Å; A137-L164 HydrophobicContact CB-CD2 4.01Å; A138-L164 HydrophobicContact CB-CD2 3.93Å; A160-L164 WeakPolarHBondContact O-CB 3.38Å; A160-L164 PolarHBondContact O-N 3.29Å; D161-L164 PolarHBondContact O-N 3.31Å; L164-S166 VanDerWaalsContact C-N 3.25Å; L164-S166 PolarHBondContact O-N 3.02Å; L164-R167 PolarHBondContact O-N 3.09Å
165L97.3Very high96.6Very high1 Ų134.1 Ų34.11%0.00518%0.176CC..Hα-helixtrans-66.1-27.8-179.7-69.5165.9000112.3A137 V149 V151 D161 R167 V168 A169 V172 F236A137-L165 HydrophobicContact CB-CD1 4.02Å; A137-L165 HydrophobicContact CB-CD2 4.38Å; A137-L165 HydrophobicContact CB-CG 4.01Å; V149-L165 HydrophobicContact CG2-CB 4.17Å; V149-L165 HydrophobicContact CG2-CD1 4.14Å; V151-L165 HydrophobicContact CG2-CD1 3.56Å; D161-L165 WeakPolarHBondContact O-CB 3.5Å; D161-L165 WeakPolarHBondContact O-CD1 3.44Å; D161-L165 VanDerWaalsContact O-CG 3.23Å; D161-L165 WeakPolarHBondContact O-CG 3.04Å; D161-L165 PolarHBondContact O-N 3.44Å; L165-R167 PolarHBondContact O-N 3.49Å; L165-V168 PolarHBondContact O-N 2.74Å; L165-A169 WeakPolarHBondContact O-CB 3.22Å; L165-A169 PolarHBondContact O-N 2.63Å; L165-V172 HydrophobicContact CB-CG2 3.81Å; L165-F236 HydrophobicContact CD1-CB 4.16Å; L165-F236 HydrophobicContact CD1-CD1 4.09Å; L165-F236 HydrophobicContact CD1-CD2 3.52Å; L165-F236 HydrophobicContact CD1-CE1 4.4Å; L165-F236 HydrophobicContact CD1-CE2 3.87Å; L165-F236 HydrophobicContact CD1-CG 3.64Å; L165-F236 HydrophobicContact CD1-CZ 4.29Å; L165-F236 HydrophobicContact CD2-CD2 4.4Å; L165-F236 HydrophobicContact CD2-CE1 4.23Å; L165-F236 HydrophobicContact CD2-CE2 3.89Å; L165-F236 HydrophobicContact CD2-CZ 3.79Å
166S97.6Very high96.7Very high21 Ų2133.5 Ų33.515%0.14717%0.168CC..Hα-helixtrans-64.4-24.8177.874.70000112.7A162 L163 L164 V168 N196A162-S166 WeakPolarHBondContact O-CB 3.36Å; A162-S166 PolarHBondContact O-N 3.41Å; L163-S166 PolarHBondContact O-OG 2.68Å; L164-S166 VanDerWaalsContact C-N 3.25Å; L164-S166 PolarHBondContact O-N 3.02Å; S166-V168 VanDerWaalsContact C-N 3.32Å; S166-N196 WeakPolarHBondContact CB-OD1 3.31Å; S166-N196 PolarHBondContact O-ND2 2.98Å
167R95.6Very high96.9Very high180 Ų18037.3 Ų37.368%0.67918%0.179SC*.THydrogen-bonded Turntrans-78.5-15.5174.7-58.5174-169.9173.40.9113.4E48 L164 L165E48-R167 IonicContact OE1-NH1 3.07Å; E48-R167 IonicContact OE2-NH1 3.82Å; L164-R167 PolarHBondContact O-N 3.09Å; L165-R167 PolarHBondContact O-N 3.49Å
168V95.6Very high97.2Very high29 Ų2938.8 Ų38.818%0.17618%0.175CC..THydrogen-bonded Turntrans-117.3-49.9-169.5-178.40000111.8G141 M142 K145 G146 L165 S166G141-V168 WeakPolarHBondContact O-CG1 3.45Å; M142-V168 HydrophobicContact SD-CG1 3.8Å; M142-V168 HydrophobicContact SD-CG2 3.91Å; K145-V168 WeakPolarHBondContact CA-O 3.44Å; K145-V168 HydrophobicContact CB-CG1 4.06Å; G146-V168 PolarHBondContact N-O 3.38Å; L165-V168 PolarHBondContact O-N 2.74Å; S166-V168 VanDerWaalsContact C-N 3.32Å
169A98.1Very high97.2Very high8 Ų843.7 Ų43.77%0.06620%0.201CC..SBendtrans-77.1156.4-177.400000111.7K147 V149 L165 V172 N196K147-A169 WeakPolarHBondContact O-CB 3.07Å; V149-A169 HydrophobicContact CG1-CB 4.4Å; V149-A169 HydrophobicContact CG2-CB 3.81Å; L165-A169 WeakPolarHBondContact O-CB 3.22Å; L165-A169 PolarHBondContact O-N 2.63Å; A169-V172 HydrophobicContact CB-CG2 4.1Å; A169-N196 PolarHBondContact O-ND2 2.89Å
170K98.2Very high97.1Very high154 Ų15447.8 Ų47.867%0.6723%0.226SC*.SBendtrans-68.6-38.8171.6175.2-177.2175.4-1750111G146 K147 N196G146-K170 WeakPolarHBondContact O-CB 3.27Å; K147-K170 WeakPolarHBondContact O-CB 3.44Å; K147-K170 PolarHBondContact O-N 2.83Å; K170-N196 WeakPolarHBondContact O-CB 3.26Å
171K98.7Very high97.3Very high73 Ų7347.5 Ų47.532%0.31722%0.219SC..EExtended strand (participates in β ladder)trans-148.8137.1-179-175.4176.9-177.3178.40110K147 T148 V149 I173 E198K147-K171 PolarHBondContact O-N 3.43Å; T148-K171 WeakPolarHBondContact CA-O 3.14Å; T148-K171 HydrophobicContact CG2-CB 4.25Å; T148-K171 HydrophobicContact CG2-CD 4.47Å; T148-K171 HydrophobicContact CG2-CG 4.5Å; V149-K171 PolarHBondContact N-O 2.87Å; K171-I173 HydrophobicContact CD-CD1 4.47Å; K171-I173 HydrophobicContact CD-CG1 4.37Å; K171-I173 HydrophobicContact CG-CG1 4.29Å; K171-E198 WeakPolarHBondContact CE-OE2 3.39Å; K171-E198 IonicContact NZ-OE2 3.77Å; K171-E198 PolarHBondContact NZ-OE2 2.99Å
172V98.8Very high97.3Very high0 Ų053.1 Ų53.10%024%0.238CC..EExtended strand (participates in β ladder)trans-117.3127.1174.5-1780000108.6V149 V151 A162 L165 A169 N196 V197 E198V149-V172 HydrophobicContact CG2-CB 4.33Å; V149-V172 HydrophobicContact CG2-CG1 4.32Å; V149-V172 HydrophobicContact CG2-CG2 3.86Å; V149-V172 CarbonylContact O-C 3.58Å; V149-V172 WeakPolarHBondContact O-CA 3.32Å; V151-V172 HydrophobicContact CG2-CG1 3.86Å; A162-V172 HydrophobicContact CB-CG1 4.09Å; L165-V172 HydrophobicContact CB-CG2 3.81Å; A169-V172 HydrophobicContact CB-CG2 4.1Å; V172-N196 PolarHBondContact N-O 2.95Å; V172-V197 HydrophobicContact CB-CG2 4.19Å; V172-V197 CarbonylContact O-C 3.57Å; V172-V197 WeakPolarHBondContact O-CA 3.35Å; V172-E198 PolarHBondContact O-N 2.78Å
173I98.7Very high97.2Very high5 Ų553.5 Ų53.53%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-111.2106.7177.8-57.7172.5000108T148 V149 V150 V151 K171 V175 E198 R200 V230T148-I173 HydrophobicContact CG2-CD1 4.01Å; V149-I173 PolarHBondContact O-N 3.44Å; V150-I173 CarbonylContact C-O 3.05Å; V150-I173 VanDerWaalsContact CA-O 3.3Å; V150-I173 WeakPolarHBondContact CA-O 3.29Å; V150-I173 HydrophobicContact CG2-CB 4.1Å; V151-I173 PolarHBondContact N-O 2.97Å; K171-I173 HydrophobicContact CD-CD1 4.47Å; K171-I173 HydrophobicContact CD-CG1 4.37Å; K171-I173 HydrophobicContact CG-CG1 4.29Å; I173-V175 HydrophobicContact CG2-CG2 4.21Å; I173-V175 PolarHBondContact O-N 3.4Å; I173-E198 CarbonylContact C-O 3.55Å; I173-E198 WeakPolarHBondContact CA-O 3.25Å; I173-R200 HydrophobicContact CG2-CB 4.42Å; I173-R200 HydrophobicContact CG2-CG 3.56Å; I173-V230 HydrophobicContact CD1-CG1 3.35Å
174L98.6Very high97Very high0 Ų056 Ų560%026%0.257CS..EExtended strand (participates in β ladder)trans-87.4104.2178.5-179.151.8000109.9V151 A158 A162 L181 L191 E198 F199 R200V151-L174 HydrophobicContact CB-CD1 3.98Å; V151-L174 HydrophobicContact CG1-CD1 3.85Å; V151-L174 WeakPolarHBondContact O-CA 3.13Å; A158-L174 HydrophobicContact CB-CD1 4.17Å; A162-L174 HydrophobicContact CB-CD2 4.24Å; L174-L181 HydrophobicContact CD2-CD2 4.31Å; L174-L191 HydrophobicContact CD2-CD1 4.44Å; L174-E198 PolarHBondContact N-O 3.27Å; L174-F199 HydrophobicContact CB-CD1 4.25Å; L174-F199 HydrophobicContact CB-CE1 4.38Å; L174-F199 HydrophobicContact CD2-CD1 4.11Å; L174-F199 HydrophobicContact CD2-CE1 3.51Å; L174-F199 HydrophobicContact CD2-CZ 4.15Å; L174-F199 HydrophobicContact CG-CD1 4.23Å; L174-F199 HydrophobicContact CG-CE1 4.13Å; L174-R200 PolarHBondContact O-N 2.98Å
175V98.7Very high96.9Very high1 Ų163.3 Ų63.31%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-89.5117.8179.3178.10000109.4V150 V151 G153 I173 R200 S203 L219V150-V175 HydrophobicContact CG1-CB 4.42Å; V150-V175 HydrophobicContact CG1-CG2 3.7Å; V151-V175 PolarHBondContact O-N 3.3Å; G153-V175 PolarHBondContact N-O 3.42Å; G153-V175 VanDerWaalsContact O-O 3.08Å; I173-V175 HydrophobicContact CG2-CG2 4.21Å; I173-V175 PolarHBondContact O-N 3.4Å; V175-R200 HydrophobicContact CG2-CB 4.06Å; V175-S203 WeakPolarHBondContact CG1-O 3.28Å; V175-L219 HydrophobicContact CG1-CD2 4.01Å; V175-L219 HydrophobicContact CG2-CD1 4.08Å; V175-L219 HydrophobicContact CG2-CD2 3.98Å
176H98.4Very high96.7Very high5 Ų569.6 Ų69.62%0.02332%0.32CS..  trans-126.5135.1177.7-167.251.7000112.4G153 G154 R178 T180 R200 W201 N202 S203G153-H176 WeakPolarHBondContact O-CB 3.25Å; G153-H176 PolarHBondContact O-ND1 2.95Å; G154-H176 WeakPolarHBondContact CA-ND1 3.14Å; H176-R178 PolarHBondContact CD2-N 3.18Å; H176-R178 PolarHBondContact O-N 3.1Å; H176-T180 PolarHBondContact CD2-O 3.26Å; H176-T180 PolarHBondContact NE2-O 3.11Å; H176-T180 VanDerWaalsContact NE2-O 3.14Å; H176-R200 PolarHBondContact N-O 3.09Å; H176-W201 HydrophobicContact CB-CE3 3.95Å; H176-W201 HydrophobicContact CB-CZ3 4.08Å; H176-W201 CarbonylContact O-C 3.57Å; H176-N202 PolarHBondContact O-N 3.22Å; H176-S203 CarbonylContact C-O 3.47Å; H176-S203 PolarHBondContact O-N 3.39Å
177R97.3Very high96.6Very high130 Ų13071.6 Ų71.649%0.49133%0.325SS..SBendtrans-726-178.873.2178.3-176.1174.21.2115.7S203 V204 T222R177-S203 WeakPolarHBondContact CA-O 3.21Å; R177-S203 PolarHBondContact N-O 2.96Å; R177-V204 HydrophobicContact CB-CG1 3.63Å; R177-T222 HydrophobicContact CB-CG2 4.47Å; R177-T222 PolarHBondContact O-OG1 3.44Å
178R97.1Very high96.6Very high94 Ų9466.8 Ų66.836%0.35531%0.31SS..SBendtrans-140.3-179.3-179.5-53.8-171.8178.2125-9.4109.3H176 W201 N202H176-R178 PolarHBondContact CD2-N 3.18Å; H176-R178 PolarHBondContact O-N 3.1Å; R178-W201 VanDerWaalsContact O-CE3 3.25Å; R178-N202 WeakPolarHBondContact CA-OD1 3.46Å; R178-N202 PolarHBondContact O-N 3.37Å
179D96.4Very high96.6Very high103 Ų10371.1 Ų71.155%0.55133%0.329SS*.SBendtrans-91.3-4.1177.261.1-4000114.1N202D179-N202 PolarHBondContact N-OD1 3.34Å
180T95.5Very high96.5Very high86 Ų8673.2 Ų73.253%0.52834%0.342SS..SBendtrans-143.1141.8-175.548.80000111.7H176H176-T180 PolarHBondContact CD2-O 3.26Å; H176-T180 PolarHBondContact NE2-O 3.11Å; H176-T180 VanDerWaalsContact NE2-O 3.14Å
181L96.9Very high96.4Very high28 Ų2866 Ų6615%0.14731%0.311CS..  trans-73.9145174.8-68.8172.9000111.6L174 A183 L191 F199 W201L174-L181 HydrophobicContact CD2-CD2 4.31Å; L181-A183 VanDerWaalsContact C-N 3.33Å; L181-A183 HydrophobicContact CB-CB 4.2Å; L181-A183 HydrophobicContact CD1-CB 4.47Å; L181-L191 HydrophobicContact CD1-CD1 3.76Å; L181-F199 HydrophobicContact CD1-CE1 4.05Å; L181-F199 HydrophobicContact CD1-CZ 4.46Å; L181-F199 HydrophobicContact CD2-CE1 4.44Å; L181-F199 HydrophobicContact CG-CE1 4.44Å; L181-W201 HydrophobicContact CD1-CH2 4.47Å; L181-W201 HydrophobicContact CD2-CH2 4.23Å; L181-W201 HydrophobicContact CD2-CZ3 4.08Å; L181-W201 HydrophobicContact CG-CH2 3.82Å; L181-W201 HydrophobicContact CG-CZ3 4.04Å
182R95.5Very high96.2Very high147 Ų14766.3 Ų66.356%0.55533%0.327SS*.  trans-85.4-8.3162.9-66.8-169.4-68.7174.43112.9G154G154-R182 WeakPolarHBondContact O-CA 3.19Å; G154-R182 PolarHBondContact O-N 3.08Å
183A94.9Very high96.1Very high7 Ų772.4 Ų72.46%0.05836%0.355CS..SBendtrans-58.7144.1179.500000111G154 N156 A159 L181 Y187 H188G154-A183 PolarHBondContact O-N 3.47Å; G154-A183 VanDerWaalsContact O-N 3.17Å; N156-A183 WeakPolarHBondContact OD1-CA 3.46Å; A159-A183 HydrophobicContact CB-CB 3.75Å; L181-A183 VanDerWaalsContact C-N 3.33Å; L181-A183 HydrophobicContact CB-CB 4.2Å; L181-A183 HydrophobicContact CD1-CB 4.47Å; A183-Y187 HydrophobicContact CB-CD2 4.3Å; A183-H188 PolarHBondContact O-NE2 3.03Å
184T93Very high96.1Very high77 Ų7773 Ų7347%0.47236%0.36SS..  trans-56.3145.2174.2-53.30000109.9N156 I186 Y187 H188N156-T184 PolarHBondContact ND2-OG1 2.93Å; N156-T184 VanDerWaalsContact ND2-OG1 3.09Å; N156-T184 PolarHBondContact OD1-N 3.36Å; N156-T184 PolarHBondContact OD1-OG1 2.85Å; T184-I186 HydrophobicContact CG2-CG2 4.26Å; T184-I186 PolarHBondContact O-N 2.79Å; T184-Y187 PolarHBondContact O-N 3.02Å; T184-H188 PolarHBondContact O-CD2 2.88Å
185K93.6Very high96Very high181 Ų18182.5 Ų82.579%0.78741%0.405SS*.G310 helixtrans-52.2-29-173.9-67.1-171.7176.6-176.20114.7Y187 H188K185-Y187 PolarHBondContact O-N 2.92Å; K185-Y187 VanDerWaalsContact O-N 3.12Å; K185-H188 WeakPolarHBondContact O-CB 3.28Å; K185-H188 PolarHBondContact O-N 2.93Å
186I93.2Very high96Very high132 Ų13284.6 Ų84.668%0.67742%0.416SS*.G310 helixtrans-58.1-25.7178.7-162.8128.2000113.5T184 P190T184-I186 HydrophobicContact CG2-CG2 4.26Å; T184-I186 PolarHBondContact O-N 2.79Å; I186-P190 WeakPolarHBondContact O-CD 3.45Å; I186-P190 WeakPolarHBondContact O-CG 3.38Å
187Y95.5Very high96Very high63 Ų6385.2 Ų85.225%0.24742%0.42CS..G310 helixtrans-83.9-17.4177.9-68.5-75000114N156 A159 A160 L163 A183 T184 K185 L191N156-Y187 HydrophobicContact CB-CE2 3.94Å; A159-Y187 HydrophobicContact CB-CD1 3.83Å; A159-Y187 HydrophobicContact CB-CD2 4.27Å; A159-Y187 HydrophobicContact CB-CG 3.68Å; A160-Y187 HydrophobicContact CB-CE1 3.88Å; L163-Y187 HydrophobicContact CD1-CD1 3.83Å; A183-Y187 HydrophobicContact CB-CD2 4.3Å; T184-Y187 PolarHBondContact O-N 3.02Å; K185-Y187 PolarHBondContact O-N 2.92Å; K185-Y187 VanDerWaalsContact O-N 3.12Å; Y187-L191 VanDerWaalsContact O-CB 3.29Å; Y187-L191 WeakPolarHBondContact O-CB 3.42Å; Y187-L191 WeakPolarHBondContact O-CD1 3.49Å; Y187-L191 VanDerWaalsContact O-CG 3.23Å; Y187-L191 WeakPolarHBondContact O-CG 3.45Å; Y187-L191 PolarHBondContact O-N 3.45Å; Y187-L191 VanDerWaalsContact O-N 3.12Å
188H95.1Very high96Very high79 Ų7981.6 Ų81.637%0.36641%0.409SS..Hα-helixtrans-71-48.1-168.5-71.2-136.2000111.3A183 T184 K185 L191 A192A183-H188 PolarHBondContact O-NE2 3.03Å; T184-H188 PolarHBondContact O-CD2 2.88Å; K185-H188 WeakPolarHBondContact O-CB 3.28Å; K185-H188 PolarHBondContact O-N 2.93Å; H188-L191 PolarHBondContact O-N 2.84Å; H188-A192 WeakPolarHBondContact O-CB 3.13Å; H188-A192 PolarHBondContact O-N 3.36Å
189E95.6Very high96.1Very high120 Ų12079.7 Ų79.756%0.56140%0.403SS*.Hα-helixtrans-64.1-49.5179.9-17566.5-158.900111.9L191 A192 Q193E189-L191 VanDerWaalsContact C-N 3.28Å; E189-L191 PolarHBondContact O-N 3.49Å; E189-A192 PolarHBondContact O-N 2.78Å; E189-A192 VanDerWaalsContact O-N 3.13Å; E189-Q193 HydrophobicContact CG-CG 4.48Å; E189-Q193 WeakPolarHBondContact O-CG 3.1Å; E189-Q193 PolarHBondContact O-N 2.86Å; E189-Q193 PolarHBondContact OE1-NE2 3Å
190P96.5Very high96.2Very high53 Ų5379.6 Ų79.634%0.34440%0.395SS..Hα-helixtrans-58.7-37.2175.2-25.935.7000113.7L163 I186 Q193 A194L163-P190 HydrophobicContact CD1-CB 3.85Å; L163-P190 HydrophobicContact CD2-CB 3.79Å; I186-P190 WeakPolarHBondContact O-CD 3.45Å; I186-P190 WeakPolarHBondContact O-CG 3.38Å; P190-Q193 PolarHBondContact O-N 2.84Å; P190-A194 WeakPolarHBondContact O-CB 3.22Å; P190-A194 PolarHBondContact O-N 3.41Å; P190-A194 VanDerWaalsContact O-N 3.15Å
191L97.4Very high96.3Very high3 Ų379.9 Ų79.92%0.01639%0.387CS..Hα-helixtrans-69-37177.2-79.3171.4000112.1A159 A162 L163 L174 L181 Y187 H188 E189 Q193 A194 V197 F199A159-L191 HydrophobicContact CB-CD1 3.79Å; A162-L191 HydrophobicContact CB-CD2 3.96Å; L163-L191 HydrophobicContact CD1-CG 4.37Å; L163-L191 HydrophobicContact CD2-CD2 3.81Å; L163-L191 HydrophobicContact CD2-CG 4.03Å; L163-L191 HydrophobicContact CG-CD2 3.78Å; L163-L191 HydrophobicContact CG-CG 4.05Å; L174-L191 HydrophobicContact CD2-CD1 4.44Å; L181-L191 HydrophobicContact CD1-CD1 3.76Å; Y187-L191 VanDerWaalsContact O-CB 3.29Å; Y187-L191 WeakPolarHBondContact O-CB 3.42Å; Y187-L191 WeakPolarHBondContact O-CD1 3.49Å; Y187-L191 VanDerWaalsContact O-CG 3.23Å; Y187-L191 WeakPolarHBondContact O-CG 3.45Å; Y187-L191 PolarHBondContact O-N 3.45Å; Y187-L191 VanDerWaalsContact O-N 3.12Å; H188-L191 PolarHBondContact O-N 2.84Å; E189-L191 VanDerWaalsContact C-N 3.28Å; E189-L191 PolarHBondContact O-N 3.49Å; L191-Q193 VanDerWaalsContact C-N 3.33Å; L191-A194 PolarHBondContact O-N 3.38Å; L191-V197 HydrophobicContact CD2-CG1 4.31Å; L191-F199 HydrophobicContact CB-CZ 4.14Å; L191-F199 HydrophobicContact CD1-CZ 4.36Å
192A94.4Very high96.3Very high79 Ų7980.6 Ų80.665%0.65339%0.391SS*.Hα-helixtrans-69.6-32.5176.900000112.3H188 E189H188-A192 WeakPolarHBondContact O-CB 3.13Å; H188-A192 PolarHBondContact O-N 3.36Å; E189-A192 PolarHBondContact O-N 2.78Å; E189-A192 VanDerWaalsContact O-N 3.13Å
193Q96.8Very high96.5Very high128 Ų12874.1 Ų74.160%0.59837%0.368SS*.Hα-helixtrans-80.2-15.6177.4-68.4179.7-3.300113.5E189 P190 L191 E195E189-Q193 HydrophobicContact CG-CG 4.48Å; E189-Q193 WeakPolarHBondContact O-CG 3.1Å; E189-Q193 PolarHBondContact O-N 2.86Å; E189-Q193 PolarHBondContact OE1-NE2 3Å; P190-Q193 PolarHBondContact O-N 2.84Å; L191-Q193 VanDerWaalsContact C-N 3.33Å; Q193-E195 PolarHBondContact O-N 3.5Å; Q193-E195 VanDerWaalsContact O-N 3.09Å
194A97.5Very high96.7Very high16 Ų1675.8 Ų75.813%0.13238%0.377CS..  trans-77.296.4-179.900000111.1P190 L191 N196 V197P190-A194 WeakPolarHBondContact O-CB 3.22Å; P190-A194 PolarHBondContact O-N 3.41Å; P190-A194 VanDerWaalsContact O-N 3.15Å; L191-A194 PolarHBondContact O-N 3.38Å; A194-N196 PolarHBondContact O-N 3.23Å; A194-N196 VanDerWaalsContact O-N 3.08Å; A194-V197 HydrophobicContact CB-CB 4.02Å; A194-V197 HydrophobicContact CB-CG2 3.47Å; A194-V197 VanDerWaalsContact CB-CG2 3.47Å; A194-V197 WeakPolarHBondContact O-CB 3.49Å; A194-V197 PolarHBondContact O-N 2.97Å
195E97.2Very high96.9Very high200 Ų20072.7 Ų72.794%0.93536%0.358SS*.THydrogen-bonded Turntrans-58.6-25-173.5-61.6-174.9167.500114.8Q193Q193-E195 PolarHBondContact O-N 3.5Å; Q193-E195 VanDerWaalsContact O-N 3.09Å
196N98.4Very high97.1Very high45 Ų4565.3 Ų65.324%0.24133%0.329CS..THydrogen-bonded Turntrans-97.68.8179.469.6-25000113.8S166 A169 K170 V172 A194S166-N196 WeakPolarHBondContact CB-OD1 3.31Å; S166-N196 PolarHBondContact O-ND2 2.98Å; A169-N196 PolarHBondContact O-ND2 2.89Å; K170-N196 WeakPolarHBondContact O-CB 3.26Å; V172-N196 PolarHBondContact N-O 2.95Å; A194-N196 PolarHBondContact O-N 3.23Å; A194-N196 VanDerWaalsContact O-N 3.08Å
197V98.6Very high97.4Very high19 Ų1960.1 Ų60.112%0.11531%0.307CS..EExtended strand (participates in β ladder)trans-98.2120.3173.9179.30000109.6V172 L191 A194 F199V172-V197 HydrophobicContact CB-CG2 4.19Å; V172-V197 CarbonylContact O-C 3.57Å; V172-V197 WeakPolarHBondContact O-CA 3.35Å; L191-V197 HydrophobicContact CD2-CG1 4.31Å; A194-V197 HydrophobicContact CB-CB 4.02Å; A194-V197 HydrophobicContact CB-CG2 3.47Å; A194-V197 VanDerWaalsContact CB-CG2 3.47Å; A194-V197 WeakPolarHBondContact O-CB 3.49Å; A194-V197 PolarHBondContact O-N 2.97Å; V197-F199 HydrophobicContact CG1-CE2 4.18Å
198E98Very high97.5Very high53 Ų5358 Ų5825%0.24830%0.299CS..EExtended strand (participates in β ladder)trans-111.1137174.6-176.2-173.9124.200110.1K171 V172 I173 L174 R200K171-E198 WeakPolarHBondContact CE-OE2 3.39Å; K171-E198 IonicContact NZ-OE2 3.77Å; K171-E198 PolarHBondContact NZ-OE2 2.99Å; V172-E198 PolarHBondContact O-N 2.78Å; I173-E198 CarbonylContact C-O 3.55Å; I173-E198 WeakPolarHBondContact CA-O 3.25Å; L174-E198 PolarHBondContact N-O 3.27Å; E198-R200 IonicContact OE1-CZ 3.7Å; E198-R200 IonicContact OE1-NE 3.05Å; E198-R200 PolarHBondContact OE1-NE 3.36Å; E198-R200 IonicContact OE1-NH2 2.63Å; E198-R200 PolarHBondContact OE1-NH2 3.48Å
199F98Very high97.7Very high55 Ų5556.3 Ų56.324%0.24129%0.293CS..EExtended strand (participates in β ladder)trans-94.7136.1175.6-71.6-94.5000112L174 L181 L191 V197 W201L174-F199 HydrophobicContact CB-CD1 4.25Å; L174-F199 HydrophobicContact CB-CE1 4.38Å; L174-F199 HydrophobicContact CD2-CD1 4.11Å; L174-F199 HydrophobicContact CD2-CE1 3.51Å; L174-F199 HydrophobicContact CD2-CZ 4.15Å; L174-F199 HydrophobicContact CG-CD1 4.23Å; L174-F199 HydrophobicContact CG-CE1 4.13Å; L181-F199 HydrophobicContact CD1-CE1 4.05Å; L181-F199 HydrophobicContact CD1-CZ 4.46Å; L181-F199 HydrophobicContact CD2-CE1 4.44Å; L181-F199 HydrophobicContact CG-CE1 4.44Å; L191-F199 HydrophobicContact CB-CZ 4.14Å; L191-F199 HydrophobicContact CD1-CZ 4.36Å; V197-F199 HydrophobicContact CG1-CE2 4.18Å; F199-W201 HydrophobicContact CB-CD2 4.21Å; F199-W201 HydrophobicContact CB-CG 4.49Å; F199-W201 HydrophobicContact CB-CZ2 3.9Å; F199-W201 HydrophobicContact CD1-CD2 4.39Å; F199-W201 AromaticContact CD1-CE2 3.78Å; F199-W201 HydrophobicContact CD1-CE3 4.43Å; F199-W201 AromaticContact CD1-CH2 3.34Å; F199-W201 HydrophobicContact CD1-CH2 3.34Å; F199-W201 AromaticContact CD1-CZ2 3.23Å; F199-W201 HydrophobicContact CD1-CZ2 3.23Å; F199-W201 AromaticContact CD1-CZ3 3.97Å; F199-W201 HydrophobicContact CD1-CZ3 3.97Å; F199-W201 HydrophobicContact CD2-CZ2 4.33Å; F199-W201 AromaticContact CE1-CH2 3.55Å; F199-W201 HydrophobicContact CE1-CH2 3.55Å; F199-W201 AromaticContact CE1-CZ2 3.73Å; F199-W201 HydrophobicContact CE1-CZ2 3.73Å; F199-W201 HydrophobicContact CE1-CZ3 4.37Å; F199-W201 AromaticContact CG-CE2 3.84Å; F199-W201 HydrophobicContact CG-CH2 4.16Å; F199-W201 AromaticContact CG-CZ2 3.57Å; F199-W201 HydrophobicContact CG-CZ2 3.57Å; F199-W201 HydrophobicContact CZ-CZ2 4.46Å
200R98Very high97.7Very high100 Ų10053.6 Ų53.638%0.37729%0.287SS..EExtended strand (participates in β ladder)trans-114.589164.2-66.6-68.4173.4173.7-0.3108.4I173 L174 V175 H176 E198 L219I173-R200 HydrophobicContact CG2-CB 4.42Å; I173-R200 HydrophobicContact CG2-CG 3.56Å; L174-R200 PolarHBondContact O-N 2.98Å; V175-R200 HydrophobicContact CG2-CB 4.06Å; H176-R200 PolarHBondContact N-O 3.09Å; E198-R200 IonicContact OE1-CZ 3.7Å; E198-R200 IonicContact OE1-NE 3.05Å; E198-R200 PolarHBondContact OE1-NE 3.36Å; E198-R200 IonicContact OE1-NH2 2.63Å; E198-R200 PolarHBondContact OE1-NH2 3.48Å; R200-L219 HydrophobicContact CB-CD1 4.08Å; R200-L219 HydrophobicContact CG-CD1 3.98Å
201W98.1Very high97.4Very high92 Ų9253.8 Ų53.835%0.34830%0.299SS..THydrogen-bonded Turntrans-71.2162.3176.9-59.2116.9000111.8H176 R178 L181 F199 S203H176-W201 HydrophobicContact CB-CE3 3.95Å; H176-W201 HydrophobicContact CB-CZ3 4.08Å; H176-W201 CarbonylContact O-C 3.57Å; R178-W201 VanDerWaalsContact O-CE3 3.25Å; L181-W201 HydrophobicContact CD1-CH2 4.47Å; L181-W201 HydrophobicContact CD2-CH2 4.23Å; L181-W201 HydrophobicContact CD2-CZ3 4.08Å; L181-W201 HydrophobicContact CG-CH2 3.82Å; L181-W201 HydrophobicContact CG-CZ3 4.04Å; F199-W201 HydrophobicContact CB-CD2 4.21Å; F199-W201 HydrophobicContact CB-CG 4.49Å; F199-W201 HydrophobicContact CB-CZ2 3.9Å; F199-W201 HydrophobicContact CD1-CD2 4.39Å; F199-W201 AromaticContact CD1-CE2 3.78Å; F199-W201 HydrophobicContact CD1-CE3 4.43Å; F199-W201 AromaticContact CD1-CH2 3.34Å; F199-W201 HydrophobicContact CD1-CH2 3.34Å; F199-W201 AromaticContact CD1-CZ2 3.23Å; F199-W201 HydrophobicContact CD1-CZ2 3.23Å; F199-W201 AromaticContact CD1-CZ3 3.97Å; F199-W201 HydrophobicContact CD1-CZ3 3.97Å; F199-W201 HydrophobicContact CD2-CZ2 4.33Å; F199-W201 AromaticContact CE1-CH2 3.55Å; F199-W201 HydrophobicContact CE1-CH2 3.55Å; F199-W201 AromaticContact CE1-CZ2 3.73Å; F199-W201 HydrophobicContact CE1-CZ2 3.73Å; F199-W201 HydrophobicContact CE1-CZ3 4.37Å; F199-W201 AromaticContact CG-CE2 3.84Å; F199-W201 HydrophobicContact CG-CH2 4.16Å; F199-W201 AromaticContact CG-CZ2 3.57Å; F199-W201 HydrophobicContact CG-CZ2 3.57Å; F199-W201 HydrophobicContact CZ-CZ2 4.46Å; W201-S203 WeakPolarHBondContact O-CB 3.15Å; W201-S203 PolarHBondContact O-N 3.44Å; W201-S203 PolarHBondContact O-OG 2.87Å
202N98.3Very high96.9Very high43 Ų4360.4 Ų60.423%0.2333%0.334CS..THydrogen-bonded Turntrans47.135.6177.8-61-43.4000112.5H176 R178 D179 D221 T222 V223H176-N202 PolarHBondContact O-N 3.22Å; R178-N202 WeakPolarHBondContact CA-OD1 3.46Å; R178-N202 PolarHBondContact O-N 3.37Å; D179-N202 PolarHBondContact N-OD1 3.34Å; N202-D221 CarbonylContact O-C 3.49Å; N202-D221 WeakPolarHBondContact O-CA 3.32Å; N202-T222 VanDerWaalsContact C-OG1 3.3Å; N202-T222 WeakPolarHBondContact CA-OG1 3.42Å; N202-T222 PolarHBondContact O-N 3.2Å; N202-T222 PolarHBondContact O-OG1 2.82Å; N202-T222 VanDerWaalsContact O-OG1 3.08Å; N202-V223 HydrophobicContact CB-CG2 4.02Å
203S98.5Very high97Very high12 Ų1263.5 Ų63.58%0.08433%0.329CS..EExtended strand (participates in β ladder)trans-129141-171-67.90000111V175 H176 R177 W201 R220V175-S203 WeakPolarHBondContact CG1-O 3.28Å; H176-S203 CarbonylContact C-O 3.47Å; H176-S203 PolarHBondContact O-N 3.39Å; R177-S203 WeakPolarHBondContact CA-O 3.21Å; R177-S203 PolarHBondContact N-O 2.96Å; W201-S203 WeakPolarHBondContact O-CB 3.15Å; W201-S203 PolarHBondContact O-N 3.44Å; W201-S203 PolarHBondContact O-OG 2.87Å; S203-R220 WeakPolarHBondContact CA-O 3.47Å
204V98.4Very high97Very high41 Ų4157.9 Ų57.925%0.24830%0.303CS..EExtended strand (participates in β ladder)trans-124.1143.8169.9-67.50000110R177 S206 L219 R220 T222R177-V204 HydrophobicContact CB-CG1 3.63Å; V204-S206 PolarHBondContact O-N 2.86Å; V204-L219 CarbonylContact O-C 3.59Å; V204-L219 WeakPolarHBondContact O-CA 3.23Å; V204-R220 HydrophobicContact CG2-CB 4.24Å; V204-R220 PolarHBondContact N-O 3.19Å; V204-R220 PolarHBondContact O-N 3.27Å; V204-T222 HydrophobicContact CB-CG2 4.47Å; V204-T222 HydrophobicContact CG1-CG2 3.71Å; V204-T222 HydrophobicContact CG2-CG2 4.15Å
205V98.6Very high97.1Very high12 Ų1261 Ų617%0.07332%0.321CS..EExtended strand (participates in β ladder)trans-68.2114.5168.3176.80000108L120 V152 L208 V217 R218 L219L120-V205 HydrophobicContact CD1-CB 4.17Å; L120-V205 HydrophobicContact CD1-CG1 4.1Å; V152-V205 HydrophobicContact CG1-CG2 4.29Å; V152-V205 HydrophobicContact CG2-CG2 3.63Å; V205-L208 HydrophobicContact CG1-CD2 4.07Å; V205-V217 HydrophobicContact CG1-CB 4.14Å; V205-V217 HydrophobicContact CG1-CG1 4.13Å; V205-V217 HydrophobicContact CG2-CB 4.39Å; V205-V217 HydrophobicContact CG2-CG1 4.44Å; V205-R218 CarbonylContact C-O 3.32Å; V205-R218 WeakPolarHBondContact CA-O 3.44Å; V205-L219 HydrophobicContact CG2-CD2 3.81Å
206S98Very high97.1Very high26 Ų2651.5 Ų51.518%0.18228%0.276CS..EExtended strand (participates in β ladder)trans-95.8-25.1178.562.60000112.8V204 R218 E227V204-S206 PolarHBondContact O-N 2.86Å; S206-R218 PolarHBondContact N-O 2.95Å; S206-R218 PolarHBondContact OG-O 3.48Å; S206-E227 PolarHBondContact OG-OE1 2.77Å
207A98.3Very high97.1Very high24 Ų2449.3 Ų49.320%0.19827%0.265CS..EExtended strand (participates in β ladder)trans-154.2152.317500000111.8R218A207-R218 HydrophobicContact CB-CB 4Å; A207-R218 PolarHBondContact N-O 2.93Å; A207-R218 PolarHBondContact O-N 3.43Å
208L98.4Very high97.1Very high19 Ų1952.8 Ų52.810%0.09928%0.276CS..EExtended strand (participates in β ladder)trans-95.1132.4168-57.9174.1000108.5V122 E125 L128 V133 V205 L214 V217 V235V122-L208 HydrophobicContact CG2-CD1 3.81Å; V122-L208 HydrophobicContact CG2-CD2 4.35Å; V122-L208 HydrophobicContact CG2-CG 3.7Å; E125-L208 HydrophobicContact CB-CD1 3.92Å; E125-L208 HydrophobicContact CG-CD1 4.4Å; L128-L208 HydrophobicContact CD1-CB 3.84Å; L128-L208 HydrophobicContact CD1-CD1 3.87Å; L128-L208 HydrophobicContact CD1-CG 4.47Å; V133-L208 HydrophobicContact CG2-CD1 3.81Å; V205-L208 HydrophobicContact CG1-CD2 4.07Å; L208-L214 HydrophobicContact CB-CD1 4.02Å; L208-L214 HydrophobicContact CD2-CD1 4.08Å; L208-V217 HydrophobicContact CD2-CG1 3.99Å; L208-V235 HydrophobicContact CD2-CG2 4.48Å
209L98.2Very high97.2Very high42 Ų4250.3 Ų50.322%0.2226%0.264CS..EExtended strand (participates in β ladder)trans-100.7127.1176.2-51.9-180000108.3T215 G216 V229L209-T215 PolarHBondContact O-N 2.91Å; L209-T215 PolarHBondContact O-OG1 3.16Å; L209-G216 WeakPolarHBondContact CB-O 3.29Å; L209-G216 PolarHBondContact N-O 2.98Å; L209-G216 PolarHBondContact O-N 3.47Å; L209-V229 HydrophobicContact CD1-CB 4.47Å; L209-V229 HydrophobicContact CD1-CG1 3.49Å; L209-V229 VanDerWaalsContact CD1-CG1 3.49Å; L209-V229 HydrophobicContact CD1-CG2 4.18Å
210S96.1Very high97.2Very high63 Ų6353.2 Ų53.244%0.44127%0.273SS..EExtended strand (participates in β ladder)trans-156.5149.5-17559.30000113.6R213S210-R213 VanDerWaalsContact CA-O 3.26Å; S210-R213 WeakPolarHBondContact CA-O 3.34Å; S210-R213 VanDerWaalsContact CB-O 3.28Å; S210-R213 WeakPolarHBondContact CB-O 3.43Å
211G89.8Confident97.2Very high58 Ų5850.4 Ų50.460%0.59827%0.266SS*.SBendtrans-100.2-113.5153.900000108.8R213G211-R213 VanDerWaalsContact C-N 3.26Å; G211-R213 PolarHBondContact N-O 3.43Å; G211-R213 VanDerWaalsContact N-O 3.14Å; G211-R213 PolarHBondContact O-N 3.27Å
212D88.5Confident97.2Very high142 Ų14249.3 Ų49.376%0.75927%0.27SS*.SBendtrans-70.3-23.6171.3-66.1-29000113.5
213R95.1Very high97.2Very high143 Ų14352.4 Ų52.454%0.5429%0.29SS..SBendtrans-138.5164.1178.9-61-173.274.11385109.7R131 S210 G211R131-R213 WeakPolarHBondContact O-CA 3.46Å; R131-R213 WeakPolarHBondContact O-CB 3.43Å; S210-R213 VanDerWaalsContact CA-O 3.26Å; S210-R213 WeakPolarHBondContact CA-O 3.34Å; S210-R213 VanDerWaalsContact CB-O 3.28Å; S210-R213 WeakPolarHBondContact CB-O 3.43Å; G211-R213 VanDerWaalsContact C-N 3.26Å; G211-R213 PolarHBondContact N-O 3.43Å; G211-R213 VanDerWaalsContact N-O 3.14Å; G211-R213 PolarHBondContact O-N 3.27Å
214L98Very high97.1Very high10 Ų1056.3 Ų56.35%0.05231%0.313CS..EExtended strand (participates in β ladder)trans-58.7135.9172.7-17283.3000110.6L128 R131 L208 G216 V235L128-L214 HydrophobicContact CD1-CD1 4.02Å; R131-L214 PolarHBondContact O-N 3.28Å; L208-L214 HydrophobicContact CB-CD1 4.02Å; L208-L214 HydrophobicContact CD2-CD1 4.08Å; L214-G216 WeakPolarHBondContact CD1-O 3.28Å; L214-V235 HydrophobicContact CD1-CG2 4.5Å; L214-V235 HydrophobicContact CD2-CB 4.03Å; L214-V235 HydrophobicContact CD2-CG2 3.49Å; L214-V235 VanDerWaalsContact CD2-CG2 3.49Å
215T98.1Very high97.1Very high82 Ų8256.4 Ų56.450%0.50332%0.323SS..EExtended strand (participates in β ladder)trans-122.8-14.3174.958.60000112.9L209 C232L209-T215 PolarHBondContact O-N 2.91Å; L209-T215 PolarHBondContact O-OG1 3.16Å; T215-C232 CarbonylContact C-O 3.54Å; T215-C232 PolarHBondContact O-N 3.13Å; T215-C232 VanDerWaalsContact O-N 3.17Å
216G98.4Very high97Very high0 Ų062.5 Ų62.50%035%0.35CS..EExtended strand (participates in β ladder)trans175.7-177.7179.200000113.1L209 L214 V230 C232L209-G216 WeakPolarHBondContact CB-O 3.29Å; L209-G216 PolarHBondContact N-O 2.98Å; L209-G216 PolarHBondContact O-N 3.47Å; L214-G216 WeakPolarHBondContact CD1-O 3.28Å; G216-V230 CarbonylContact C-O 3.44Å; G216-V230 WeakPolarHBondContact CA-O 3.5Å; G216-C232 PolarHBondContact N-O 3.46Å
217V98.7Very high97Very high0 Ų065.9 Ų65.90%036%0.363CS..EExtended strand (participates in β ladder)trans-128.7146.7173.3-64.70000110.6V150 V205 L208 L219 V230 V235V150-V217 HydrophobicContact CG2-CG2 4.04Å; V205-V217 HydrophobicContact CG1-CB 4.14Å; V205-V217 HydrophobicContact CG1-CG1 4.13Å; V205-V217 HydrophobicContact CG2-CB 4.39Å; V205-V217 HydrophobicContact CG2-CG1 4.44Å; L208-V217 HydrophobicContact CD2-CG1 3.99Å; V217-L219 HydrophobicContact CB-CD2 4.45Å; V217-L219 HydrophobicContact CG2-CD2 3.73Å; V217-L219 HydrophobicContact CG2-CG 4.26Å; V217-V230 HydrophobicContact CG2-CB 3.95Å; V217-V230 PolarHBondContact N-O 3.41Å; V217-V230 PolarHBondContact O-N 2.83Å; V217-V235 HydrophobicContact CG1-CG2 3.31Å
218R98.7Very high97Very high92 Ų9267.2 Ų67.235%0.34737%0.371SS..EExtended strand (participates in β ladder)trans-90.2127.1161.5-166.5175.4-57.8150.64.5108.8V205 S206 A207 E227 S228V205-R218 CarbonylContact C-O 3.32Å; V205-R218 WeakPolarHBondContact CA-O 3.44Å; S206-R218 PolarHBondContact N-O 2.95Å; S206-R218 PolarHBondContact OG-O 3.48Å; A207-R218 HydrophobicContact CB-CB 4Å; A207-R218 PolarHBondContact N-O 2.93Å; A207-R218 PolarHBondContact O-N 3.43Å; R218-E227 VanDerWaalsContact CD-OE2 3.25Å; R218-E227 WeakPolarHBondContact CD-OE2 3.4Å; R218-E227 HydrophobicContact CG-CB 4.39Å; R218-S228 CarbonylContact C-O 3.52Å; R218-S228 WeakPolarHBondContact CA-O 3.5Å
219L98.7Very high97Very high0 Ų070.3 Ų70.30%039%0.391CS..EExtended strand (participates in β ladder)trans-100.9145.6172.3-55.9-172.7000109.2V175 R200 V204 V205 V217 E227 S228 V230V175-L219 HydrophobicContact CG1-CD2 4.01Å; V175-L219 HydrophobicContact CG2-CD1 4.08Å; V175-L219 HydrophobicContact CG2-CD2 3.98Å; R200-L219 HydrophobicContact CB-CD1 4.08Å; R200-L219 HydrophobicContact CG-CD1 3.98Å; V204-L219 CarbonylContact O-C 3.59Å; V204-L219 WeakPolarHBondContact O-CA 3.23Å; V205-L219 HydrophobicContact CG2-CD2 3.81Å; V217-L219 HydrophobicContact CB-CD2 4.45Å; V217-L219 HydrophobicContact CG2-CD2 3.73Å; V217-L219 HydrophobicContact CG2-CG 4.26Å; L219-E227 CarbonylContact O-C 3.53Å; L219-E227 VanDerWaalsContact O-CA 3.24Å; L219-E227 WeakPolarHBondContact O-CA 3.35Å; L219-S228 PolarHBondContact N-O 3.3Å; L219-S228 PolarHBondContact O-N 2.98Å; L219-V230 HydrophobicContact CD1-CG2 3.64Å; L219-V230 HydrophobicContact CG-CG2 4.09Å
220R98.6Very high97Very high116 Ų11669 Ų6944%0.43838%0.384SS..EExtended strand (participates in β ladder)trans-122.5127.3168.3173173.249.3-157.7-11.1108.8S203 V204 E226 E227S203-R220 WeakPolarHBondContact CA-O 3.47Å; V204-R220 HydrophobicContact CG2-CB 4.24Å; V204-R220 PolarHBondContact N-O 3.19Å; V204-R220 PolarHBondContact O-N 3.27Å; R220-E226 WeakPolarHBondContact CA-O 3.4Å; R220-E227 HydrophobicContact CB-CG 4.41Å
221D98.4Very high97.1Very high41 Ų4172 Ų7222%0.21940%0.396CS..EExtended strand (participates in β ladder)trans-68.6129.3173.7-171-64.2000109.7N202 V223 T224 G225 E226N202-D221 CarbonylContact O-C 3.49Å; N202-D221 WeakPolarHBondContact O-CA 3.32Å; D221-V223 VanDerWaalsContact C-N 3.3Å; D221-V223 VanDerWaalsContact OD1-CA 3.3Å; D221-V223 WeakPolarHBondContact OD1-CA 3.44Å; D221-V223 VanDerWaalsContact OD1-CB 3.31Å; D221-V223 WeakPolarHBondContact OD1-CB 3.45Å; D221-V223 PolarHBondContact OD1-N 2.93Å; D221-T224 VanDerWaalsContact CB-OG1 3.32Å; D221-T224 WeakPolarHBondContact CB-OG1 3.07Å; D221-T224 PolarHBondContact OD1-N 3.27Å; D221-G225 WeakPolarHBondContact O-CA 3.42Å; D221-G225 PolarHBondContact O-N 3.4Å; D221-E226 HydrophobicContact CB-CB 4.48Å; D221-E226 PolarHBondContact N-O 3.34Å
222T97.9Very high97.6Very high70 Ų7069.5 Ų69.543%0.42937%0.369SS..THydrogen-bonded Turntrans-80.3-10.9-176.256.50000113.5R177 N202 V204R177-T222 HydrophobicContact CB-CG2 4.47Å; R177-T222 PolarHBondContact O-OG1 3.44Å; N202-T222 VanDerWaalsContact C-OG1 3.3Å; N202-T222 WeakPolarHBondContact CA-OG1 3.42Å; N202-T222 PolarHBondContact O-N 3.2Å; N202-T222 PolarHBondContact O-OG1 2.82Å; N202-T222 VanDerWaalsContact O-OG1 3.08Å; V204-T222 HydrophobicContact CB-CG2 4.47Å; V204-T222 HydrophobicContact CG1-CG2 3.71Å; V204-T222 HydrophobicContact CG2-CG2 4.15Å
223V97.7Very high98Very high108 Ų10866.1 Ų66.166%0.65535%0.351SS*.THydrogen-bonded Turntrans-101.6-48.8178-179.30000110.3N202 D221N202-V223 HydrophobicContact CB-CG2 4.02Å; D221-V223 VanDerWaalsContact C-N 3.3Å; D221-V223 VanDerWaalsContact OD1-CA 3.3Å; D221-V223 WeakPolarHBondContact OD1-CA 3.44Å; D221-V223 VanDerWaalsContact OD1-CB 3.31Å; D221-V223 WeakPolarHBondContact OD1-CB 3.45Å; D221-V223 PolarHBondContact OD1-N 2.93Å
224T97.4Very high98.2Very high93 Ų9359.3 Ų59.357%0.57133%0.325SS*.THydrogen-bonded Turntrans-97.4-22.9-174.170.50000113.4D221 E226D221-T224 VanDerWaalsContact CB-OG1 3.32Å; D221-T224 WeakPolarHBondContact CB-OG1 3.07Å; D221-T224 PolarHBondContact OD1-N 3.27Å; T224-E226 PolarHBondContact O-N 3.31Å; T224-E226 WeakPolarHBondContact OG1-CB 3.45Å; T224-E226 PolarHBondContact OG1-N 3.28Å; T224-E226 VanDerWaalsContact OG1-N 3.16Å
225G97.1Very high98.2Very high44 Ų4458.8 Ų58.845%0.45432%0.322SS..  trans77.20.5-171.500000114.3D221D221-G225 WeakPolarHBondContact O-CA 3.42Å; D221-G225 PolarHBondContact O-N 3.4Å
226E97.9Very high98.2Very high139 Ų13955 Ų5565%0.6530%0.299SS*.  trans-61.6137177.9-172.7178176.500110.8R220 D221 T224R220-E226 WeakPolarHBondContact CA-O 3.4Å; D221-E226 HydrophobicContact CB-CB 4.48Å; D221-E226 PolarHBondContact N-O 3.34Å; T224-E226 PolarHBondContact O-N 3.31Å; T224-E226 WeakPolarHBondContact OG1-CB 3.45Å; T224-E226 PolarHBondContact OG1-N 3.28Å; T224-E226 VanDerWaalsContact OG1-N 3.16Å
227E98.2Very high98.1Very high97 Ų9755.2 Ų55.245%0.45330%0.3SS..EExtended strand (participates in β ladder)trans-100.9140.1175.4-63.5-158.4132.600111S206 R218 L219 R220S206-E227 PolarHBondContact OG-OE1 2.77Å; R218-E227 VanDerWaalsContact CD-OE2 3.25Å; R218-E227 WeakPolarHBondContact CD-OE2 3.4Å; R218-E227 HydrophobicContact CG-CB 4.39Å; L219-E227 CarbonylContact O-C 3.53Å; L219-E227 VanDerWaalsContact O-CA 3.24Å; L219-E227 WeakPolarHBondContact O-CA 3.35Å; R220-E227 HydrophobicContact CB-CG 4.41Å
228S98.3Very high98Very high53 Ų5356 Ų5637%0.37131%0.305SS..EExtended strand (participates in β ladder)trans-137.1158.3173.5580000110.7R218 L219R218-S228 CarbonylContact C-O 3.52Å; R218-S228 WeakPolarHBondContact CA-O 3.5Å; L219-S228 PolarHBondContact N-O 3.3Å; L219-S228 PolarHBondContact O-N 2.98Å
229V98.4Very high97.9Very high84 Ų8453.9 Ų53.951%0.50930%0.303SS..EExtended strand (participates in β ladder)trans-110.1136.6176.8174.20000109.2L209L209-V229 HydrophobicContact CD1-CB 4.47Å; L209-V229 HydrophobicContact CD1-CG1 3.49Å; L209-V229 VanDerWaalsContact CD1-CG1 3.49Å; L209-V229 HydrophobicContact CD1-CG2 4.18Å
230V98.1Very high97.5Very high13 Ų1355.6 Ų55.68%0.07932%0.321CS..EExtended strand (participates in β ladder)trans-122.4115.9173.7175.10000108.3V150 I173 G216 V217 L219 C232V150-V230 HydrophobicContact CG2-CG1 4.19Å; I173-V230 HydrophobicContact CD1-CG1 3.35Å; G216-V230 CarbonylContact C-O 3.44Å; G216-V230 WeakPolarHBondContact CA-O 3.5Å; V217-V230 HydrophobicContact CG2-CB 3.95Å; V217-V230 PolarHBondContact N-O 3.41Å; V217-V230 PolarHBondContact O-N 2.83Å; L219-V230 HydrophobicContact CD1-CG2 3.64Å; L219-V230 HydrophobicContact CG-CG2 4.09Å; V230-C232 PolarHBondContact O-N 2.91Å
231D98.2Very high97.2Very high128 Ų12854.2 Ų54.268%0.68432%0.315SS*.EExtended strand (participates in β ladder)trans-71.1127.6172.1-64.1-24.8000109.6
232C98.4Very high97Very high5 Ų557.8 Ų57.83%0.03433%0.331CS..  trans-156.4147.7178.166.20000111.1T148 V150 T215 G216 V230T148-C232 HydrophobicContact CG2-CB 4.2Å; V150-C232 HydrophobicContact CG2-CB 3.84Å; T215-C232 CarbonylContact C-O 3.54Å; T215-C232 PolarHBondContact O-N 3.13Å; T215-C232 VanDerWaalsContact O-N 3.17Å; G216-C232 PolarHBondContact N-O 3.46Å; V230-C232 PolarHBondContact O-N 2.91Å
233D98.1Very high96.9Very high70 Ų7054.7 Ų54.737%0.37431%0.312SS..SBendtrans-82.1-26.5179.7-56.9-90.5000112.3Y144 K147 T148Y144-D233 HydrophobicContact CD1-CB 4.08Å; Y144-D233 HydrophobicContact CE1-CB 4.31Å; Y144-D233 WeakPolarHBondContact CE1-O 3.19Å; K147-D233 HydrophobicContact CB-CB 3.91Å; K147-D233 WeakPolarHBondContact CB-OD2 3.46Å; K147-D233 HydrophobicContact CD-CB 3.68Å; K147-D233 HydrophobicContact CG-CB 4.34Å; T148-D233 PolarHBondContact N-OD2 3.34Å; T148-D233 PolarHBondContact O-N 3.16Å
234G98.1Very high96.9Very high0 Ų050.7 Ų50.70%029%0.29CS..EExtended strand (participates in β ladder)trans-148149.2-175.700000113.9G132 V149 V150G132-G234 CarbonylContact O-C 3.57Å; G132-G234 VanDerWaalsContact O-CA 3.27Å; G132-G234 WeakPolarHBondContact O-CA 3.45Å; V149-G234 CarbonylContact C-O 3.49Å; V149-G234 WeakPolarHBondContact CA-O 3.25Å; V150-G234 PolarHBondContact N-O 2.67Å
235V98.6Very high96.9Very high0 Ų046.9 Ų46.90%027%0.267CS..EExtended strand (participates in β ladder)trans-125.2121175.3170.60000109L120 G132 V133 A134 V150 V152 L208 L214 V217 V237L120-V235 HydrophobicContact CD1-CG1 4.39Å; G132-V235 PolarHBondContact O-N 3.15Å; V133-V235 WeakPolarHBondContact CA-O 3.37Å; A134-V235 PolarHBondContact N-O 3.23Å; V150-V235 HydrophobicContact CB-CG2 4.02Å; V150-V235 HydrophobicContact CG1-CG2 4.39Å; V150-V235 CarbonylContact O-C 3.55Å; V150-V235 WeakPolarHBondContact O-CA 3.22Å; V152-V235 HydrophobicContact CG2-CG1 3.94Å; L208-V235 HydrophobicContact CD2-CG2 4.48Å; L214-V235 HydrophobicContact CD1-CG2 4.5Å; L214-V235 HydrophobicContact CD2-CB 4.03Å; L214-V235 HydrophobicContact CD2-CG2 3.49Å; L214-V235 VanDerWaalsContact CD2-CG2 3.49Å; V217-V235 HydrophobicContact CG1-CG2 3.31Å; V235-V237 HydrophobicContact CG1-CG2 3.95Å
236F98.1Very high96.8Very high1 Ų148.9 Ų48.90%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-105112.8176.5-69-95.6000109.5A134 A137 D140 Y144 V149 V150 V151 V152 L165A134-F236 HydrophobicContact CB-CD1 3.72Å; A134-F236 HydrophobicContact CB-CE1 3.64Å; A134-F236 HydrophobicContact CB-CG 4.42Å; A134-F236 HydrophobicContact CB-CZ 4.28Å; A134-F236 CarbonylContact O-C 3.58Å; A134-F236 WeakPolarHBondContact O-CA 3.44Å; A137-F236 HydrophobicContact CB-CD1 4.03Å; A137-F236 HydrophobicContact CB-CE1 4.3Å; D140-F236 HydrophobicContact CB-CE1 4Å; D140-F236 HydrophobicContact CB-CZ 4.31Å; Y144-F236 AromaticContact CD2-CE2 3.84Å; Y144-F236 HydrophobicContact CD2-CE2 3.84Å; Y144-F236 AromaticContact CD2-CZ 3.52Å; Y144-F236 HydrophobicContact CD2-CZ 3.52Å; Y144-F236 AromaticContact CE2-CE2 3.95Å; Y144-F236 HydrophobicContact CE2-CE2 3.95Å; Y144-F236 AromaticContact CE2-CZ 3.57Å; Y144-F236 HydrophobicContact CE2-CZ 3.57Å; Y144-F236 HydrophobicContact CG-CE2 4.31Å; Y144-F236 HydrophobicContact CG-CZ 4.4Å; V149-F236 HydrophobicContact CB-CD2 4.18Å; V149-F236 HydrophobicContact CB-CE2 4.07Å; V149-F236 HydrophobicContact CG1-CE2 3.89Å; V150-F236 PolarHBondContact O-N 2.78Å; V151-F236 CarbonylContact C-O 3.53Å; V151-F236 WeakPolarHBondContact CA-O 3.42Å; V151-F236 HydrophobicContact CG2-CB 4.22Å; V152-F236 PolarHBondContact N-O 3.11Å; L165-F236 HydrophobicContact CD1-CB 4.16Å; L165-F236 HydrophobicContact CD1-CD1 4.09Å; L165-F236 HydrophobicContact CD1-CD2 3.52Å; L165-F236 HydrophobicContact CD1-CE1 4.4Å; L165-F236 HydrophobicContact CD1-CE2 3.87Å; L165-F236 HydrophobicContact CD1-CG 3.64Å; L165-F236 HydrophobicContact CD1-CZ 4.29Å; L165-F236 HydrophobicContact CD2-CD2 4.4Å; L165-F236 HydrophobicContact CD2-CE1 4.23Å; L165-F236 HydrophobicContact CD2-CE2 3.89Å; L165-F236 HydrophobicContact CD2-CZ 3.79Å
237V97.6Very high96.8Very high6 Ų644.6 Ų44.64%0.03626%0.261CS..EExtended strand (participates in β ladder)trans-93.2114.5-172.3-178.20000110.4L120 V133 A134 Y135 V235 V239L120-V237 HydrophobicContact CD1-CG2 3.82Å; L120-V237 HydrophobicContact CD2-CG1 3.75Å; L120-V237 HydrophobicContact CD2-CG2 4.3Å; L120-V237 HydrophobicContact CG-CB 4.47Å; L120-V237 HydrophobicContact CG-CG1 3.8Å; L120-V237 HydrophobicContact CG-CG2 3.79Å; V133-V237 HydrophobicContact CG1-CG2 4.2Å; A134-V237 PolarHBondContact O-N 2.9Å; Y135-V237 HydrophobicContact CD1-CB 3.7Å; Y135-V237 HydrophobicContact CD1-CG1 4.13Å; Y135-V237 HydrophobicContact CE1-CB 3.52Å; Y135-V237 HydrophobicContact CE1-CG1 3.64Å; Y135-V237 HydrophobicContact CE1-CG2 4.21Å; V235-V237 HydrophobicContact CG1-CG2 3.95Å; V237-V239 HydrophobicContact CG1-CG1 4.4Å; V237-V239 HydrophobicContact CG1-CG2 3.81Å
238S96Very high96.7Very high15 Ų1540.1 Ų40.111%0.10524%0.24CC..EExtended strand (participates in β ladder)trans-134.343.4-172-1350000110.7V152 S157 A158 D161V152-S238 CarbonylContact O-C 3.37Å; V152-S238 VanDerWaalsContact O-CA 3.27Å; V152-S238 WeakPolarHBondContact O-CA 3.23Å; V152-S238 PolarHBondContact O-N 2.94Å; S157-S238 VanDerWaalsContact CB-OG 3.31Å; S157-S238 WeakPolarHBondContact CB-OG 2.89Å; A158-S238 PolarHBondContact N-OG 3.42Å; D161-S238 WeakPolarHBondContact OD2-CB 3.15Å; D161-S238 PolarHBondContact OD2-OG 3Å
239V95.5Very high96.6Very high49 Ų4942.1 Ų42.130%0.29725%0.25SC..SBendtrans-90.22.3-172.1-64.90000114.8R118 L120 V152 V237R118-V239 HydrophobicContact CB-CG2 3.97Å; R118-V239 WeakPolarHBondContact O-CG2 3.21Å; L120-V239 HydrophobicContact CD2-CG1 3.85Å; L120-V239 HydrophobicContact CD2-CG2 4.49Å; V152-V239 HydrophobicContact CB-CG1 4.22Å; V152-V239 HydrophobicContact CG1-CG1 3.75Å; V152-V239 WeakPolarHBondContact O-CG1 3.42Å; V152-V239 PolarHBondContact O-N 3.29Å; V237-V239 HydrophobicContact CG1-CG1 4.4Å; V237-V239 HydrophobicContact CG1-CG2 3.81Å
240G91.5Very high96.5Very high36 Ų3642.1 Ų42.137%0.37127%0.266SS..  trans122.7-173.3-179.500000112R118R118-G240 WeakPolarHBondContact CB-O 3.06Å; R118-G240 PolarHBondContact N-O 2.84Å
241R91.7Very high96.5Very high86 Ų8644.4 Ų44.433%0.32528%0.277SS..EExtended strand (participates in β ladder)trans-131156.2-175.2-65.3-175.4168.6173.7-0.5111.5Q43 A115 D116 R118Q43-R241 VanDerWaalsContact NE2-CD 3.29Å; Q43-R241 VanDerWaalsContact NE2-NE 3.14Å; A115-R241 HydrophobicContact CB-CB 3.92Å; D116-R241 CarbonylContact O-C 3.57Å; D116-R241 WeakPolarHBondContact O-CA 3.33Å; D116-R241 VanDerWaalsContact O-CB 3.28Å; D116-R241 WeakPolarHBondContact O-CB 3.24Å; R118-R241 PolarHBondContact NE-O 3.31Å
242Q93.4Very high96.5Very high116 Ų11639 Ų3954%0.54225%0.247SC..EExtended strand (participates in β ladder)trans-118.2133.4174.3178.4174.7600108.2A115 D116 R118A115-Q242 CarbonylContact C-O 3.5Å; A115-Q242 WeakPolarHBondContact CA-O 3.27Å; A115-Q242 VanDerWaalsContact CB-O 3.28Å; A115-Q242 WeakPolarHBondContact CB-O 3.42Å; D116-Q242 PolarHBondContact N-O 2.71Å; D116-Q242 PolarHBondContact O-N 3.48Å; R118-Q242 HydrophobicContact CG-CB 4.22Å
243P96.8Very high96.5Very high5 Ų540.9 Ų40.93%0.03226%0.264CS..EExtended strand (participates in β ladder)trans-63.2141.2-178.229.5-37.8000111.1T245 G258 Y259P243-T245 VanDerWaalsContact C-N 3.25Å; P243-T245 HydrophobicContact CB-CG2 3.96Å; P243-T245 HydrophobicContact CG-CG2 4.37Å; P243-T245 PolarHBondContact O-N 3.21Å; P243-T245 PolarHBondContact O-OG1 3.22Å; P243-G258 VanDerWaalsContact CG-C 3.45Å; P243-G258 VanDerWaalsContact CG-O 3.23Å; P243-G258 WeakPolarHBondContact CG-O 3.45Å; P243-Y259 HydrophobicContact CB-CD1 3.52Å; P243-Y259 HydrophobicContact CB-CE1 3.68Å; P243-Y259 HydrophobicContact CB-CG 4.04Å; P243-Y259 HydrophobicContact CG-CD1 3.69Å; P243-Y259 HydrophobicContact CG-CD2 3.95Å; P243-Y259 HydrophobicContact CG-CE1 3.83Å; P243-Y259 HydrophobicContact CG-CE2 4.08Å; P243-Y259 HydrophobicContact CG-CG 3.73Å
244A96.8Very high96.5Very high25 Ų2540.3 Ų40.321%0.20726%0.26CS..  trans-81.870.5-177.700000110.4T113 G114T113-A244 WeakPolarHBondContact O-CB 3.42Å; T113-A244 PolarHBondContact OG1-O 2.85Å; G114-A244 PolarHBondContact O-N 3.16Å
245T97.7Very high96.5Very high12 Ų1242.6 Ų42.67%0.07427%0.272CS..  trans-108.59.6-169.348.10000114.9P243 L247 A248 V249 L254 G258 I260 V279P243-T245 VanDerWaalsContact C-N 3.25Å; P243-T245 HydrophobicContact CB-CG2 3.96Å; P243-T245 HydrophobicContact CG-CG2 4.37Å; P243-T245 PolarHBondContact O-N 3.21Å; P243-T245 PolarHBondContact O-OG1 3.22Å; T245-L247 PolarHBondContact O-N 2.9Å; T245-L247 VanDerWaalsContact O-N 3.15Å; T245-A248 WeakPolarHBondContact O-CA 3.47Å; T245-A248 WeakPolarHBondContact O-CB 3.42Å; T245-A248 PolarHBondContact O-N 2.9Å; T245-V249 PolarHBondContact O-N 2.78Å; T245-L254 HydrophobicContact CG2-CD2 4.33Å; T245-G258 VanDerWaalsContact CG2-O 3.31Å; T245-G258 WeakPolarHBondContact CG2-O 3.47Å; T245-G258 PolarHBondContact OG1-O 2.88Å; T245-I260 HydrophobicContact CG2-CD1 4.18Å; T245-I260 HydrophobicContact CG2-CG1 3.7Å; T245-V279 HydrophobicContact CG2-CG2 3.45Å; T245-V279 VanDerWaalsContact CG2-CG2 3.45Å
246A96.4Very high96.3Very high87 Ų8747.2 Ų47.272%0.71932%0.32SS*.G310 helixtrans-50.8-43.1-178.700000113A248 V249A246-A248 VanDerWaalsContact C-N 3.27Å; A246-A248 PolarHBondContact O-N 2.83Å; A246-V249 PolarHBondContact O-N 2.93Å
247L96.3Very high96.1Very high49 Ų4949 Ų4926%0.25734%0.338SS..G310 helixtrans-70.6-19.5178.4-63.9170.6000114.1V85 L86 M88 T245 Q251V85-L247 HydrophobicContact CB-CD1 4.02Å; V85-L247 HydrophobicContact CG1-CD1 3.74Å; L86-L247 VanDerWaalsContact O-CD2 3.27Å; L86-L247 WeakPolarHBondContact O-CD2 3.39Å; M88-L247 HydrophobicContact CE-CB 3.47Å; M88-L247 VanDerWaalsContact CE-CB 3.47Å; M88-L247 HydrophobicContact CE-CD1 4.42Å; T245-L247 PolarHBondContact O-N 2.9Å; T245-L247 VanDerWaalsContact O-N 3.15Å; L247-Q251 PolarHBondContact O-NE2 2.83Å; L247-Q251 VanDerWaalsContact O-NE2 3.08Å
248A96.6Very high96Very high3 Ų349.7 Ų49.73%0.02535%0.347CS..G310 helixtrans-93-17.8-178.100000113.1T245 A246 G250 Q251 L252 L254 I260T245-A248 WeakPolarHBondContact O-CA 3.47Å; T245-A248 WeakPolarHBondContact O-CB 3.42Å; T245-A248 PolarHBondContact O-N 2.9Å; A246-A248 VanDerWaalsContact C-N 3.27Å; A246-A248 PolarHBondContact O-N 2.83Å; A248-G250 PolarHBondContact O-N 2.93Å; A248-Q251 PolarHBondContact O-N 2.83Å; A248-L252 HydrophobicContact CB-CB 4.32Å; A248-L252 HydrophobicContact CB-CD1 4.06Å; A248-L252 HydrophobicContact CB-CG 4.4Å; A248-L252 PolarHBondContact O-N 3.46Å; A248-L254 HydrophobicContact CB-CD2 4.41Å; A248-I260 HydrophobicContact CB-CD1 4.08Å; A248-I260 HydrophobicContact CB-CG1 4.26Å
249V96.5Very high96.1Very high95 Ų9550 Ų5058%0.57635%0.345SS*.THydrogen-bonded Turntrans-57.7128.6-179.9175.50000110.2T245 A246 Q251 L254T245-V249 PolarHBondContact O-N 2.78Å; A246-V249 PolarHBondContact O-N 2.93Å; V249-Q251 PolarHBondContact O-N 2.8Å; V249-L254 HydrophobicContact CG2-CD1 3.99Å
250G96.6Very high96.3Very high83 Ų8347.7 Ų47.786%0.85633%0.332SS*.THydrogen-bonded Turntrans79.1-6.2-178.700000115A248A248-G250 PolarHBondContact O-N 2.93Å
251Q97.9Very high96.6Very high62 Ų6249.4 Ų49.429%0.2934%0.335SS..THydrogen-bonded Turntrans-110.9-39.6177.4-59.3-167.26500112.6M88 L90 L247 A248 V249 I270M88-Q251 PolarHBondContact O-NE2 2.85Å; M88-Q251 PolarHBondContact O-OE1 3.31Å; L90-Q251 HydrophobicContact CD1-CB 4.42Å; L247-Q251 PolarHBondContact O-NE2 2.83Å; L247-Q251 VanDerWaalsContact O-NE2 3.08Å; A248-Q251 PolarHBondContact O-N 2.83Å; V249-Q251 PolarHBondContact O-N 2.8Å; Q251-I270 WeakPolarHBondContact O-CD1 3.39Å
252L98.4Very high96.9Very high14 Ų1445.5 Ų45.57%0.07332%0.321CS..SBendtrans-117.9153.7-177-61.5179.9000111.9L90 L111 A248 L254 I260 T268 S269 I270 V273L90-L252 HydrophobicContact CD1-CD1 4.11Å; L90-L252 HydrophobicContact CD1-CD2 4.19Å; L90-L252 HydrophobicContact CD1-CG 4.08Å; L111-L252 HydrophobicContact CD1-CD1 3.45Å; L111-L252 VanDerWaalsContact CD1-CD1 3.45Å; A248-L252 HydrophobicContact CB-CB 4.32Å; A248-L252 HydrophobicContact CB-CD1 4.06Å; A248-L252 HydrophobicContact CB-CG 4.4Å; A248-L252 PolarHBondContact O-N 3.46Å; L252-L254 PolarHBondContact O-N 3.43Å; L252-I260 HydrophobicContact CD1-CD1 4.16Å; L252-I260 HydrophobicContact CD1-CG2 4.17Å; L252-T268 HydrophobicContact CD1-CG2 4.13Å; L252-S269 WeakPolarHBondContact CA-OG 3.19Å; L252-I270 HydrophobicContact CD2-CB 3.99Å; L252-I270 HydrophobicContact CD2-CD1 3.63Å; L252-I270 HydrophobicContact CD2-CG1 3.66Å; L252-V273 HydrophobicContact CD1-CG1 4.35Å
253A98.2Very high97Very high45 Ų4541.9 Ų41.937%0.37232%0.315SS..  trans-65.2126.2169.600000110.5V261 S269A253-V261 HydrophobicContact CB-CB 4.16Å; A253-V261 HydrophobicContact CB-CG2 4.27Å; A253-V261 PolarHBondContact O-N 2.93Å; A253-S269 PolarHBondContact N-OG 3.05Å; A253-S269 VanDerWaalsContact N-OG 3.1Å
254L98.3Very high97Very high57 Ų5748.9 Ų48.930%0.29835%0.347SS..BIsolated β-bridgetrans-115.5145.7174.6-53.7-176.7000110.1T245 A248 V249 L252 Y259 I260T245-L254 HydrophobicContact CG2-CD2 4.33Å; A248-L254 HydrophobicContact CB-CD2 4.41Å; V249-L254 HydrophobicContact CG2-CD1 3.99Å; L252-L254 PolarHBondContact O-N 3.43Å; L254-Y259 CarbonylContact C-O 3.46Å; L254-Y259 WeakPolarHBondContact CA-O 3.27Å; L254-I260 HydrophobicContact CD2-CB 4.29Å; L254-I260 HydrophobicContact CD2-CG1 3.73Å
255D97Very high97.1Very high49 Ų4950.3 Ų50.326%0.26235%0.354SS..  trans-77.6175.1171.97417.3000112G257 G258 Y259 V261 T281D255-G257 PolarHBondContact O-N 3.28Å; D255-G257 VanDerWaalsContact O-N 3.07Å; D255-G257 VanDerWaalsContact OD1-CA 3.26Å; D255-G257 WeakPolarHBondContact OD1-CA 3.29Å; D255-G257 PolarHBondContact OD1-N 2.86Å; D255-G258 PolarHBondContact O-N 3.41Å; D255-G258 PolarHBondContact OD1-N 3.43Å; D255-G258 VanDerWaalsContact OD1-N 3.11Å; D255-Y259 PolarHBondContact N-O 3.18Å; D255-Y259 PolarHBondContact OD1-N 3.04Å; D255-V261 HydrophobicContact CB-CG2 4.19Å; D255-T281 WeakPolarHBondContact OD2-CB 3.26Å; D255-T281 WeakPolarHBondContact OD2-CG2 3.28Å; D255-T281 PolarHBondContact OD2-OG1 2.85Å
256G94.5Very high97.1Very high96 Ų9649.8 Ų49.899%0.9935%0.35SS*.THydrogen-bonded Turntrans-63.4-13.1179.500000114.8
257G93.8Very high97.2Very high38 Ų3849.6 Ų49.639%0.39234%0.335SS..THydrogen-bonded Turntrans-93.5-0.8172.700000113.9D255D255-G257 PolarHBondContact O-N 3.28Å; D255-G257 VanDerWaalsContact O-N 3.07Å; D255-G257 VanDerWaalsContact OD1-CA 3.26Å; D255-G257 WeakPolarHBondContact OD1-CA 3.29Å; D255-G257 PolarHBondContact OD1-N 2.86Å
258G96.9Very high97.3Very high21 Ų2148.1 Ų48.122%0.21633%0.328CS..SBendtrans82.99.6-17800000114.5P243 T245 D255P243-G258 VanDerWaalsContact CG-C 3.45Å; P243-G258 VanDerWaalsContact CG-O 3.23Å; P243-G258 WeakPolarHBondContact CG-O 3.45Å; T245-G258 VanDerWaalsContact CG2-O 3.31Å; T245-G258 WeakPolarHBondContact CG2-O 3.47Å; T245-G258 PolarHBondContact OG1-O 2.88Å; D255-G258 PolarHBondContact O-N 3.41Å; D255-G258 PolarHBondContact OD1-N 3.43Å; D255-G258 VanDerWaalsContact OD1-N 3.11Å
259Y97.9Very high97.4Very high21 Ų2151.2 Ų51.28%0.08235%0.349CS..  trans-81.8148.7177.9-65.4-94.4000110.6P243 L254 D255 V261 D278 V279 R280 R285P243-Y259 HydrophobicContact CB-CD1 3.52Å; P243-Y259 HydrophobicContact CB-CE1 3.68Å; P243-Y259 HydrophobicContact CB-CG 4.04Å; P243-Y259 HydrophobicContact CG-CD1 3.69Å; P243-Y259 HydrophobicContact CG-CD2 3.95Å; P243-Y259 HydrophobicContact CG-CE1 3.83Å; P243-Y259 HydrophobicContact CG-CE2 4.08Å; P243-Y259 HydrophobicContact CG-CG 3.73Å; L254-Y259 CarbonylContact C-O 3.46Å; L254-Y259 WeakPolarHBondContact CA-O 3.27Å; D255-Y259 PolarHBondContact N-O 3.18Å; D255-Y259 PolarHBondContact OD1-N 3.04Å; Y259-V261 PolarHBondContact O-N 3Å; Y259-D278 WeakPolarHBondContact CD1-O 3.35Å; Y259-D278 VanDerWaalsContact CE1-O 3.22Å; Y259-D278 WeakPolarHBondContact CE1-O 3.26Å; Y259-V279 WeakPolarHBondContact CA-O 3.48Å; Y259-R280 WeakPolarHBondContact CD1-O 3.49Å; Y259-R285 PolarHBondContact OH-NE 3.33Å; Y259-R285 PolarHBondContact OH-NH2 2.89Å
260I98.7Very high97.5Very high2 Ų247.8 Ų47.81%0.0133%0.327CS..BIsolated β-bridgetrans-66.1127.1174.3-60.3171.9000109.1L111 T245 A248 L252 L254 A262 T268 A275 V279 R280 T281L111-I260 HydrophobicContact CB-CD1 4.33Å; L111-I260 HydrophobicContact CD1-CD1 3.77Å; T245-I260 HydrophobicContact CG2-CD1 4.18Å; T245-I260 HydrophobicContact CG2-CG1 3.7Å; A248-I260 HydrophobicContact CB-CD1 4.08Å; A248-I260 HydrophobicContact CB-CG1 4.26Å; L252-I260 HydrophobicContact CD1-CD1 4.16Å; L252-I260 HydrophobicContact CD1-CG2 4.17Å; L254-I260 HydrophobicContact CD2-CB 4.29Å; L254-I260 HydrophobicContact CD2-CG1 3.73Å; I260-A262 HydrophobicContact CG2-CB 4.48Å; I260-A262 PolarHBondContact O-N 2.99Å; I260-T268 HydrophobicContact CG2-CG2 3.74Å; I260-A275 HydrophobicContact CB-CB 3.97Å; I260-A275 HydrophobicContact CD1-CB 4Å; I260-A275 HydrophobicContact CG2-CB 3.7Å; I260-V279 HydrophobicContact CD1-CG1 4.24Å; I260-V279 HydrophobicContact CD1-CG2 3.75Å; I260-V279 HydrophobicContact CG1-CG2 4.18Å; I260-V279 PolarHBondContact N-O 2.63Å; I260-R280 CarbonylContact O-C 3.59Å; I260-R280 VanDerWaalsContact O-CA 3.25Å; I260-R280 WeakPolarHBondContact O-CA 3.48Å; I260-T281 PolarHBondContact O-N 2.71Å; I260-T281 PolarHBondContact O-OG1 2.91Å
261V98.5Very high97.5Very high71 Ų7148 Ų4843%0.4331%0.313SS..  trans-71.698.9174.7-179.10000108.1A253 D255 Y259A253-V261 HydrophobicContact CB-CB 4.16Å; A253-V261 HydrophobicContact CB-CG2 4.27Å; A253-V261 PolarHBondContact O-N 2.93Å; D255-V261 HydrophobicContact CB-CG2 4.19Å; Y259-V261 PolarHBondContact O-N 3Å
262A98.1Very high97.5Very high4 Ų445.2 Ų45.23%0.03330%0.301CS..  trans-147.4118.7174.700000109I260 E267 T268 A275 R280I260-A262 HydrophobicContact CG2-CB 4.48Å; I260-A262 PolarHBondContact O-N 2.99Å; A262-E267 VanDerWaalsContact CA-O 3.31Å; A262-E267 WeakPolarHBondContact CA-O 3.44Å; A262-E267 VanDerWaalsContact CB-O 3.32Å; A262-E267 WeakPolarHBondContact CB-O 3.26Å; A262-T268 HydrophobicContact CB-CG2 4.45Å; A262-A275 HydrophobicContact CB-CB 3.96Å; A262-R280 HydrophobicContact CB-CB 4.14Å; A262-R280 PolarHBondContact O-NH1 3.09Å
263G96.1Very high97.6Very high41 Ų4144.6 Ų44.642%0.42330%0.298SS..  trans-80.9-152.4-17600000113.1T265 T266 R280G263-T265 PolarHBondContact O-N 2.77Å; G263-T266 WeakPolarHBondContact O-CA 3.48Å; G263-T266 PolarHBondContact O-N 2.98Å; G263-R280 PolarHBondContact O-NH1 2.85Å
264E96.2Very high97.6Very high151 Ų15142.5 Ų42.571%0.70628%0.281SS*.THydrogen-bonded Turntrans-62-30.1178.5-68.1-60.3112.200112.7T266 R280 V296E264-T266 PolarHBondContact O-N 2.96Å; E264-R280 IonicContact OE1-NH2 3.47Å; E264-V296 WeakPolarHBondContact O-CG1 3.37Å
265T97.7Very high97.6Very high56 Ų5639.8 Ų39.834%0.34427%0.266SS..THydrogen-bonded Turntrans-73.6-8.9174.863.70000113G263 E267 M300G263-T265 PolarHBondContact O-N 2.77Å; T265-E267 VanDerWaalsContact CB-OE2 3.25Å; T265-E267 WeakPolarHBondContact CB-OE2 3.14Å; T265-E267 PolarHBondContact O-N 2.67Å; T265-E267 PolarHBondContact OG1-OE2 3.31Å; T265-M300 HydrophobicContact CG2-CE 4.18Å; T265-M300 WeakPolarHBondContact O-CG 3.47Å
266T98.6Very high97.7Very high0 Ų037.5 Ų37.50%025%0.254CS..  trans602.3-17472.50000115.4G263 E264 Y274 A275 V276 D293 V296 A297G263-T266 WeakPolarHBondContact O-CA 3.48Å; G263-T266 PolarHBondContact O-N 2.98Å; E264-T266 PolarHBondContact O-N 2.96Å; T266-Y274 CarbonylContact O-C 3.41Å; T266-Y274 WeakPolarHBondContact O-CA 3.32Å; T266-A275 WeakPolarHBondContact CB-O 3.31Å; T266-A275 PolarHBondContact O-N 3.42Å; T266-V276 HydrophobicContact CG2-CG1 4.3Å; T266-D293 HydrophobicContact CG2-CB 4.18Å; T266-V296 HydrophobicContact CG2-CB 4.24Å; T266-V296 HydrophobicContact CG2-CG1 4.26Å; T266-A297 WeakPolarHBondContact OG1-CA 3.37Å; T266-A297 VanDerWaalsContact OG1-CB 3.31Å; T266-A297 WeakPolarHBondContact OG1-CB 3.29Å; T266-A297 PolarHBondContact OG1-N 3.36Å
267E98.5Very high97.9Very high84 Ų8433.2 Ų33.239%0.39321%0.21SC..BIsolated β-bridgetrans-65.4137.4176.2-70165.9136.800110.6A262 T265 Y274 M300A262-E267 VanDerWaalsContact CA-O 3.31Å; A262-E267 WeakPolarHBondContact CA-O 3.44Å; A262-E267 VanDerWaalsContact CB-O 3.32Å; A262-E267 WeakPolarHBondContact CB-O 3.26Å; T265-E267 VanDerWaalsContact CB-OE2 3.25Å; T265-E267 WeakPolarHBondContact CB-OE2 3.14Å; T265-E267 PolarHBondContact O-N 2.67Å; T265-E267 PolarHBondContact OG1-OE2 3.31Å; E267-Y274 HydrophobicContact CG-CD1 3.98Å; E267-Y274 HydrophobicContact CG-CE1 3.62Å; E267-M300 HydrophobicContact CG-CE 4.45Å; E267-M300 VanDerWaalsContact OE1-CE 3.27Å; E267-M300 WeakPolarHBondContact OE1-CE 2.94Å
268T98.7Very high98Very high18 Ų1832.8 Ų32.811%0.1120%0.198CC..  trans-94.5-173173.672.10000110.8L252 I260 A262 I270 V273 A275L252-T268 HydrophobicContact CD1-CG2 4.13Å; I260-T268 HydrophobicContact CG2-CG2 3.74Å; A262-T268 HydrophobicContact CB-CG2 4.45Å; T268-I270 PolarHBondContact O-N 2.86Å; T268-I270 PolarHBondContact OG1-N 2.93Å; T268-I270 PolarHBondContact OG1-O 3.34Å; T268-V273 WeakPolarHBondContact CB-O 3.49Å; T268-V273 HydrophobicContact CG2-CG1 4.17Å; T268-V273 WeakPolarHBondContact CG2-O 3.25Å; T268-V273 PolarHBondContact N-O 3.07Å; T268-V273 WeakPolarHBondContact OG1-CB 3.31Å; T268-V273 PolarHBondContact OG1-O 3.11Å; T268-A275 HydrophobicContact CG2-CB 3.81Å
269S98.1Very high98.1Very high68 Ų6831.8 Ų31.848%0.47619%0.188SC..SBendtrans-68.6-9.3173.756.40000114.6L252 A253L252-S269 WeakPolarHBondContact CA-OG 3.19Å; A253-S269 PolarHBondContact N-OG 3.05Å; A253-S269 VanDerWaalsContact N-OG 3.1Å
270I98.3Very high98.1Very high23 Ų2331.2 Ų31.212%0.11819%0.186CC..SBendtrans-113124.2177.4-64.2177.9000109.5L90 T91 Q251 L252 T268 V273L90-I270 HydrophobicContact CB-CD1 3.74Å; L90-I270 HydrophobicContact CD1-CD1 4.43Å; T91-I270 HydrophobicContact CG2-CD1 4.07Å; Q251-I270 WeakPolarHBondContact O-CD1 3.39Å; L252-I270 HydrophobicContact CD2-CB 3.99Å; L252-I270 HydrophobicContact CD2-CD1 3.63Å; L252-I270 HydrophobicContact CD2-CG1 3.66Å; T268-I270 PolarHBondContact O-N 2.86Å; T268-I270 PolarHBondContact OG1-N 2.93Å; T268-I270 PolarHBondContact OG1-O 3.34Å; I270-V273 HydrophobicContact CB-CB 4.26Å; I270-V273 HydrophobicContact CB-CG2 4Å; I270-V273 HydrophobicContact CG2-CB 4.47Å; I270-V273 HydrophobicContact CG2-CG2 3.73Å; I270-V273 WeakPolarHBondContact O-CB 3.35Å; I270-V273 PolarHBondContact O-N 2.92Å; I270-V273 VanDerWaalsContact O-N 3.08Å
271P97.7Very high97.9Very high87 Ų8733.7 Ų33.757%0.56520%0.201SC*.THydrogen-bonded Turntrans-56139174.9-26.635.2000113.3K95 V273 Y304K95-P271 WeakPolarHBondContact CE-O 3.32Å; K95-P271 PolarHBondContact NZ-O 3.35Å; P271-V273 PolarHBondContact O-N 2.82Å; P271-Y304 HydrophobicContact CB-CD2 4.43Å; P271-Y304 HydrophobicContact CB-CE2 3.73Å
272G98.2Very high97.7Very high3 Ų331 Ų313%0.03118%0.184CC..THydrogen-bonded Turntrans72.98-17500000114.4K95 T108 V109K95-G272 VanDerWaalsContact CE-C 3.49Å; K95-G272 VanDerWaalsContact CE-O 3.28Å; K95-G272 WeakPolarHBondContact CE-O 3.21Å; T108-G272 CarbonylContact C-O 3.58Å; T108-G272 VanDerWaalsContact CA-O 3.24Å; T108-G272 WeakPolarHBondContact CA-O 3.39Å; T108-G272 WeakPolarHBondContact CB-O 3.43Å; V109-G272 PolarHBondContact N-O 3.11Å
273V98.8Very high97.3Very high1 Ų137 Ų371%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-116.7127.3172.8-174.50000109.8L90 K95 V109 L111 L252 T268 I270 P271L90-V273 HydrophobicContact CB-CG2 4.23Å; L90-V273 HydrophobicContact CD1-CG1 4.24Å; L90-V273 HydrophobicContact CD2-CG1 4.47Å; L90-V273 HydrophobicContact CD2-CG2 4.15Å; K95-V273 HydrophobicContact CD-CG2 3.72Å; V109-V273 HydrophobicContact CB-CG1 4.49Å; V109-V273 WeakPolarHBondContact O-CA 3.45Å; L111-V273 HydrophobicContact CD1-CG1 4.11Å; L111-V273 HydrophobicContact CG-CG1 4.28Å; L252-V273 HydrophobicContact CD1-CG1 4.35Å; T268-V273 WeakPolarHBondContact CB-O 3.49Å; T268-V273 HydrophobicContact CG2-CG1 4.17Å; T268-V273 WeakPolarHBondContact CG2-O 3.25Å; T268-V273 PolarHBondContact N-O 3.07Å; T268-V273 WeakPolarHBondContact OG1-CB 3.31Å; T268-V273 PolarHBondContact OG1-O 3.11Å; I270-V273 HydrophobicContact CB-CB 4.26Å; I270-V273 HydrophobicContact CB-CG2 4Å; I270-V273 HydrophobicContact CG2-CB 4.47Å; I270-V273 HydrophobicContact CG2-CG2 3.73Å; I270-V273 WeakPolarHBondContact O-CB 3.35Å; I270-V273 PolarHBondContact O-N 2.92Å; I270-V273 VanDerWaalsContact O-N 3.08Å; P271-V273 PolarHBondContact O-N 2.82Å
274Y98.9Very high97.1Very high2 Ų239.5 Ų39.51%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-120.9152.8-177.7-52.1-87000110.2T108 V109 V110 L111 T266 E267 A297 M300 A301 Y304T108-Y274 HydrophobicContact CG2-CE2 4.48Å; V109-Y274 PolarHBondContact O-N 3.04Å; V110-Y274 HydrophobicContact CG2-CD2 4.37Å; L111-Y274 PolarHBondContact N-O 3.25Å; T266-Y274 CarbonylContact O-C 3.41Å; T266-Y274 WeakPolarHBondContact O-CA 3.32Å; E267-Y274 HydrophobicContact CG-CD1 3.98Å; E267-Y274 HydrophobicContact CG-CE1 3.62Å; Y274-A297 HydrophobicContact CG-CB 4.23Å; Y274-M300 HydrophobicContact CD1-CB 4.24Å; Y274-M300 HydrophobicContact CE1-CB 3.53Å; Y274-M300 PolarHBondContact OH-O 2.85Å; Y274-A301 HydrophobicContact CD2-CB 4.29Å; Y274-A301 HydrophobicContact CE2-CB 3.6Å; Y274-A301 VanDerWaalsContact OH-CA 3.29Å; Y274-A301 WeakPolarHBondContact OH-CA 3.27Å; Y274-A301 PolarHBondContact OH-N 2.87Å; Y274-Y304 VanDerWaalsContact OH-CB 3.29Å; Y274-Y304 WeakPolarHBondContact OH-CB 3.46Å
275A98.8Very high96.9Very high0 Ų036.4 Ų36.40%021%0.207CC..EExtended strand (participates in β ladder)trans-125.9130.8173.700000110L111 I260 A262 T266 T268 V279 R280L111-A275 WeakPolarHBondContact O-CA 3.42Å; I260-A275 HydrophobicContact CB-CB 3.97Å; I260-A275 HydrophobicContact CD1-CB 4Å; I260-A275 HydrophobicContact CG2-CB 3.7Å; A262-A275 HydrophobicContact CB-CB 3.96Å; T266-A275 WeakPolarHBondContact CB-O 3.31Å; T266-A275 PolarHBondContact O-N 3.42Å; T268-A275 HydrophobicContact CG2-CB 3.81Å; A275-V279 HydrophobicContact CB-CG1 4.16Å; A275-R280 HydrophobicContact CB-CB 4.09Å; A275-R280 WeakPolarHBondContact O-CD 3.31Å
276V98.7Very high96.7Very high1 Ų136.4 Ų36.41%0.00620%0.203CC..  trans-133.4152.3-173.1-57.40000112V110 L111 A112 T266 V279 D293 A297V110-V276 HydrophobicContact CG1-CB 4.35Å; V110-V276 HydrophobicContact CG1-CG1 3.82Å; V110-V276 HydrophobicContact CG1-CG2 3.56Å; L111-V276 PolarHBondContact O-N 3.08Å; A112-V276 HydrophobicContact CB-CG2 3.48Å; A112-V276 VanDerWaalsContact CB-CG2 3.48Å; T266-V276 HydrophobicContact CG2-CG1 4.3Å; V276-V279 WeakPolarHBondContact O-CG1 3.49Å; V276-D293 HydrophobicContact CB-CB 3.71Å; V276-D293 HydrophobicContact CG1-CB 4.03Å; V276-D293 WeakPolarHBondContact CG1-O 3.43Å; V276-A297 HydrophobicContact CG1-CB 3.48Å; V276-A297 VanDerWaalsContact CG1-CB 3.48Å
277G97.9Very high96.6Very high5 Ų537.4 Ų37.45%0.05221%0.209CC..G310 helixtrans75.6-147.2178.300000112V279 K282 D293G277-V279 PolarHBondContact O-N 3.19Å; G277-K282 WeakPolarHBondContact O-CE 3.29Å; G277-K282 PolarHBondContact O-NZ 3.26Å; G277-D293 WeakPolarHBondContact CA-OD2 3.19Å; G277-D293 PolarHBondContact N-OD2 3.04Å
278D97.3Very high96.5Very high29 Ų2936.6 Ų36.616%0.15521%0.21CC..G310 helixtrans-80.5-4.5-166.6-75.88.5000114.2A115 Y259 R280 K282 R285A115-D278 HydrophobicContact CB-CB 4.28Å; Y259-D278 WeakPolarHBondContact CD1-O 3.35Å; Y259-D278 VanDerWaalsContact CE1-O 3.22Å; Y259-D278 WeakPolarHBondContact CE1-O 3.26Å; D278-R280 VanDerWaalsContact C-N 3.35Å; D278-K282 WeakPolarHBondContact OD1-CE 3.45Å; D278-K282 IonicContact OD1-NZ 2.75Å; D278-K282 PolarHBondContact OD1-NZ 2.85Å; D278-R285 WeakPolarHBondContact OD1-CB 3.36Å
279V98.1Very high96.4Very high0 Ų037.2 Ų37.20%021%0.214CC..G310 helixtrans-75.5-23.3177.674.50000112.8L111 T113 G114 T245 Y259 I260 A275 V276 G277L111-V279 WeakPolarHBondContact O-CG1 3.27Å; T113-V279 VanDerWaalsContact OG1-CG2 3.26Å; T113-V279 WeakPolarHBondContact OG1-CG2 3.41Å; G114-V279 WeakPolarHBondContact O-CA 3.46Å; G114-V279 WeakPolarHBondContact O-CB 3.43Å; G114-V279 PolarHBondContact O-N 3.44Å; T245-V279 HydrophobicContact CG2-CG2 3.45Å; T245-V279 VanDerWaalsContact CG2-CG2 3.45Å; Y259-V279 WeakPolarHBondContact CA-O 3.48Å; I260-V279 HydrophobicContact CD1-CG1 4.24Å; I260-V279 HydrophobicContact CD1-CG2 3.75Å; I260-V279 HydrophobicContact CG1-CG2 4.18Å; I260-V279 PolarHBondContact N-O 2.63Å; A275-V279 HydrophobicContact CB-CG1 4.16Å; V276-V279 WeakPolarHBondContact O-CG1 3.49Å; G277-V279 PolarHBondContact O-N 3.19Å
280R97.9Very high96.4Very high10 Ų1034.4 Ų34.44%0.03819%0.194CC..BIsolated β-bridgetrans-97160.5-175.377.7177.6-165.579.1-4.4113.7Y259 I260 A262 G263 E264 A275 D278 K282 D293Y259-R280 WeakPolarHBondContact CD1-O 3.49Å; I260-R280 CarbonylContact O-C 3.59Å; I260-R280 VanDerWaalsContact O-CA 3.25Å; I260-R280 WeakPolarHBondContact O-CA 3.48Å; A262-R280 HydrophobicContact CB-CB 4.14Å; A262-R280 PolarHBondContact O-NH1 3.09Å; G263-R280 PolarHBondContact O-NH1 2.85Å; E264-R280 IonicContact OE1-NH2 3.47Å; A275-R280 HydrophobicContact CB-CB 4.09Å; A275-R280 WeakPolarHBondContact O-CD 3.31Å; D278-R280 VanDerWaalsContact C-N 3.35Å; R280-K282 HydrophobicContact CG-CD 4.39Å; R280-K282 PolarHBondContact O-N 2.87Å; R280-K282 VanDerWaalsContact O-N 3.13Å; R280-D293 IonicContact CZ-OD1 2.78Å; R280-D293 VanDerWaalsContact CZ-OD1 3.3Å; R280-D293 VanDerWaalsContact NE-CG 3.28Å; R280-D293 IonicContact NE-OD1 3.09Å; R280-D293 PolarHBondContact NE-OD1 2.94Å; R280-D293 IonicContact NE-OD2 2.67Å; R280-D293 PolarHBondContact NE-OD2 3.07Å; R280-D293 IonicContact NH2-OD1 2.63Å; R280-D293 PolarHBondContact NH2-OD1 3.48Å; R280-D293 IonicContact NH2-OD2 3.46Å
281T95.5Very high96.4Very high54 Ų5434.6 Ų34.633%0.33120%0.197SC..  trans-63.8110.3172.9-56.10000110.3D255 I260D255-T281 WeakPolarHBondContact OD2-CB 3.26Å; D255-T281 WeakPolarHBondContact OD2-CG2 3.28Å; D255-T281 PolarHBondContact OD2-OG1 2.85Å; I260-T281 PolarHBondContact O-N 2.71Å; I260-T281 PolarHBondContact O-OG1 2.91Å
282K93.7Very high96.4Very high14 Ų1433 Ų336%0.06119%0.191CC..  trans-152.5154.2175.967.4-177.7-178177.60112.9G277 D278 R280 L284 R285 T289 D293G277-K282 WeakPolarHBondContact O-CE 3.29Å; G277-K282 PolarHBondContact O-NZ 3.26Å; D278-K282 WeakPolarHBondContact OD1-CE 3.45Å; D278-K282 IonicContact OD1-NZ 2.75Å; D278-K282 PolarHBondContact OD1-NZ 2.85Å; R280-K282 HydrophobicContact CG-CD 4.39Å; R280-K282 PolarHBondContact O-N 2.87Å; R280-K282 VanDerWaalsContact O-N 3.13Å; K282-L284 VanDerWaalsContact CD-O 3.31Å; K282-L284 WeakPolarHBondContact CD-O 3.24Å; K282-L284 WeakPolarHBondContact CE-O 3.44Å; K282-R285 HydrophobicContact CG-CG 4.4Å; K282-T289 PolarHBondContact NZ-OG1 2.71Å; K282-D293 IonicContact NZ-OD2 2.82Å; K282-D293 PolarHBondContact NZ-OD2 3.01Å
283P90.4Very high96.4Very high130 Ų13033.3 Ų33.384%0.84419%0.192SC*.SBendtrans-73.4-35.6-179.327.7-34.2000112.8
284L90.7Very high96.4Very high93 Ų9333.3 Ų33.349%0.48719%0.192SC..  trans-123.1124.5-172.8-177.962.9000111.8K282 Q286 T289K282-L284 VanDerWaalsContact CD-O 3.31Å; K282-L284 WeakPolarHBondContact CD-O 3.24Å; K282-L284 WeakPolarHBondContact CE-O 3.44Å; L284-Q286 HydrophobicContact CD1-CG 3.62Å; L284-Q286 HydrophobicContact CD2-CG 4.08Å; L284-Q286 HydrophobicContact CG-CB 4.43Å; L284-Q286 HydrophobicContact CG-CG 3.71Å; L284-T289 HydrophobicContact CB-CG2 4.2Å; L284-T289 HydrophobicContact CD2-CG2 3.74Å; L284-T289 HydrophobicContact CG-CG2 3.95Å; L284-T289 PolarHBondContact O-OG1 3.08Å
285R92.1Very high96.4Very high87 Ų8734.1 Ų34.133%0.32820%0.199SC..  trans-108.895.8179.2-69.1176.9-168.271.85.6109.5Y259 D278 K282Y259-R285 PolarHBondContact OH-NE 3.33Å; Y259-R285 PolarHBondContact OH-NH2 2.89Å; D278-R285 WeakPolarHBondContact OD1-CB 3.36Å; K282-R285 HydrophobicContact CG-CG 4.4Å
286Q93.8Very high96.4Very high56 Ų5636.7 Ų36.726%0.26221%0.214SC..SBendtrans-143.6159.5-178.4-66.5-63.4-55.700109.3N52 L284 V288 T289 A290N52-Q286 PolarHBondContact ND2-OE1 3.2Å; L284-Q286 HydrophobicContact CD1-CG 3.62Å; L284-Q286 HydrophobicContact CD2-CG 4.08Å; L284-Q286 HydrophobicContact CG-CB 4.43Å; L284-Q286 HydrophobicContact CG-CG 3.71Å; Q286-V288 VanDerWaalsContact C-N 3.25Å; Q286-V288 HydrophobicContact CB-CG1 4.02Å; Q286-V288 PolarHBondContact O-N 3.41Å; Q286-T289 HydrophobicContact CB-CG2 4.47Å; Q286-T289 PolarHBondContact N-OG1 2.75Å; Q286-T289 VanDerWaalsContact N-OG1 3.17Å; Q286-T289 PolarHBondContact O-N 3.44Å; Q286-T289 PolarHBondContact O-OG1 2.95Å; Q286-T289 VanDerWaalsContact O-OG1 3.08Å; Q286-A290 PolarHBondContact O-N 3.15Å
287V96.4Very high96.4Very high21 Ų2136.6 Ų36.613%0.12721%0.214CC..Hα-helixtrans-54.3-46.5174.5179.80000110.2P16 M44 Y53 L65 M69 T289 A290 V291P16-V287 HydrophobicContact CB-CG1 3.98Å; P16-V287 HydrophobicContact CG-CG1 4.07Å; M44-V287 HydrophobicContact CB-CG2 4.45Å; M44-V287 HydrophobicContact CG-CG2 3.86Å; M44-V287 HydrophobicContact SD-CB 4.31Å; M44-V287 HydrophobicContact SD-CG1 3.59Å; M44-V287 VanDerWaalsContact SD-CG1 3.59Å; M44-V287 HydrophobicContact SD-CG2 3.67Å; Y53-V287 HydrophobicContact CD2-CB 3.95Å; Y53-V287 HydrophobicContact CD2-CG1 3.57Å; Y53-V287 HydrophobicContact CE2-CB 4.44Å; Y53-V287 HydrophobicContact CE2-CG1 3.7Å; Y53-V287 HydrophobicContact CG-CG1 4.19Å; L65-V287 HydrophobicContact CD2-CG1 4.41Å; M69-V287 HydrophobicContact CE-CG1 4.08Å; V287-T289 VanDerWaalsContact C-N 3.35Å; V287-T289 PolarHBondContact O-N 3.38Å; V287-A290 PolarHBondContact O-N 2.83Å; V287-V291 HydrophobicContact CG1-CG2 4.3Å; V287-V291 VanDerWaalsContact O-CG2 3.28Å; V287-V291 WeakPolarHBondContact O-CG2 3.28Å; V287-V291 PolarHBondContact O-N 3.44Å
288V96.4Very high96.4Very high66 Ų6636.4 Ų36.440%0.421%0.212SC..Hα-helixtrans-61.6-38.4-179.668.50000113.3Y53 Q286 A292Y53-V288 HydrophobicContact CD2-CB 4.19Å; Y53-V288 HydrophobicContact CE2-CB 4.32Å; Q286-V288 VanDerWaalsContact C-N 3.25Å; Q286-V288 HydrophobicContact CB-CG1 4.02Å; Q286-V288 PolarHBondContact O-N 3.41Å; V288-A292 PolarHBondContact O-N 3.25Å
289T96.9Very high96.5Very high32 Ų3240.9 Ų40.920%0.19623%0.232CC..Hα-helixtrans-74-35.417862.60000111.5K282 L284 Q286 V287 A292 D293K282-T289 PolarHBondContact NZ-OG1 2.71Å; L284-T289 HydrophobicContact CB-CG2 4.2Å; L284-T289 HydrophobicContact CD2-CG2 3.74Å; L284-T289 HydrophobicContact CG-CG2 3.95Å; L284-T289 PolarHBondContact O-OG1 3.08Å; Q286-T289 HydrophobicContact CB-CG2 4.47Å; Q286-T289 PolarHBondContact N-OG1 2.75Å; Q286-T289 VanDerWaalsContact N-OG1 3.17Å; Q286-T289 PolarHBondContact O-N 3.44Å; Q286-T289 PolarHBondContact O-OG1 2.95Å; Q286-T289 VanDerWaalsContact O-OG1 3.08Å; V287-T289 VanDerWaalsContact C-N 3.35Å; V287-T289 PolarHBondContact O-N 3.38Å; T289-A292 PolarHBondContact O-N 2.98Å; T289-D293 PolarHBondContact O-N 3.5Å
290A98.1Very high96.5Very high8 Ų842.2 Ų42.27%0.06624%0.238CC..Hα-helixtrans-64.9-40.4173.700000112.5P16 G17 Q286 V287 D293 G294P16-A290 HydrophobicContact CB-CB 4.38Å; G17-A290 WeakPolarHBondContact CA-O 3.5Å; Q286-A290 PolarHBondContact O-N 3.15Å; V287-A290 PolarHBondContact O-N 2.83Å; A290-D293 PolarHBondContact O-N 3.19Å; A290-G294 PolarHBondContact O-N 2.96Å; A290-G294 VanDerWaalsContact O-N 3.11Å
291V98.3Very high96.5Very high27 Ų2741.7 Ų41.716%0.16424%0.236CC..Hα-helixtrans-61.5-47174.3168.60000110.4P16 T20 Y53 M69 V287 D293 G294 A295P16-V291 HydrophobicContact CB-CG2 3.99Å; T20-V291 HydrophobicContact CG2-CG1 3.93Å; T20-V291 VanDerWaalsContact CG2-O 3.25Å; T20-V291 WeakPolarHBondContact CG2-O 3.42Å; Y53-V291 HydrophobicContact CE2-CG2 4.04Å; M69-V291 HydrophobicContact CE-CG2 3.97Å; V287-V291 HydrophobicContact CG1-CG2 4.3Å; V287-V291 VanDerWaalsContact O-CG2 3.28Å; V287-V291 WeakPolarHBondContact O-CG2 3.28Å; V287-V291 PolarHBondContact O-N 3.44Å; V291-D293 PolarHBondContact O-N 3.29Å; V291-G294 PolarHBondContact O-N 2.89Å; V291-A295 PolarHBondContact O-N 3.01Å
292A98Very high96.6Very high54 Ų5443 Ų4345%0.44624%0.239SC..Hα-helixtrans-57.8-47176.100000112V288 T289 G294 A295 V296V288-A292 PolarHBondContact O-N 3.25Å; T289-A292 PolarHBondContact O-N 2.98Å; A292-G294 VanDerWaalsContact C-N 3.27Å; A292-G294 PolarHBondContact O-N 3.32Å; A292-A295 PolarHBondContact O-N 3.36Å; A292-V296 WeakPolarHBondContact O-CG2 3.41Å; A292-V296 PolarHBondContact O-N 2.84Å; A292-V296 VanDerWaalsContact O-N 3.1Å
293D98.6Very high96.8Very high10 Ų1047.9 Ų47.95%0.05326%0.26CS..Hα-helixtrans-55-43.8176.6-64.7-32.9000111.4T266 V276 G277 R280 K282 T289 A290 V291 A295 V296 A297T266-D293 HydrophobicContact CG2-CB 4.18Å; V276-D293 HydrophobicContact CB-CB 3.71Å; V276-D293 HydrophobicContact CG1-CB 4.03Å; V276-D293 WeakPolarHBondContact CG1-O 3.43Å; G277-D293 WeakPolarHBondContact CA-OD2 3.19Å; G277-D293 PolarHBondContact N-OD2 3.04Å; R280-D293 IonicContact CZ-OD1 2.78Å; R280-D293 VanDerWaalsContact CZ-OD1 3.3Å; R280-D293 VanDerWaalsContact NE-CG 3.28Å; R280-D293 IonicContact NE-OD1 3.09Å; R280-D293 PolarHBondContact NE-OD1 2.94Å; R280-D293 IonicContact NE-OD2 2.67Å; R280-D293 PolarHBondContact NE-OD2 3.07Å; R280-D293 IonicContact NH2-OD1 2.63Å; R280-D293 PolarHBondContact NH2-OD1 3.48Å; R280-D293 IonicContact NH2-OD2 3.46Å; K282-D293 IonicContact NZ-OD2 2.82Å; K282-D293 PolarHBondContact NZ-OD2 3.01Å; T289-D293 PolarHBondContact O-N 3.5Å; A290-D293 PolarHBondContact O-N 3.19Å; V291-D293 PolarHBondContact O-N 3.29Å; D293-A295 PolarHBondContact O-N 3.15Å; D293-V296 PolarHBondContact O-N 3.28Å; D293-A297 PolarHBondContact O-N 3.1Å
294G98.7Very high97.1Very high0 Ų044.2 Ų44.20%023%0.229CC..Hα-helixtrans-59.6-43.7179.900000113.3G17 A21 A290 V291 A292 V298G17-G294 WeakPolarHBondContact O-CA 3.18Å; A21-G294 WeakPolarHBondContact CA-O 3.43Å; A290-G294 PolarHBondContact O-N 2.96Å; A290-G294 VanDerWaalsContact O-N 3.11Å; V291-G294 PolarHBondContact O-N 2.89Å; A292-G294 VanDerWaalsContact C-N 3.27Å; A292-G294 PolarHBondContact O-N 3.32Å; G294-V298 PolarHBondContact O-N 3.44Å
295A98.6Very high97.4Very high19 Ų1940.3 Ų40.316%0.15721%0.209CC..Hα-helixtrans-66.4-41.5176.800000112.1T20 Y24 V291 A292 D293 V298 H299T20-A295 HydrophobicContact CG2-CB 4.36Å; Y24-A295 HydrophobicContact CD1-CB 4.03Å; Y24-A295 HydrophobicContact CD2-CB 4.05Å; Y24-A295 HydrophobicContact CE1-CB 3.76Å; Y24-A295 HydrophobicContact CE2-CB 3.77Å; Y24-A295 HydrophobicContact CG-CB 4.17Å; V291-A295 PolarHBondContact O-N 3.01Å; A292-A295 PolarHBondContact O-N 3.36Å; D293-A295 PolarHBondContact O-N 3.15Å; A295-V298 PolarHBondContact O-N 2.85Å; A295-H299 PolarHBondContact O-N 3.03Å
296V98.7Very high97.5Very high54 Ų5439.4 Ų39.433%0.32722%0.22SC..Hα-helixtrans-66.3-40.3179.5178.40000111.7E264 T266 A292 D293 V298 H299 M300E264-V296 WeakPolarHBondContact O-CG1 3.37Å; T266-V296 HydrophobicContact CG2-CB 4.24Å; T266-V296 HydrophobicContact CG2-CG1 4.26Å; A292-V296 WeakPolarHBondContact O-CG2 3.41Å; A292-V296 PolarHBondContact O-N 2.84Å; A292-V296 VanDerWaalsContact O-N 3.1Å; D293-V296 PolarHBondContact O-N 3.28Å; V296-V298 VanDerWaalsContact C-N 3.28Å; V296-V298 PolarHBondContact O-N 3.4Å; V296-H299 WeakPolarHBondContact O-CB 3.4Å; V296-H299 PolarHBondContact O-N 3.47Å; V296-M300 HydrophobicContact CG1-CG 4.36Å; V296-M300 WeakPolarHBondContact O-CG 3.45Å; V296-M300 PolarHBondContact O-N 2.94Å
297A98.7Very high97.5Very high0 Ų043.1 Ų43.10%024%0.237CC..Hα-helixtrans-57.5-41.717700000112.5V110 T266 Y274 V276 D293 M300 A301V110-A297 HydrophobicContact CG2-CB 4.34Å; T266-A297 WeakPolarHBondContact OG1-CA 3.37Å; T266-A297 VanDerWaalsContact OG1-CB 3.31Å; T266-A297 WeakPolarHBondContact OG1-CB 3.29Å; T266-A297 PolarHBondContact OG1-N 3.36Å; Y274-A297 HydrophobicContact CG-CB 4.23Å; V276-A297 HydrophobicContact CG1-CB 3.48Å; V276-A297 VanDerWaalsContact CG1-CB 3.48Å; D293-A297 PolarHBondContact O-N 3.1Å; A297-M300 PolarHBondContact O-N 2.88Å; A297-A301 VanDerWaalsContact O-CB 3.27Å; A297-A301 WeakPolarHBondContact O-CB 3.44Å; A297-A301 PolarHBondContact O-N 2.8Å
298V98.7Very high97.1Very high1 Ų146.7 Ų46.71%0.00626%0.256CS..Hα-helixtrans-67.4-43.6177.11780000111.5M9 A21 A25 G294 A295 V296 M300 A301 E302M9-V298 HydrophobicContact CE-CG2 4.27Å; M9-V298 HydrophobicContact SD-CG2 4.29Å; A21-V298 HydrophobicContact CB-CG2 4.09Å; A21-V298 WeakPolarHBondContact O-CG2 3.29Å; A25-V298 HydrophobicContact CB-CG1 4.2Å; A25-V298 HydrophobicContact CB-CG2 4.04Å; G294-V298 PolarHBondContact O-N 3.44Å; A295-V298 PolarHBondContact O-N 2.85Å; V296-V298 VanDerWaalsContact C-N 3.28Å; V296-V298 PolarHBondContact O-N 3.4Å; V298-M300 PolarHBondContact O-N 2.85Å; V298-A301 CarbonylContact O-C 3.59Å; V298-A301 WeakPolarHBondContact O-CB 3.26Å; V298-A301 PolarHBondContact O-N 2.99Å; V298-E302 HydrophobicContact CG1-CG 4.29Å; V298-E302 WeakPolarHBondContact O-CG 3.45Å; V298-E302 PolarHBondContact O-N 2.97Å
299H98.3Very high96.1Very high123 Ų12356.7 Ų56.757%0.56929%0.286SS*.Hα-helixtrans-55.7-43.2177.3179.164000111.8A295 V296 K303A295-H299 PolarHBondContact O-N 3.03Å; V296-H299 WeakPolarHBondContact O-CB 3.4Å; V296-H299 PolarHBondContact O-N 3.47Å; H299-K303 PolarHBondContact O-N 3.04Å
300M98.5Very high96.1Very high27 Ų2757.9 Ų57.913%0.13329%0.291CS..Hα-helixtrans-72.7-33.6176.9-62.5-56.1-65.100112.5T265 E267 Y274 V296 A297 V298 K303 Y304T265-M300 HydrophobicContact CG2-CE 4.18Å; T265-M300 WeakPolarHBondContact O-CG 3.47Å; E267-M300 HydrophobicContact CG-CE 4.45Å; E267-M300 VanDerWaalsContact OE1-CE 3.27Å; E267-M300 WeakPolarHBondContact OE1-CE 2.94Å; Y274-M300 HydrophobicContact CD1-CB 4.24Å; Y274-M300 HydrophobicContact CE1-CB 3.53Å; Y274-M300 PolarHBondContact OH-O 2.85Å; V296-M300 HydrophobicContact CG1-CG 4.36Å; V296-M300 WeakPolarHBondContact O-CG 3.45Å; V296-M300 PolarHBondContact O-N 2.94Å; A297-M300 PolarHBondContact O-N 2.88Å; V298-M300 PolarHBondContact O-N 2.85Å; M300-K303 PolarHBondContact O-N 3.08Å; M300-Y304 PolarHBondContact O-N 3.2Å
301A98.3Very high96Very high0 Ų060.5 Ų60.50%030%0.303CS..Hα-helixtrans-66.5-39.8174.800000112.8M9 T108 Y274 A297 V298 K303 Y304 I305M9-A301 HydrophobicContact CE-CB 3.35Å; T108-A301 HydrophobicContact CG2-CB 4.42Å; Y274-A301 HydrophobicContact CD2-CB 4.29Å; Y274-A301 HydrophobicContact CE2-CB 3.6Å; Y274-A301 VanDerWaalsContact OH-CA 3.29Å; Y274-A301 WeakPolarHBondContact OH-CA 3.27Å; Y274-A301 PolarHBondContact OH-N 2.87Å; A297-A301 VanDerWaalsContact O-CB 3.27Å; A297-A301 WeakPolarHBondContact O-CB 3.44Å; A297-A301 PolarHBondContact O-N 2.8Å; V298-A301 CarbonylContact O-C 3.59Å; V298-A301 WeakPolarHBondContact O-CB 3.26Å; V298-A301 PolarHBondContact O-N 2.99Å; A301-K303 VanDerWaalsContact C-N 3.31Å; A301-K303 PolarHBondContact O-N 3.12Å; A301-Y304 PolarHBondContact O-N 3.04Å; A301-I305 WeakPolarHBondContact O-CB 3.44Å; A301-I305 VanDerWaalsContact O-CG1 3.29Å; A301-I305 WeakPolarHBondContact O-CG1 3.38Å; A301-I305 PolarHBondContact O-N 3.25Å
302E97.7Very high95.8Very high82 Ų8262.4 Ų62.438%0.38331%0.31SS..Hα-helixtrans-58.3-45.4174.6-74.5-178.795.300111A28 L30 V298 I305 A306A28-E302 HydrophobicContact CB-CG 4.05Å; A28-E302 VanDerWaalsContact CB-OE1 3.28Å; A28-E302 WeakPolarHBondContact CB-OE1 3.41Å; L30-E302 HydrophobicContact CD1-CG 4.38Å; V298-E302 HydrophobicContact CG1-CG 4.29Å; V298-E302 WeakPolarHBondContact O-CG 3.45Å; V298-E302 PolarHBondContact O-N 2.97Å; E302-I305 PolarHBondContact O-N 3.42Å; E302-A306 WeakPolarHBondContact O-CB 3.48Å; E302-A306 PolarHBondContact O-N 2.81Å
303K96.7Very high95.7Very high116 Ų11662.9 Ų62.950%0.50430%0.302SS..Hα-helixtrans-60.1-49.5175.5-177.2-178.8173.4-173.20111.2H299 M300 A301 I305 A306 E307H299-K303 PolarHBondContact O-N 3.04Å; M300-K303 PolarHBondContact O-N 3.08Å; A301-K303 VanDerWaalsContact C-N 3.31Å; A301-K303 PolarHBondContact O-N 3.12Å; K303-I305 PolarHBondContact O-N 2.89Å; K303-A306 PolarHBondContact O-N 3.11Å; K303-E307 WeakPolarHBondContact CE-OE1 3.31Å; K303-E307 WeakPolarHBondContact O-CG 3.35Å; K303-E307 PolarHBondContact O-N 3.21Å
304Y97.6Very high95.5Very high52 Ų5266.2 Ų66.220%0.20432%0.318CS..Hα-helixtrans-58.5-46.4178.1174.8-95.9000112.2T108 P271 Y274 M300 A301 A306 E307 N308T108-Y304 HydrophobicContact CG2-CD1 3.62Å; T108-Y304 HydrophobicContact CG2-CE1 3.98Å; P271-Y304 HydrophobicContact CB-CD2 4.43Å; P271-Y304 HydrophobicContact CB-CE2 3.73Å; Y274-Y304 VanDerWaalsContact OH-CB 3.29Å; Y274-Y304 WeakPolarHBondContact OH-CB 3.46Å; M300-Y304 PolarHBondContact O-N 3.2Å; A301-Y304 PolarHBondContact O-N 3.04Å; Y304-A306 PolarHBondContact O-N 3.31Å; Y304-E307 PolarHBondContact O-N 3.24Å; Y304-N308 WeakPolarHBondContact CE2-ND2 3.45Å; Y304-N308 WeakPolarHBondContact O-CB 3.48Å; Y304-N308 PolarHBondContact O-N 3.01Å; Y304-N308 VanDerWaalsContact O-N 3.11Å; Y304-N308 PolarHBondContact O-ND2 3.12Å
305I96.1Very high95.3Very high11 Ų1170.6 Ų70.66%0.05634%0.339CS..Hα-helixtrans-63.6-42.5179.4-69.7168.3000110.5D8 L30 T108 A301 E302 K303 E307 N308 R309D8-I305 HydrophobicContact CB-CD1 4.34Å; L30-I305 HydrophobicContact CD1-CD1 3.97Å; L30-I305 HydrophobicContact CD2-CD1 3.91Å; T108-I305 HydrophobicContact CG2-CD1 3.95Å; T108-I305 HydrophobicContact CG2-CG1 3.78Å; A301-I305 WeakPolarHBondContact O-CB 3.44Å; A301-I305 VanDerWaalsContact O-CG1 3.29Å; A301-I305 WeakPolarHBondContact O-CG1 3.38Å; A301-I305 PolarHBondContact O-N 3.25Å; E302-I305 PolarHBondContact O-N 3.42Å; K303-I305 PolarHBondContact O-N 2.89Å; I305-E307 VanDerWaalsContact C-N 3.3Å; I305-E307 PolarHBondContact O-N 2.92Å; I305-N308 CarbonylContact O-C 3.28Å; I305-N308 PolarHBondContact O-N 3.32Å; I305-R309 WeakPolarHBondContact O-CG 3.48Å; I305-R309 PolarHBondContact O-N 3.21Å
306A94.5Very high95.1Very high69 Ų6974.3 Ų74.357%0.5735%0.352SS*.Hα-helixtrans-62.6-36.8178.400000112.7E302 K303 Y304 N308E302-A306 WeakPolarHBondContact O-CB 3.48Å; E302-A306 PolarHBondContact O-N 2.81Å; K303-A306 PolarHBondContact O-N 3.11Å; Y304-A306 PolarHBondContact O-N 3.31Å; A306-N308 VanDerWaalsContact C-N 3.35Å
307E94.1Very high94.8Very high133 Ų13375.8 Ų75.862%0.62135%0.354SS*.Hα-helixtrans-76.6-19.1178.2-70.1172.4176.400113.5K303 Y304 I305K303-E307 WeakPolarHBondContact CE-OE1 3.31Å; K303-E307 WeakPolarHBondContact O-CG 3.35Å; K303-E307 PolarHBondContact O-N 3.21Å; Y304-E307 PolarHBondContact O-N 3.24Å; I305-E307 VanDerWaalsContact C-N 3.3Å; I305-E307 PolarHBondContact O-N 2.92Å
308N88.4Confident94.5Very high97 Ų9782.2 Ų82.252%0.51938%0.384SS..THydrogen-bonded Turntrans-12330.1-173.9-64.3-93.2000112.8Y304 I305 A306Y304-N308 WeakPolarHBondContact CE2-ND2 3.45Å; Y304-N308 WeakPolarHBondContact O-CB 3.48Å; Y304-N308 PolarHBondContact O-N 3.01Å; Y304-N308 VanDerWaalsContact O-N 3.11Å; Y304-N308 PolarHBondContact O-ND2 3.12Å; I305-N308 CarbonylContact O-C 3.28Å; I305-N308 PolarHBondContact O-N 3.32Å; A306-N308 VanDerWaalsContact C-N 3.35Å
309R74.8Confident94.1Very high275 Ų27589.5 Ų89.5100%1.03842%0.418SS*.  trans-73.10175.3-99-177-178-173.61.2113.6I305I305-R309 WeakPolarHBondContact O-CG 3.48Å; I305-R309 PolarHBondContact O-N 3.21Å

Retrieved 309 of 309 residues in 311.6 ms (Link to these results)

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