A0A077ZJH5_TRITR Loading...

GFO IDH MocA domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJH5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 334 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
1M36.2Very low73.1Confident220 Ų220111.8 Ų111.8100%1.08453%0.527SS*.  0103.20-78.6-175.2-91.600105.9Y3M1-Y3 PolarHBondContact O-N 3.01Å
2E40.9Very low75.2Confident200 Ų200102.5 Ų102.594%0.93548%0.483SS*.  trans-71.1111.1166.4-85.6-179.4146.600106.4
3Y44.5Very low77Confident200 Ų20094.7 Ų94.778%0.78445%0.446SS*.PPolyproline II helixtrans-60.7135.5164.9-71.6-87.5000107.2M1 R5M1-Y3 PolarHBondContact O-N 3.01Å; Y3-R5 PolarHBondContact O-N 3.35Å
4P51.3Low78.3Confident115 Ų11589.2 Ų89.275%0.74743%0.427SS*.PPolyproline II helixtrans-57.5118.6174.323.1-30.4000107.8V6P4-V6 PolarHBondContact O-N 2.75Å
5R63.9Low79.3Confident185 Ų18585.9 Ų85.970%0.69842%0.415SS*.PPolyproline II helixtrans-58.8121.6175.5-78.3-172.6177.7160-1.2108.1Y3 M7Y3-R5 PolarHBondContact O-N 3.35Å; R5-M7 PolarHBondContact O-N 3.44Å
6V81Confident80.1Confident110 Ų11084.8 Ų84.867%0.66741%0.412SS*.PPolyproline II helixtrans-73.8127.1-179.61790000107.6P4 I8P4-V6 PolarHBondContact O-N 2.75Å; V6-I8 PolarHBondContact O-N 3.43Å
7M94Very high81Confident98 Ų9889.9 Ų89.948%0.48343%0.426SS..PPolyproline II helixtrans-69.8123.7178.1-172.1165.7-66.600109.9R5 R9 K33R5-M7 PolarHBondContact O-N 3.44Å; M7-R9 PolarHBondContact O-N 3.07Å; M7-K33 HydrophobicContact CG-CB 4Å; M7-K33 HydrophobicContact SD-CB 3.76Å
8I97.5Very high81.7Confident6 Ų686.5 Ų86.53%0.03141%0.41CS..EExtended strand (participates in β ladder)trans-70.2115.7-180-60.2173000108.7V6 F10 K31 Y32 K33 D71 A72 A293 V296V6-I8 PolarHBondContact O-N 3.43Å; I8-F10 HydrophobicContact CG2-CB 4.38Å; I8-F10 PolarHBondContact O-N 3.28Å; I8-K31 PolarHBondContact N-O 3.47Å; I8-Y32 HydrophobicContact CB-CD1 3.78Å; I8-Y32 HydrophobicContact CB-CE1 4.1Å; I8-Y32 HydrophobicContact CB-CG 4.48Å; I8-Y32 HydrophobicContact CD1-CD1 4.27Å; I8-Y32 HydrophobicContact CD1-CE1 3.76Å; I8-Y32 HydrophobicContact CG2-CD1 3.92Å; I8-Y32 HydrophobicContact CG2-CE1 4.06Å; I8-Y32 CarbonylContact O-C 3.54Å; I8-Y32 WeakPolarHBondContact O-CA 3.4Å; I8-K33 PolarHBondContact O-N 2.77Å; I8-D71 HydrophobicContact CG2-CB 4.43Å; I8-A72 HydrophobicContact CG2-CB 3.66Å; I8-A293 HydrophobicContact CD1-CB 3.77Å; I8-V296 HydrophobicContact CD1-CB 4.04Å; I8-V296 HydrophobicContact CD1-CG1 4.04Å; I8-V296 HydrophobicContact CD1-CG2 4.43Å; I8-V296 HydrophobicContact CG1-CG1 4.37Å
9R97.8Very high82.5Confident93 Ų9381.9 Ų81.935%0.35139%0.389SS..EExtended strand (participates in β ladder)trans-79.7112.9170.7-54.5173.2-61.5149.99107.1M7 K33 T35 D68 I70 D71 A72M7-R9 PolarHBondContact O-N 3.07Å; R9-K33 WeakPolarHBondContact CA-O 3.42Å; R9-T35 HydrophobicContact CB-CG2 3.8Å; R9-T35 HydrophobicContact CG-CG2 4.12Å; R9-D68 VanDerWaalsContact CZ-O 3.28Å; R9-D68 PolarHBondContact NH1-O 2.73Å; R9-D68 PolarHBondContact NH2-O 3.33Å; R9-I70 CarbonylContact O-C 3.58Å; R9-I70 WeakPolarHBondContact O-CA 3.42Å; R9-D71 WeakPolarHBondContact CB-OD2 3.13Å; R9-D71 WeakPolarHBondContact CG-OD2 3.47Å; R9-D71 IonicContact CZ-OD1 3.91Å; R9-D71 IonicContact CZ-OD2 2.67Å; R9-D71 PolarHBondContact N-OD2 3.06Å; R9-D71 IonicContact NE-OD1 3.86Å; R9-D71 PolarHBondContact NE-OD1 2.96Å; R9-D71 IonicContact NE-OD2 3.85Å; R9-D71 PolarHBondContact NE-OD2 3.17Å; R9-D71 IonicContact NH2-OD1 3.56Å; R9-D71 PolarHBondContact NH2-OD1 3.33Å; R9-D71 IonicContact NH2-OD2 3.05Å; R9-D71 PolarHBondContact O-N 3.02Å; R9-A72 PolarHBondContact O-N 3.3Å
10F98.2Very high83.2Confident3 Ų382.6 Ų82.61%0.01339%0.387CS..EExtended strand (participates in β ladder)trans-118.3150.3-175.680-72.1000113.3I8 V12 F22 V23 A26 Y32 K33 L34 T35 A36 A72I8-F10 HydrophobicContact CG2-CB 4.38Å; I8-F10 PolarHBondContact O-N 3.28Å; F10-V12 HydrophobicContact CD2-CG1 4.09Å; F10-V12 HydrophobicContact CE2-CG1 3.66Å; F10-F22 HydrophobicContact CD2-CE1 4.38Å; F10-F22 HydrophobicContact CE2-CD1 4.19Å; F10-F22 HydrophobicContact CE2-CE1 4.04Å; F10-V23 HydrophobicContact CE2-CG2 4.05Å; F10-V23 HydrophobicContact CZ-CB 4.4Å; F10-V23 HydrophobicContact CZ-CG1 4.3Å; F10-V23 HydrophobicContact CZ-CG2 4.01Å; F10-A26 HydrophobicContact CE1-CB 4.24Å; F10-A26 HydrophobicContact CZ-CB 3.97Å; F10-Y32 AromaticContact CD1-CD1 4Å; F10-Y32 HydrophobicContact CD1-CD1 4Å; F10-Y32 HydrophobicContact CD1-CG 4.35Å; F10-Y32 HydrophobicContact CE1-CD1 4.49Å; F10-Y32 HydrophobicContact CE1-CG 4.47Å; F10-Y32 HydrophobicContact CG-CD1 4.3Å; F10-K33 VanDerWaalsContact CD1-C 3.47Å; F10-K33 WeakPolarHBondContact CD1-O 3.49Å; F10-K33 PolarHBondContact N-O 2.97Å; F10-L34 HydrophobicContact CD1-CB 4.4Å; F10-L34 HydrophobicContact CD2-CD1 4.2Å; F10-L34 VanDerWaalsContact CE1-CA 3.47Å; F10-L34 HydrophobicContact CE1-CB 3.7Å; F10-L34 HydrophobicContact CE1-CD1 4.27Å; F10-L34 VanDerWaalsContact CE1-N 3.32Å; F10-L34 HydrophobicContact CE2-CD1 3.86Å; F10-L34 HydrophobicContact CZ-CB 3.85Å; F10-L34 HydrophobicContact CZ-CD1 3.9Å; F10-L34 HydrophobicContact CZ-CG 4.41Å; F10-L34 WeakPolarHBondContact O-CD1 3.38Å; F10-T35 PolarHBondContact O-N 3.42Å; F10-T35 PolarHBondContact O-OG1 3.05Å; F10-A36 PolarHBondContact O-N 2.72Å; F10-A72 CarbonylContact C-O 3.54Å; F10-A72 WeakPolarHBondContact CA-O 3.33Å; F10-A72 HydrophobicContact CB-CB 4.24Å
11A98.5Very high83.9Confident0 Ų081.8 Ų81.80%038%0.383CS..EExtended strand (participates in β ladder)trans-96.8159.8166.300000111.7A36 M64 I70 A72 V73 Y74A11-A36 VanDerWaalsContact CA-O 3.24Å; A11-A36 WeakPolarHBondContact CA-O 3.48Å; A11-A36 HydrophobicContact CB-CB 3.97Å; A11-M64 HydrophobicContact CB-CE 3.88Å; A11-M64 HydrophobicContact CB-CG 4.42Å; A11-M64 HydrophobicContact CB-SD 3.63Å; A11-I70 HydrophobicContact CB-CB 4.49Å; A11-I70 HydrophobicContact CB-CD1 3.75Å; A11-I70 HydrophobicContact CB-CG2 3.81Å; A11-A72 PolarHBondContact N-O 3Å; A11-V73 HydrophobicContact CB-CB 4.24Å; A11-V73 HydrophobicContact CB-CG2 3.89Å; A11-V73 WeakPolarHBondContact O-CA 3.22Å; A11-Y74 PolarHBondContact O-N 3.45Å
12V98.6Very high86.8Confident0 Ų071.3 Ų71.30%033%0.332CS..EExtended strand (participates in β ladder)trans-121.8142.7163.8-63.10000112.6F10 T19 V23 L34 A36 V37 Y38 F48 Y74F10-V12 HydrophobicContact CD2-CG1 4.09Å; F10-V12 HydrophobicContact CE2-CG1 3.66Å; V12-T19 HydrophobicContact CB-CG2 3.54Å; V12-T19 HydrophobicContact CG1-CG2 3.68Å; V12-T19 HydrophobicContact CG2-CG2 3.88Å; V12-V23 HydrophobicContact CG1-CG2 3.72Å; V12-L34 HydrophobicContact CB-CD1 4.5Å; V12-L34 HydrophobicContact CG1-CD1 3.83Å; V12-L34 HydrophobicContact CG2-CD1 4.13Å; V12-A36 PolarHBondContact N-O 3.25Å; V12-A36 VanDerWaalsContact N-O 3.12Å; V12-V37 HydrophobicContact CG2-CB 4.21Å; V12-V37 HydrophobicContact CG2-CG1 4.16Å; V12-V37 HydrophobicContact CG2-CG2 3.71Å; V12-Y38 PolarHBondContact O-N 3.13Å; V12-F48 HydrophobicContact CG2-CD1 4.41Å; V12-F48 HydrophobicContact CG2-CE1 3.92Å; V12-Y74 CarbonylContact C-O 3.59Å; V12-Y74 WeakPolarHBondContact CA-O 3.32Å; V12-Y74 HydrophobicContact CG1-CD1 4.28Å
13I98.5Very high89.6Confident1 Ų161.8 Ų61.81%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-117.7125.7169.6-59.1175.4000108.6Y38 L61 M64 V73 Y74 I75 A76 Q85 F89I13-Y38 HydrophobicContact CB-CD1 4.43Å; I13-Y38 HydrophobicContact CG1-CD1 4.38Å; I13-Y38 HydrophobicContact CG2-CD1 3.81Å; I13-Y38 HydrophobicContact CG2-CE1 4.25Å; I13-L61 HydrophobicContact CD1-CD2 3.56Å; I13-L61 HydrophobicContact CG1-CD2 4.06Å; I13-L61 HydrophobicContact CG2-CD2 4.34Å; I13-M64 HydrophobicContact CD1-CE 3.95Å; I13-M64 HydrophobicContact CG1-CE 3.62Å; I13-V73 HydrophobicContact CD1-CG2 3.82Å; I13-V73 HydrophobicContact CG1-CG2 3.84Å; I13-Y74 PolarHBondContact N-O 3.44Å; I13-I75 HydrophobicContact CB-CG2 4.5Å; I13-I75 HydrophobicContact CD1-CD1 4.46Å; I13-I75 HydrophobicContact CD1-CG1 4.14Å; I13-A76 CarbonylContact O-C 3.58Å; I13-A76 PolarHBondContact O-N 2.74Å; I13-Q85 HydrophobicContact CD1-CB 4.42Å; I13-F89 HydrophobicContact CD1-CD2 4.12Å; I13-F89 HydrophobicContact CD1-CE2 3.44Å; I13-F89 VanDerWaalsContact CD1-CE2 3.44Å; I13-F89 HydrophobicContact CD1-CZ 4.03Å
14G95.3Very high92.1Very high18 Ų1855.2 Ų55.219%0.18626%0.264CS..  trans93.9126.1-171.600000110T19G14-T19 VanDerWaalsContact O-CB 3.25Å; G14-T19 WeakPolarHBondContact O-CB 3.42Å; G14-T19 WeakPolarHBondContact O-CG2 3.34Å; G14-T19 PolarHBondContact O-OG1 3.28Å
15T93.1Very high94.3Very high40 Ų4049.7 Ų49.725%0.24523%0.228CC..  trans-115.951-172.253.30000110.6V37 F48T15-V37 HydrophobicContact CG2-CG1 3.93Å; T15-F48 HydrophobicContact CG2-CB 3.82Å; T15-F48 HydrophobicContact CG2-CD2 4.24Å; T15-F48 HydrophobicContact CG2-CG 3.96Å
16N92.8Very high95.9Very high67 Ų6740.9 Ų40.936%0.35820%0.195SC..SBendtrans-111-173.7-178.778.59.9000111.5I18 T19 R20N16-I18 PolarHBondContact O-N 3.45Å; N16-I18 WeakPolarHBondContact OD1-CG2 3.47Å; N16-I18 PolarHBondContact OD1-N 2.95Å; N16-T19 PolarHBondContact O-N 3.36Å; N16-T19 PolarHBondContact OD1-N 3.34Å; N16-T19 VanDerWaalsContact OD1-N 3.16Å; N16-T19 PolarHBondContact OD1-OG1 2.97Å; N16-R20 PolarHBondContact O-N 3.01Å; N16-R20 VanDerWaalsContact O-N 3.15Å
17W94.2Very high96.7Very high173 Ų17338.9 Ų38.966%0.65518%0.178SC*.Hα-helixtrans-63.7-34.5-179.175.7-90000114R20 Q21W17-R20 WeakPolarHBondContact O-CB 3.38Å; W17-R20 PolarHBondContact O-N 3.46Å; W17-Q21 HydrophobicContact CE3-CG 3.94Å; W17-Q21 HydrophobicContact CZ3-CG 4.14Å; W17-Q21 WeakPolarHBondContact O-CG 3.48Å; W17-Q21 PolarHBondContact O-N 2.98Å
18I94.1Very high96.8Very high28 Ų2839.3 Ų39.314%0.14418%0.179CC..Hα-helixtrans-70.6-38.5-179.8-168.469.2000110.2N16 R20 Q21 F22 A76 M285N16-I18 PolarHBondContact O-N 3.45Å; N16-I18 WeakPolarHBondContact OD1-CG2 3.47Å; N16-I18 PolarHBondContact OD1-N 2.95Å; I18-R20 VanDerWaalsContact C-N 3.3Å; I18-R20 PolarHBondContact O-N 3.08Å; I18-Q21 PolarHBondContact O-N 3.37Å; I18-F22 PolarHBondContact O-N 2.77Å; I18-A76 HydrophobicContact CG2-CB 4.02Å; I18-M285 HydrophobicContact CD1-CE 3.51Å; I18-M285 HydrophobicContact CD1-SD 3.54Å; I18-M285 VanDerWaalsContact CD1-SD 3.54Å; I18-M285 HydrophobicContact CG1-CE 3.73Å; I18-M285 HydrophobicContact CG1-SD 4.2Å
19T97Very high96.7Very high0 Ų040 Ų400%018%0.184CC..Hα-helixtrans-58.8-43.5171.3-47.10000111.5V12 G14 N16 Q21 F22 V23 F48 Y74V12-T19 HydrophobicContact CB-CG2 3.54Å; V12-T19 HydrophobicContact CG1-CG2 3.68Å; V12-T19 HydrophobicContact CG2-CG2 3.88Å; G14-T19 VanDerWaalsContact O-CB 3.25Å; G14-T19 WeakPolarHBondContact O-CB 3.42Å; G14-T19 WeakPolarHBondContact O-CG2 3.34Å; G14-T19 PolarHBondContact O-OG1 3.28Å; N16-T19 PolarHBondContact O-N 3.36Å; N16-T19 PolarHBondContact OD1-N 3.34Å; N16-T19 VanDerWaalsContact OD1-N 3.16Å; N16-T19 PolarHBondContact OD1-OG1 2.97Å; T19-Q21 VanDerWaalsContact C-N 3.35Å; T19-Q21 PolarHBondContact O-N 3.38Å; T19-F22 PolarHBondContact O-N 3.17Å; T19-V23 HydrophobicContact CG2-CG2 4.43Å; T19-V23 VanDerWaalsContact O-CG2 3.3Å; T19-V23 WeakPolarHBondContact O-CG2 3.41Å; T19-V23 PolarHBondContact O-N 3.42Å; T19-F48 HydrophobicContact CG2-CE1 4.18Å; T19-F48 HydrophobicContact CG2-CE2 4.06Å; T19-F48 HydrophobicContact CG2-CZ 3.5Å; T19-Y74 HydrophobicContact CG2-CD1 4.19Å; T19-Y74 HydrophobicContact CG2-CE1 4.25Å
20R96.9Very high96.7Very high94 Ų9438 Ų3836%0.35519%0.193SC..Hα-helixtrans-58.7-47.6176.9-167-164.5179.296.86.2111.3N16 W17 I18 F22 V23 E24 F48 D51 F52N16-R20 PolarHBondContact O-N 3.01Å; N16-R20 VanDerWaalsContact O-N 3.15Å; W17-R20 WeakPolarHBondContact O-CB 3.38Å; W17-R20 PolarHBondContact O-N 3.46Å; I18-R20 VanDerWaalsContact C-N 3.3Å; I18-R20 PolarHBondContact O-N 3.08Å; R20-F22 VanDerWaalsContact C-N 3.33Å; R20-F22 PolarHBondContact O-N 2.9Å; R20-V23 PolarHBondContact O-N 3.38Å; R20-E24 IonicContact CZ-OE1 2.8Å; R20-E24 IonicContact NE-OE1 3.45Å; R20-E24 PolarHBondContact NE-OE1 2.88Å; R20-E24 IonicContact NH2-OE1 3.56Å; R20-E24 WeakPolarHBondContact O-CG 3.46Å; R20-E24 PolarHBondContact O-N 3.22Å; R20-F48 HydrophobicContact CB-CE2 4.21Å; R20-F48 HydrophobicContact CB-CZ 4.5Å; R20-D51 IonicContact CZ-OD2 2.97Å; R20-D51 IonicContact NH1-OD2 3.2Å; R20-D51 PolarHBondContact NH1-OD2 3.29Å; R20-D51 IonicContact NH2-OD2 2.95Å; R20-D51 PolarHBondContact NH2-OD2 3.17Å; R20-F52 HydrophobicContact CG-CE2 4.19Å; R20-F52 HydrophobicContact CG-CZ 3.76Å
21Q97.3Very high96.6Very high66 Ų6639.1 Ų39.131%0.30820%0.198SC..Hα-helixtrans-61.3-40.3178.8-69.2-71.7-7900112.2W17 I18 T19 E24 A25 N283 M285W17-Q21 HydrophobicContact CE3-CG 3.94Å; W17-Q21 HydrophobicContact CZ3-CG 4.14Å; W17-Q21 WeakPolarHBondContact O-CG 3.48Å; W17-Q21 PolarHBondContact O-N 2.98Å; I18-Q21 PolarHBondContact O-N 3.37Å; T19-Q21 VanDerWaalsContact C-N 3.35Å; T19-Q21 PolarHBondContact O-N 3.38Å; Q21-E24 PolarHBondContact NE2-OE2 3.28Å; Q21-A25 WeakPolarHBondContact O-CB 3.4Å; Q21-A25 PolarHBondContact O-N 3.1Å; Q21-N283 PolarHBondContact O-ND2 3.5Å; Q21-M285 HydrophobicContact CB-SD 3.78Å
22F98.2Very high96.6Very high0 Ų039.6 Ų39.60%020%0.199CC..Hα-helixtrans-65.3-44.8175.3-176-93000112F10 I18 T19 R20 E24 A25 A26 Y74 I97 M285 A289F10-F22 HydrophobicContact CD2-CE1 4.38Å; F10-F22 HydrophobicContact CE2-CD1 4.19Å; F10-F22 HydrophobicContact CE2-CE1 4.04Å; I18-F22 PolarHBondContact O-N 2.77Å; T19-F22 PolarHBondContact O-N 3.17Å; R20-F22 VanDerWaalsContact C-N 3.33Å; R20-F22 PolarHBondContact O-N 2.9Å; F22-E24 VanDerWaalsContact C-N 3.34Å; F22-E24 PolarHBondContact O-N 3.31Å; F22-A25 WeakPolarHBondContact O-CB 3.41Å; F22-A25 PolarHBondContact O-N 3.46Å; F22-A26 HydrophobicContact CE1-CB 4.19Å; F22-A26 VanDerWaalsContact O-CB 3.26Å; F22-A26 WeakPolarHBondContact O-CB 3.35Å; F22-A26 PolarHBondContact O-N 2.88Å; F22-Y74 HydrophobicContact CB-CD1 4.21Å; F22-Y74 HydrophobicContact CB-CD2 4.32Å; F22-Y74 HydrophobicContact CB-CE1 3.79Å; F22-Y74 HydrophobicContact CB-CE2 3.95Å; F22-Y74 HydrophobicContact CB-CG 4.46Å; F22-Y74 AromaticContact CD1-CD1 3.83Å; F22-Y74 HydrophobicContact CD1-CD1 3.83Å; F22-Y74 AromaticContact CD1-CD2 3.51Å; F22-Y74 HydrophobicContact CD1-CD2 3.51Å; F22-Y74 HydrophobicContact CD1-CE1 4.26Å; F22-Y74 HydrophobicContact CD1-CE2 4Å; F22-Y74 AromaticContact CD1-CG 3.42Å; F22-Y74 HydrophobicContact CD1-CG 3.42Å; F22-Y74 VanDerWaalsContact CD1-CG 3.42Å; F22-Y74 AromaticContact CD2-CD2 3.7Å; F22-Y74 HydrophobicContact CD2-CD2 3.7Å; F22-Y74 AromaticContact CD2-CE2 3.53Å; F22-Y74 HydrophobicContact CD2-CE2 3.53Å; F22-Y74 HydrophobicContact CD2-CG 4.44Å; F22-Y74 AromaticContact CE1-CD2 3.65Å; F22-Y74 HydrophobicContact CE1-CD2 3.65Å; F22-Y74 HydrophobicContact CE1-CE2 4.45Å; F22-Y74 AromaticContact CE1-CG 3.71Å; F22-Y74 HydrophobicContact CE1-CG 3.71Å; F22-Y74 AromaticContact CE2-CD2 3.83Å; F22-Y74 HydrophobicContact CE2-CD2 3.83Å; F22-Y74 HydrophobicContact CE2-CE2 4.03Å; F22-Y74 HydrophobicContact CG-CD1 4.08Å; F22-Y74 AromaticContact CG-CD2 3.53Å; F22-Y74 HydrophobicContact CG-CD2 3.53Å; F22-Y74 HydrophobicContact CG-CE1 4.03Å; F22-Y74 AromaticContact CG-CE2 3.52Å; F22-Y74 HydrophobicContact CG-CE2 3.52Å; F22-Y74 AromaticContact CG-CG 3.84Å; F22-Y74 HydrophobicContact CG-CG 3.84Å; F22-Y74 AromaticContact CG-CZ 3.76Å; F22-Y74 AromaticContact CZ-CD2 3.81Å; F22-Y74 HydrophobicContact CZ-CD2 3.81Å; F22-Y74 HydrophobicContact CZ-CE2 4.47Å; F22-Y74 HydrophobicContact CZ-CG 4.33Å; F22-I97 HydrophobicContact CE1-CG2 4.48Å; F22-I97 HydrophobicContact CE2-CD1 3.58Å; F22-I97 HydrophobicContact CZ-CD1 3.83Å; F22-I97 HydrophobicContact CZ-CG2 4.06Å; F22-M285 HydrophobicContact CB-CE 4.21Å; F22-M285 HydrophobicContact CB-SD 4.19Å; F22-M285 HydrophobicContact CD2-CE 4.33Å; F22-A289 HydrophobicContact CE2-CB 4.04Å; F22-A289 HydrophobicContact CZ-CB 4.27Å
23V98Very high96.5Very high0 Ų043.7 Ų43.70%022%0.217CC..Hα-helixtrans-60.2-45.1177.9173.90000111.1F10 V12 T19 R20 A25 A26 H27 L34 F48 F52F10-V23 HydrophobicContact CE2-CG2 4.05Å; F10-V23 HydrophobicContact CZ-CB 4.4Å; F10-V23 HydrophobicContact CZ-CG1 4.3Å; F10-V23 HydrophobicContact CZ-CG2 4.01Å; V12-V23 HydrophobicContact CG1-CG2 3.72Å; T19-V23 HydrophobicContact CG2-CG2 4.43Å; T19-V23 VanDerWaalsContact O-CG2 3.3Å; T19-V23 WeakPolarHBondContact O-CG2 3.41Å; T19-V23 PolarHBondContact O-N 3.42Å; R20-V23 PolarHBondContact O-N 3.38Å; V23-A25 PolarHBondContact O-N 2.95Å; V23-A26 PolarHBondContact O-N 3.5Å; V23-H27 PolarHBondContact O-N 3.45Å; V23-L34 HydrophobicContact CG1-CB 4.4Å; V23-L34 HydrophobicContact CG1-CD2 3.81Å; V23-L34 HydrophobicContact CG2-CD2 4.03Å; V23-F48 HydrophobicContact CG2-CE1 4.3Å; V23-F48 HydrophobicContact CG2-CZ 4.25Å; V23-F52 HydrophobicContact CB-CE1 4.13Å; V23-F52 HydrophobicContact CB-CE2 4.41Å; V23-F52 HydrophobicContact CB-CZ 4.03Å; V23-F52 HydrophobicContact CG1-CD1 3.45Å; V23-F52 VanDerWaalsContact CG1-CD1 3.45Å; V23-F52 HydrophobicContact CG1-CD2 4.12Å; V23-F52 HydrophobicContact CG1-CE1 3.41Å; V23-F52 VanDerWaalsContact CG1-CE1 3.41Å; V23-F52 HydrophobicContact CG1-CE2 4.09Å; V23-F52 HydrophobicContact CG1-CG 3.81Å; V23-F52 HydrophobicContact CG1-CZ 3.73Å
24E97.5Very high96.5Very high62 Ų6243.8 Ų43.829%0.2922%0.218SC..Hα-helixtrans-59.4-46.4176.3-71.9167.6173.200111.1R20 Q21 F22 A26 H27 E28 F52R20-E24 IonicContact CZ-OE1 2.8Å; R20-E24 IonicContact NE-OE1 3.45Å; R20-E24 PolarHBondContact NE-OE1 2.88Å; R20-E24 IonicContact NH2-OE1 3.56Å; R20-E24 WeakPolarHBondContact O-CG 3.46Å; R20-E24 PolarHBondContact O-N 3.22Å; Q21-E24 PolarHBondContact NE2-OE2 3.28Å; F22-E24 VanDerWaalsContact C-N 3.34Å; F22-E24 PolarHBondContact O-N 3.31Å; E24-A26 PolarHBondContact O-N 2.97Å; E24-H27 PolarHBondContact O-N 3.3Å; E24-E28 WeakPolarHBondContact O-CB 3.38Å; E24-E28 PolarHBondContact O-N 3.14Å; E24-F52 HydrophobicContact CG-CE1 4.12Å; E24-F52 HydrophobicContact CG-CZ 4.29Å
25A97.8Very high96.6Very high0 Ų043.3 Ų43.30%021%0.211CC..Hα-helixtrans-62-4217600000112.9Q21 F22 V23 E28 S29 N283 M285 L286Q21-A25 WeakPolarHBondContact O-CB 3.4Å; Q21-A25 PolarHBondContact O-N 3.1Å; F22-A25 WeakPolarHBondContact O-CB 3.41Å; F22-A25 PolarHBondContact O-N 3.46Å; V23-A25 PolarHBondContact O-N 2.95Å; A25-E28 PolarHBondContact O-N 3.49Å; A25-S29 PolarHBondContact O-N 3.34Å; A25-N283 PolarHBondContact N-ND2 2.95Å; A25-M285 HydrophobicContact CB-CB 3.9Å; A25-L286 HydrophobicContact CB-CB 4.43Å; A25-L286 WeakPolarHBondContact O-CD1 3.46Å
26A97.7Very high96.8Very high0 Ų041.4 Ų41.40%020%0.199CC..Hα-helixtrans-66.3-40.9179.800000111.7F10 F22 V23 E24 S29 Y32F10-A26 HydrophobicContact CE1-CB 4.24Å; F10-A26 HydrophobicContact CZ-CB 3.97Å; F22-A26 HydrophobicContact CE1-CB 4.19Å; F22-A26 VanDerWaalsContact O-CB 3.26Å; F22-A26 WeakPolarHBondContact O-CB 3.35Å; F22-A26 PolarHBondContact O-N 2.88Å; V23-A26 PolarHBondContact O-N 3.5Å; E24-A26 PolarHBondContact O-N 2.97Å; A26-S29 PolarHBondContact O-OG 3.33Å; A26-Y32 HydrophobicContact CB-CD1 4.38Å; A26-Y32 HydrophobicContact CB-CD2 3.73Å; A26-Y32 HydrophobicContact CB-CE2 4.36Å; A26-Y32 HydrophobicContact CB-CG 3.74Å; A26-Y32 VanDerWaalsContact O-CD2 3.32Å; A26-Y32 WeakPolarHBondContact O-CD2 3.43Å
27H96.9Very high97.1Very high68 Ų6838.2 Ų38.232%0.31518%0.182SC..Hα-helixtrans-66.8-43174.1-70.7176.1000111.7V23 E24 S29 G30 F52V23-H27 PolarHBondContact O-N 3.45Å; E24-H27 PolarHBondContact O-N 3.3Å; H27-S29 VanDerWaalsContact C-N 3.25Å; H27-S29 PolarHBondContact O-N 2.98Å; H27-G30 PolarHBondContact O-N 3.41Å; H27-F52 AromaticContact CE1-CD1 3.77Å
28E96.7Very high97.3Very high106 Ų10631.6 Ų31.650%0.49516%0.157SC..Hα-helixtrans-62.7-32.3179.1-176.7166.3-158.100112.8E24 A25 G30 H281E24-E28 WeakPolarHBondContact O-CB 3.38Å; E24-E28 PolarHBondContact O-N 3.14Å; A25-E28 PolarHBondContact O-N 3.49Å; E28-G30 PolarHBondContact O-N 3.28Å; E28-G30 VanDerWaalsContact O-N 3.16Å; E28-H281 IonicContact OE1-CE1 3.55Å; E28-H281 PolarHBondContact OE1-CE1 2.97Å; E28-H281 IonicContact OE1-NE2 3.69Å; E28-H281 PolarHBondContact OE1-NE2 3.17Å; E28-H281 IonicContact OE2-CE1 3.01Å; E28-H281 PolarHBondContact OE2-CE1 3.41Å; E28-H281 IonicContact OE2-ND1 3.62Å; E28-H281 IonicContact OE2-NE2 2.64Å
29S96.2Very high97.4Very high20 Ų2030.5 Ų30.514%0.1415%0.153CC..THydrogen-bonded Turntrans-65-16.7174.51010000113.2A25 A26 H27 K31 Y32A25-S29 PolarHBondContact O-N 3.34Å; A26-S29 PolarHBondContact O-OG 3.33Å; H27-S29 VanDerWaalsContact C-N 3.25Å; H27-S29 PolarHBondContact O-N 2.98Å; S29-K31 PolarHBondContact O-N 2.77Å; S29-K31 WeakPolarHBondContact OG-CB 3.25Å; S29-K31 PolarHBondContact OG-N 3.04Å; S29-Y32 WeakPolarHBondContact OG-CD2 3.45Å
30G96.3Very high97.3Very high52 Ų5240.2 Ų40.254%0.53619%0.189SC..THydrogen-bonded Turntrans67.611.1-17600000114.9H27 E28H27-G30 PolarHBondContact O-N 3.41Å; E28-G30 PolarHBondContact O-N 3.28Å; E28-G30 VanDerWaalsContact O-N 3.16Å
31K97Very high97.3Very high27 Ų2737.5 Ų37.512%0.11718%0.184CC..SBendtrans-105.8-8.9-176.1-57.8-176.4-172.9-176.80113.7I8 S29 E290 A293 T294I8-K31 PolarHBondContact N-O 3.47Å; S29-K31 PolarHBondContact O-N 2.77Å; S29-K31 WeakPolarHBondContact OG-CB 3.25Å; S29-K31 PolarHBondContact OG-N 3.04Å; K31-E290 PolarHBondContact NZ-O 3.15Å; K31-E290 VanDerWaalsContact NZ-O 3.07Å; K31-A293 HydrophobicContact CB-CB 3.97Å; K31-A293 HydrophobicContact CD-CB 3.3Å; K31-A293 HydrophobicContact CG-CB 4.29Å; K31-T294 PolarHBondContact NZ-OG1 3.23Å
32Y97.7Very high97.2Very high9 Ų939.2 Ų39.24%0.03520%0.195CC..EExtended strand (participates in β ladder)trans-127.7148.3-171.7-61.8-96.4000112.7I8 F10 A26 S29 A289 F292 A293I8-Y32 HydrophobicContact CB-CD1 3.78Å; I8-Y32 HydrophobicContact CB-CE1 4.1Å; I8-Y32 HydrophobicContact CB-CG 4.48Å; I8-Y32 HydrophobicContact CD1-CD1 4.27Å; I8-Y32 HydrophobicContact CD1-CE1 3.76Å; I8-Y32 HydrophobicContact CG2-CD1 3.92Å; I8-Y32 HydrophobicContact CG2-CE1 4.06Å; I8-Y32 CarbonylContact O-C 3.54Å; I8-Y32 WeakPolarHBondContact O-CA 3.4Å; F10-Y32 AromaticContact CD1-CD1 4Å; F10-Y32 HydrophobicContact CD1-CD1 4Å; F10-Y32 HydrophobicContact CD1-CG 4.35Å; F10-Y32 HydrophobicContact CE1-CD1 4.49Å; F10-Y32 HydrophobicContact CE1-CG 4.47Å; F10-Y32 HydrophobicContact CG-CD1 4.3Å; A26-Y32 HydrophobicContact CB-CD1 4.38Å; A26-Y32 HydrophobicContact CB-CD2 3.73Å; A26-Y32 HydrophobicContact CB-CE2 4.36Å; A26-Y32 HydrophobicContact CB-CG 3.74Å; A26-Y32 VanDerWaalsContact O-CD2 3.32Å; A26-Y32 WeakPolarHBondContact O-CD2 3.43Å; S29-Y32 WeakPolarHBondContact OG-CD2 3.45Å; Y32-A289 HydrophobicContact CE2-CB 4.05Å; Y32-A289 WeakPolarHBondContact CE2-O 3.36Å; Y32-A289 PolarHBondContact OH-O 2.87Å; Y32-F292 HydrophobicContact CE1-CD1 4.12Å; Y32-F292 VanDerWaalsContact OH-CD1 3.3Å; Y32-F292 WeakPolarHBondContact OH-CD1 3.48Å; Y32-A293 HydrophobicContact CE2-CB 3.84Å; Y32-A293 WeakPolarHBondContact OH-CB 3.47Å; Y32-A293 PolarHBondContact OH-N 2.87Å
33K97Very high97.1Very high87 Ų8746.8 Ų46.838%0.37823%0.231SC..EExtended strand (participates in β ladder)trans-125.6123.7164-176.9-178.9175.2-165.30109.1M7 I8 R9 F10 T35 E55M7-K33 HydrophobicContact CG-CB 4Å; M7-K33 HydrophobicContact SD-CB 3.76Å; I8-K33 PolarHBondContact O-N 2.77Å; R9-K33 WeakPolarHBondContact CA-O 3.42Å; F10-K33 VanDerWaalsContact CD1-C 3.47Å; F10-K33 WeakPolarHBondContact CD1-O 3.49Å; F10-K33 PolarHBondContact N-O 2.97Å; K33-T35 HydrophobicContact CB-CG2 4.49Å; K33-T35 HydrophobicContact CD-CG2 4.12Å; K33-T35 HydrophobicContact CG-CG2 4.05Å; K33-T35 PolarHBondContact O-N 3.49Å; K33-E55 IonicContact NZ-OE1 3.38Å; K33-E55 PolarHBondContact NZ-OE1 2.95Å
34L98Very high96.9Very high3 Ų350.9 Ų50.92%0.01625%0.25CC..EExtended strand (participates in β ladder)trans-73.4113.4173.3-18063.2000108.1F10 V12 V23 A36 V37 F48 F52 V54F10-L34 HydrophobicContact CD1-CB 4.4Å; F10-L34 HydrophobicContact CD2-CD1 4.2Å; F10-L34 VanDerWaalsContact CE1-CA 3.47Å; F10-L34 HydrophobicContact CE1-CB 3.7Å; F10-L34 HydrophobicContact CE1-CD1 4.27Å; F10-L34 VanDerWaalsContact CE1-N 3.32Å; F10-L34 HydrophobicContact CE2-CD1 3.86Å; F10-L34 HydrophobicContact CZ-CB 3.85Å; F10-L34 HydrophobicContact CZ-CD1 3.9Å; F10-L34 HydrophobicContact CZ-CG 4.41Å; F10-L34 WeakPolarHBondContact O-CD1 3.38Å; V12-L34 HydrophobicContact CB-CD1 4.5Å; V12-L34 HydrophobicContact CG1-CD1 3.83Å; V12-L34 HydrophobicContact CG2-CD1 4.13Å; V23-L34 HydrophobicContact CG1-CB 4.4Å; V23-L34 HydrophobicContact CG1-CD2 3.81Å; V23-L34 HydrophobicContact CG2-CD2 4.03Å; L34-A36 WeakPolarHBondContact CD1-O 3.45Å; L34-V37 HydrophobicContact CD2-CG2 4.2Å; L34-F48 HydrophobicContact CD2-CE1 4.44Å; L34-F52 HydrophobicContact CD2-CB 3.79Å; L34-F52 HydrophobicContact CD2-CD2 4.16Å; L34-F52 HydrophobicContact CD2-CG 4.07Å; L34-V54 HydrophobicContact CD2-CG2 3.47Å; L34-V54 VanDerWaalsContact CD2-CG2 3.47Å; L34-V54 HydrophobicContact CG-CG1 4.39Å; L34-V54 HydrophobicContact CG-CG2 3.7Å
35T98Very high96.8Very high7 Ų747.9 Ų47.94%0.04324%0.236CC..EExtended strand (participates in β ladder)trans-111.5-23.1-177.753.50000112.9R9 F10 K33 V54 H56 A69R9-T35 HydrophobicContact CB-CG2 3.8Å; R9-T35 HydrophobicContact CG-CG2 4.12Å; F10-T35 PolarHBondContact O-N 3.42Å; F10-T35 PolarHBondContact O-OG1 3.05Å; K33-T35 HydrophobicContact CB-CG2 4.49Å; K33-T35 HydrophobicContact CD-CG2 4.12Å; K33-T35 HydrophobicContact CG-CG2 4.05Å; K33-T35 PolarHBondContact O-N 3.49Å; T35-V54 VanDerWaalsContact O-CG1 3.24Å; T35-V54 WeakPolarHBondContact O-CG1 3.3Å; T35-H56 WeakPolarHBondContact O-CB 3.17Å; T35-H56 PolarHBondContact O-CD2 3.37Å; T35-H56 PolarHBondContact O-N 2.83Å; T35-A69 PolarHBondContact OG1-O 2.86Å
36A98.3Very high96.7Very high0 Ų052.1 Ų52.10%026%0.256CS..EExtended strand (participates in β ladder)trans-139145.6-178.800000113.9F10 A11 V12 L34 H56 F58 M64 I70F10-A36 PolarHBondContact O-N 2.72Å; A11-A36 VanDerWaalsContact CA-O 3.24Å; A11-A36 WeakPolarHBondContact CA-O 3.48Å; A11-A36 HydrophobicContact CB-CB 3.97Å; V12-A36 PolarHBondContact N-O 3.25Å; V12-A36 VanDerWaalsContact N-O 3.12Å; L34-A36 WeakPolarHBondContact CD1-O 3.45Å; A36-H56 CarbonylContact C-O 3.58Å; A36-H56 VanDerWaalsContact CA-O 3.25Å; A36-H56 WeakPolarHBondContact CA-O 3.23Å; A36-H56 HydrophobicContact CB-CB 4.1Å; A36-F58 HydrophobicContact CB-CD2 4.02Å; A36-F58 HydrophobicContact CB-CE2 3.78Å; A36-M64 HydrophobicContact CB-SD 4.22Å; A36-I70 HydrophobicContact CB-CG2 3.76Å
37V98.4Very high96.6Very high0 Ų058.8 Ų58.80%029%0.287CS..EExtended strand (participates in β ladder)trans-128.1128.2171.4172.60000108.8V12 T15 L34 A45 F48 A49 V54 H56 L57 F58V12-V37 HydrophobicContact CG2-CB 4.21Å; V12-V37 HydrophobicContact CG2-CG1 4.16Å; V12-V37 HydrophobicContact CG2-CG2 3.71Å; T15-V37 HydrophobicContact CG2-CG1 3.93Å; L34-V37 HydrophobicContact CD2-CG2 4.2Å; V37-A45 HydrophobicContact CG1-CB 3.99Å; V37-F48 HydrophobicContact CG1-CD1 4.19Å; V37-F48 HydrophobicContact CG2-CD1 3.93Å; V37-F48 HydrophobicContact CG2-CE1 4.4Å; V37-A49 HydrophobicContact CG2-CB 4.35Å; V37-V54 HydrophobicContact CG2-CB 4.36Å; V37-V54 HydrophobicContact CG2-CG1 4.01Å; V37-V54 HydrophobicContact CG2-CG2 3.95Å; V37-H56 PolarHBondContact N-O 3.2Å; V37-L57 HydrophobicContact CB-CD2 4.07Å; V37-F58 PolarHBondContact O-N 2.79Å
38Y98.5Very high96.5Very high34 Ų3456.4 Ų56.413%0.13328%0.275CS..EExtended strand (participates in β ladder)trans-98.3136166.1168.4-89.2000111.1V12 I13 F58 T59 L61V12-Y38 PolarHBondContact O-N 3.13Å; I13-Y38 HydrophobicContact CB-CD1 4.43Å; I13-Y38 HydrophobicContact CG1-CD1 4.38Å; I13-Y38 HydrophobicContact CG2-CD1 3.81Å; I13-Y38 HydrophobicContact CG2-CE1 4.25Å; Y38-F58 WeakPolarHBondContact CA-O 3.44Å; Y38-F58 HydrophobicContact CD2-CB 4.42Å; Y38-T59 WeakPolarHBondContact CE2-O 3.25Å; Y38-L61 HydrophobicContact CD1-CD2 3.72Å; Y38-L61 HydrophobicContact CD2-CD2 3.72Å; Y38-L61 HydrophobicContact CD2-CG 4.06Å; Y38-L61 HydrophobicContact CE1-CD2 3.78Å; Y38-L61 HydrophobicContact CE1-CG 4.18Å; Y38-L61 HydrophobicContact CE2-CD2 3.78Å; Y38-L61 HydrophobicContact CE2-CG 3.65Å; Y38-L61 HydrophobicContact CG-CD2 3.68Å; Y38-L61 HydrophobicContact CG-CG 4.47Å
39S96.9Very high96.4Very high6 Ų651.5 Ų51.54%0.04225%0.253CS..  trans-145.5162.6160-167.80000111.2S41 Q44 F58 T59S39-S41 PolarHBondContact O-N 3.22Å; S39-Q44 VanDerWaalsContact OG-CB 3.3Å; S39-Q44 WeakPolarHBondContact OG-CB 3.46Å; S39-Q44 PolarHBondContact OG-OE1 3.35Å; S39-F58 PolarHBondContact N-O 3.33Å; S39-F58 VanDerWaalsContact N-O 3.13Å; S39-T59 WeakPolarHBondContact O-CA 3.46Å
40R94.6Very high96.2Very high203 Ų20355.4 Ų55.477%0.76627%0.272SS*.SBendtrans-64.2-22.6177.4-67.2173.1-65.1171.42.2112.7
41S95.6Very high95.9Very high37 Ų3757.2 Ų57.226%0.25927%0.27SS..SBendtrans-128.2143.2170.473.20000110.5S39 E43 Q44 A45S39-S41 PolarHBondContact O-N 3.22Å; S41-E43 PolarHBondContact O-N 3.37Å; S41-Q44 PolarHBondContact O-N 3.45Å; S41-Q44 WeakPolarHBondContact OG-CB 3.39Å; S41-Q44 WeakPolarHBondContact OG-CG 3.45Å; S41-Q44 PolarHBondContact OG-N 3.08Å; S41-A45 PolarHBondContact O-N 3.13Å; S41-A45 VanDerWaalsContact O-N 3.11Å
42L95.4Very high95.7Very high103 Ų10357.3 Ų57.354%0.53927%0.27SS..Hα-helixtrans-59.1-36.3177.2-175.863.5000111.4A45 Q46 L57 T59L42-A45 PolarHBondContact O-N 2.84Å; L42-Q46 WeakPolarHBondContact O-CB 3.48Å; L42-Q46 PolarHBondContact O-N 3.44Å; L42-L57 HydrophobicContact CD1-CB 3.71Å; L42-L57 HydrophobicContact CD1-CD1 4.02Å; L42-T59 HydrophobicContact CB-CG2 4.01Å
43E96.3Very high95.2Very high159 Ų15962 Ų6274%0.74331%0.305SS*.Hα-helixtrans-60.2-44.9176.7-174-176.8-174.900112.5S41 Q46 H47S41-E43 PolarHBondContact O-N 3.37Å; E43-Q46 PolarHBondContact O-N 3.05Å; E43-H47 WeakPolarHBondContact O-CB 3.33Å; E43-H47 PolarHBondContact O-N 3.48Å
44Q94.7Very high95.1Very high85 Ų8559 Ų5940%0.39729%0.293SS..Hα-helixtrans-68.6-38.2177.4-76.5177.533.300111.8S39 S41 H47 F48S39-Q44 VanDerWaalsContact OG-CB 3.3Å; S39-Q44 WeakPolarHBondContact OG-CB 3.46Å; S39-Q44 PolarHBondContact OG-OE1 3.35Å; S41-Q44 PolarHBondContact O-N 3.45Å; S41-Q44 WeakPolarHBondContact OG-CB 3.39Å; S41-Q44 WeakPolarHBondContact OG-CG 3.45Å; S41-Q44 PolarHBondContact OG-N 3.08Å; Q44-H47 PolarHBondContact O-N 3.21Å; Q44-F48 PolarHBondContact O-N 3.37Å; Q44-F48 VanDerWaalsContact O-N 3.11Å
45A95.3Very high94.8Very high0 Ų064.8 Ų64.80%032%0.32CS..Hα-helixtrans-61.3-47.5174.400000110.7V37 S41 L42 F48 A49 L57V37-A45 HydrophobicContact CG1-CB 3.99Å; S41-A45 PolarHBondContact O-N 3.13Å; S41-A45 VanDerWaalsContact O-N 3.11Å; L42-A45 PolarHBondContact O-N 2.84Å; A45-F48 PolarHBondContact O-N 3.3Å; A45-A49 VanDerWaalsContact O-CB 3.24Å; A45-A49 WeakPolarHBondContact O-CB 3.09Å; A45-A49 PolarHBondContact O-N 2.65Å; A45-L57 HydrophobicContact CB-CB 4.36Å; A45-L57 HydrophobicContact CB-CD2 4.21Å
46Q95.4Very high94.8Very high89 Ų8967.8 Ų67.842%0.41633%0.333SS..Hα-helixtrans-62.3-44.8177.9-175.264.772.100111.7L42 E43 F48 A49 N50 L57L42-Q46 WeakPolarHBondContact O-CB 3.48Å; L42-Q46 PolarHBondContact O-N 3.44Å; E43-Q46 PolarHBondContact O-N 3.05Å; Q46-F48 VanDerWaalsContact C-N 3.32Å; Q46-F48 PolarHBondContact O-N 3.3Å; Q46-A49 PolarHBondContact O-N 3.41Å; Q46-N50 PolarHBondContact NE2-OD1 3.25Å; Q46-N50 PolarHBondContact O-N 2.86Å; Q46-N50 PolarHBondContact O-OD1 3.38Å; Q46-N50 VanDerWaalsContact O-OD1 3.06Å; Q46-L57 HydrophobicContact CB-CD1 3.88Å; Q46-L57 HydrophobicContact CG-CD1 4.42Å
47H94.6Very high94.8Very high140 Ų14069.9 Ų69.965%0.64834%0.344SS*.Hα-helixtrans-58.9-44.8179-177.670.4000111.7E43 Q44E43-H47 WeakPolarHBondContact O-CB 3.33Å; E43-H47 PolarHBondContact O-N 3.48Å; Q44-H47 PolarHBondContact O-N 3.21Å
48F95.1Very high94.8Very high18 Ų1871.3 Ų71.38%0.07935%0.351CS..Hα-helixtrans-66.7-41.1175.8-173.4-85.1000112.2V12 T15 T19 R20 V23 L34 V37 Q44 A45 Q46 N50 F52V12-F48 HydrophobicContact CG2-CD1 4.41Å; V12-F48 HydrophobicContact CG2-CE1 3.92Å; T15-F48 HydrophobicContact CG2-CB 3.82Å; T15-F48 HydrophobicContact CG2-CD2 4.24Å; T15-F48 HydrophobicContact CG2-CG 3.96Å; T19-F48 HydrophobicContact CG2-CE1 4.18Å; T19-F48 HydrophobicContact CG2-CE2 4.06Å; T19-F48 HydrophobicContact CG2-CZ 3.5Å; R20-F48 HydrophobicContact CB-CE2 4.21Å; R20-F48 HydrophobicContact CB-CZ 4.5Å; V23-F48 HydrophobicContact CG2-CE1 4.3Å; V23-F48 HydrophobicContact CG2-CZ 4.25Å; L34-F48 HydrophobicContact CD2-CE1 4.44Å; V37-F48 HydrophobicContact CG1-CD1 4.19Å; V37-F48 HydrophobicContact CG2-CD1 3.93Å; V37-F48 HydrophobicContact CG2-CE1 4.4Å; Q44-F48 PolarHBondContact O-N 3.37Å; Q44-F48 VanDerWaalsContact O-N 3.11Å; A45-F48 PolarHBondContact O-N 3.3Å; Q46-F48 VanDerWaalsContact C-N 3.32Å; Q46-F48 PolarHBondContact O-N 3.3Å; F48-N50 VanDerWaalsContact C-N 3.3Å; F48-N50 PolarHBondContact O-N 2.94Å; F48-F52 HydrophobicContact CD1-CD2 4.38Å; F48-F52 HydrophobicContact CD1-CE2 4.48Å; F48-F52 HydrophobicContact CE1-CD2 4.01Å; F48-F52 AromaticContact CE1-CE2 3.9Å; F48-F52 HydrophobicContact CE1-CE2 3.9Å; F48-F52 AromaticContact CZ-CE2 3.98Å; F48-F52 HydrophobicContact CZ-CE2 3.98Å
49A94.7Very high94.8Very high3 Ų373.4 Ų73.43%0.02537%0.367CS..Hα-helixtrans-68.1-24.7-177.700000114.6V37 A45 Q46 D51 F52 S53 V54 L57V37-A49 HydrophobicContact CG2-CB 4.35Å; A45-A49 VanDerWaalsContact O-CB 3.24Å; A45-A49 WeakPolarHBondContact O-CB 3.09Å; A45-A49 PolarHBondContact O-N 2.65Å; Q46-A49 PolarHBondContact O-N 3.41Å; A49-D51 PolarHBondContact O-N 3.24Å; A49-D51 VanDerWaalsContact O-N 3.13Å; A49-F52 PolarHBondContact O-N 2.95Å; A49-S53 PolarHBondContact O-N 2.84Å; A49-V54 HydrophobicContact CB-CB 3.83Å; A49-V54 HydrophobicContact CB-CG2 3.86Å; A49-L57 HydrophobicContact CB-CD2 3.6Å
50N92.5Very high94.8Very high101 Ų10175 Ų7554%0.5438%0.379SS..THydrogen-bonded Turntrans-56.6-30-178.1-74.7-15.6000113.1Q46 F48 F52Q46-N50 PolarHBondContact NE2-OD1 3.25Å; Q46-N50 PolarHBondContact O-N 2.86Å; Q46-N50 PolarHBondContact O-OD1 3.38Å; Q46-N50 VanDerWaalsContact O-OD1 3.06Å; F48-N50 VanDerWaalsContact C-N 3.3Å; F48-N50 PolarHBondContact O-N 2.94Å; N50-F52 VanDerWaalsContact C-N 3.34Å
51D89.8Confident95Very high91 Ų9166.5 Ų66.549%0.48735%0.348SS..THydrogen-bonded Turntrans-82.8-11.3-178.8-66.4-30000113.5R20 A49R20-D51 IonicContact CZ-OD2 2.97Å; R20-D51 IonicContact NH1-OD2 3.2Å; R20-D51 PolarHBondContact NH1-OD2 3.29Å; R20-D51 IonicContact NH2-OD2 2.95Å; R20-D51 PolarHBondContact NH2-OD2 3.17Å; A49-D51 PolarHBondContact O-N 3.24Å; A49-D51 VanDerWaalsContact O-N 3.13Å
52F93Very high95.1Very high28 Ų2869.5 Ų69.512%0.12336%0.358CS..THydrogen-bonded Turntrans-129.63.4-168.4-59.1-68.9000115R20 V23 E24 H27 L34 F48 A49 N50 V54R20-F52 HydrophobicContact CG-CE2 4.19Å; R20-F52 HydrophobicContact CG-CZ 3.76Å; V23-F52 HydrophobicContact CB-CE1 4.13Å; V23-F52 HydrophobicContact CB-CE2 4.41Å; V23-F52 HydrophobicContact CB-CZ 4.03Å; V23-F52 HydrophobicContact CG1-CD1 3.45Å; V23-F52 VanDerWaalsContact CG1-CD1 3.45Å; V23-F52 HydrophobicContact CG1-CD2 4.12Å; V23-F52 HydrophobicContact CG1-CE1 3.41Å; V23-F52 VanDerWaalsContact CG1-CE1 3.41Å; V23-F52 HydrophobicContact CG1-CE2 4.09Å; V23-F52 HydrophobicContact CG1-CG 3.81Å; V23-F52 HydrophobicContact CG1-CZ 3.73Å; E24-F52 HydrophobicContact CG-CE1 4.12Å; E24-F52 HydrophobicContact CG-CZ 4.29Å; H27-F52 AromaticContact CE1-CD1 3.77Å; L34-F52 HydrophobicContact CD2-CB 3.79Å; L34-F52 HydrophobicContact CD2-CD2 4.16Å; L34-F52 HydrophobicContact CD2-CG 4.07Å; F48-F52 HydrophobicContact CD1-CD2 4.38Å; F48-F52 HydrophobicContact CD1-CE2 4.48Å; F48-F52 HydrophobicContact CE1-CD2 4.01Å; F48-F52 AromaticContact CE1-CE2 3.9Å; F48-F52 HydrophobicContact CE1-CE2 3.9Å; F48-F52 AromaticContact CZ-CE2 3.98Å; F48-F52 HydrophobicContact CZ-CE2 3.98Å; A49-F52 PolarHBondContact O-N 2.95Å; N50-F52 VanDerWaalsContact C-N 3.34Å; F52-V54 HydrophobicContact CB-CG2 3.94Å; F52-V54 PolarHBondContact O-N 2.96Å
53S87Confident95.3Very high109 Ų10966.6 Ų66.676%0.76235%0.349SS*.THydrogen-bonded Turntrans53.551.1-180-55.50000114A49A49-S53 PolarHBondContact O-N 2.84Å
54V94.1Very high95.4Very high22 Ų2259 Ų5913%0.13331%0.313CS..  trans-81.5136-176.3-170.10000111.6L34 T35 V37 A49 F52L34-V54 HydrophobicContact CD2-CG2 3.47Å; L34-V54 VanDerWaalsContact CD2-CG2 3.47Å; L34-V54 HydrophobicContact CG-CG1 4.39Å; L34-V54 HydrophobicContact CG-CG2 3.7Å; T35-V54 VanDerWaalsContact O-CG1 3.24Å; T35-V54 WeakPolarHBondContact O-CG1 3.3Å; V37-V54 HydrophobicContact CG2-CB 4.36Å; V37-V54 HydrophobicContact CG2-CG1 4.01Å; V37-V54 HydrophobicContact CG2-CG2 3.95Å; A49-V54 HydrophobicContact CB-CB 3.83Å; A49-V54 HydrophobicContact CB-CG2 3.86Å; F52-V54 HydrophobicContact CB-CG2 3.94Å; F52-V54 PolarHBondContact O-N 2.96Å
55E93.3Very high95.5Very high125 Ų12555.2 Ų55.258%0.58430%0.296SS*.SBendtrans-83.2-34.6-175.8-67.1170.6-147.500113.1K33K33-E55 IonicContact NZ-OE1 3.38Å; K33-E55 PolarHBondContact NZ-OE1 2.95Å
56H97.7Very high95.7Very high70 Ų7062.2 Ų62.232%0.32433%0.329SS..EExtended strand (participates in β ladder)trans-118.8128.1-173.4-54.7-78.9000112.7T35 A36 V37 F58T35-H56 WeakPolarHBondContact O-CB 3.17Å; T35-H56 PolarHBondContact O-CD2 3.37Å; T35-H56 PolarHBondContact O-N 2.83Å; A36-H56 CarbonylContact C-O 3.58Å; A36-H56 VanDerWaalsContact CA-O 3.25Å; A36-H56 WeakPolarHBondContact CA-O 3.23Å; A36-H56 HydrophobicContact CB-CB 4.1Å; V37-H56 PolarHBondContact N-O 3.2Å; H56-F58 HydrophobicContact CB-CD2 4.3Å; H56-F58 HydrophobicContact CB-CE2 3.56Å; H56-F58 HydrophobicContact CB-CZ 4.15Å
57L97.9Very high95.8Very high44 Ų4459.2 Ų59.223%0.2332%0.318CS..EExtended strand (participates in β ladder)trans-117.4126.8174.7-55.9-178.1000109.8V37 L42 A45 Q46 A49V37-L57 HydrophobicContact CB-CD2 4.07Å; L42-L57 HydrophobicContact CD1-CB 3.71Å; L42-L57 HydrophobicContact CD1-CD1 4.02Å; A45-L57 HydrophobicContact CB-CB 4.36Å; A45-L57 HydrophobicContact CB-CD2 4.21Å; Q46-L57 HydrophobicContact CB-CD1 3.88Å; Q46-L57 HydrophobicContact CG-CD1 4.42Å; A49-L57 HydrophobicContact CB-CD2 3.6Å
58F98.2Very high95.9Very high30 Ų3059.1 Ų59.113%0.13232%0.322CS..EExtended strand (participates in β ladder)trans-118144.6-178.4-65.8-86000111.6A36 V37 Y38 S39 H56 A63 M64A36-F58 HydrophobicContact CB-CD2 4.02Å; A36-F58 HydrophobicContact CB-CE2 3.78Å; V37-F58 PolarHBondContact O-N 2.79Å; Y38-F58 WeakPolarHBondContact CA-O 3.44Å; Y38-F58 HydrophobicContact CD2-CB 4.42Å; S39-F58 PolarHBondContact N-O 3.33Å; S39-F58 VanDerWaalsContact N-O 3.13Å; H56-F58 HydrophobicContact CB-CD2 4.3Å; H56-F58 HydrophobicContact CB-CE2 3.56Å; H56-F58 HydrophobicContact CB-CZ 4.15Å; F58-A63 HydrophobicContact CD1-CB 4.09Å; F58-A63 HydrophobicContact CE1-CB 4.41Å; F58-A63 WeakPolarHBondContact CE1-O 3.47Å; F58-M64 HydrophobicContact CB-CB 3.95Å; F58-M64 HydrophobicContact CB-CG 4.4Å; F58-M64 HydrophobicContact CB-SD 4.28Å; F58-M64 HydrophobicContact CD1-CB 3.89Å; F58-M64 HydrophobicContact CD2-CB 3.81Å; F58-M64 HydrophobicContact CD2-CG 3.55Å; F58-M64 HydrophobicContact CD2-SD 3.78Å; F58-M64 HydrophobicContact CE1-CB 4.32Å; F58-M64 HydrophobicContact CE2-CB 4.23Å; F58-M64 HydrophobicContact CE2-CG 3.83Å; F58-M64 HydrophobicContact CE2-SD 4.48Å; F58-M64 HydrophobicContact CG-CB 3.61Å; F58-M64 HydrophobicContact CG-CG 3.92Å; F58-M64 HydrophobicContact CG-SD 4.27Å; F58-M64 HydrophobicContact CZ-CB 4.47Å; F58-M64 HydrophobicContact CZ-CG 4.43Å
59T97.7Very high95.9Very high79 Ų7958.6 Ų58.649%0.48532%0.321SS..SBendtrans-119.2-2.7169.455.10000112.9Y38 S39 L42Y38-T59 WeakPolarHBondContact CE2-O 3.25Å; S39-T59 WeakPolarHBondContact O-CA 3.46Å; L42-T59 HydrophobicContact CB-CG2 4.01Å
60S98.1Very high96.1Very high40 Ų4058.9 Ų58.928%0.2832%0.322SS..  trans-118.3135.71681570000108.5E62 A63 M64S60-E62 PolarHBondContact OG-N 2.74Å; S60-E62 PolarHBondContact OG-OE2 3.12Å; S60-A63 PolarHBondContact OG-N 2.85Å; S60-M64 PolarHBondContact O-N 2.95Å
61L98.4Very high96.4Very high23 Ų2356.5 Ų56.512%0.1231%0.309CS..Hα-helixtrans-71.8-38176.8-69.9168000110.5I13 Y38 M64 A65 Q85 L88 F89I13-L61 HydrophobicContact CD1-CD2 3.56Å; I13-L61 HydrophobicContact CG1-CD2 4.06Å; I13-L61 HydrophobicContact CG2-CD2 4.34Å; Y38-L61 HydrophobicContact CD1-CD2 3.72Å; Y38-L61 HydrophobicContact CD2-CD2 3.72Å; Y38-L61 HydrophobicContact CD2-CG 4.06Å; Y38-L61 HydrophobicContact CE1-CD2 3.78Å; Y38-L61 HydrophobicContact CE1-CG 4.18Å; Y38-L61 HydrophobicContact CE2-CD2 3.78Å; Y38-L61 HydrophobicContact CE2-CG 3.65Å; Y38-L61 HydrophobicContact CG-CD2 3.68Å; Y38-L61 HydrophobicContact CG-CG 4.47Å; L61-M64 WeakPolarHBondContact O-CB 3.5Å; L61-M64 PolarHBondContact O-N 2.74Å; L61-A65 WeakPolarHBondContact O-CB 3.35Å; L61-A65 PolarHBondContact O-N 2.78Å; L61-Q85 HydrophobicContact CD1-CG 3.89Å; L61-L88 HydrophobicContact CB-CD2 3.56Å; L61-F89 HydrophobicContact CD2-CE2 4.25Å; L61-F89 HydrophobicContact CD2-CZ 4.5Å
62E98.4Very high96.8Very high100 Ų10052.2 Ų52.247%0.46729%0.286SS..Hα-helixtrans-61.8-49.7178.4-57.472.2-159.200110.2S60 M64 A65 E66S60-E62 PolarHBondContact OG-N 2.74Å; S60-E62 PolarHBondContact OG-OE2 3.12Å; E62-M64 PolarHBondContact O-N 2.86Å; E62-A65 PolarHBondContact O-N 3.32Å; E62-A65 VanDerWaalsContact O-N 3.08Å; E62-E66 WeakPolarHBondContact O-CB 3.47Å; E62-E66 WeakPolarHBondContact O-CG 3.31Å; E62-E66 PolarHBondContact O-N 2.86Å
63A98.3Very high97.1Very high42 Ų4250.9 Ų50.935%0.34728%0.281SS..Hα-helixtrans-60.2-32.3176.300000112.8F58 S60 S67F58-A63 HydrophobicContact CD1-CB 4.09Å; F58-A63 HydrophobicContact CE1-CB 4.41Å; F58-A63 WeakPolarHBondContact CE1-O 3.47Å; S60-A63 PolarHBondContact OG-N 2.85Å; A63-S67 PolarHBondContact O-N 3.25Å
64M98.5Very high97.6Very high0 Ų045.7 Ų45.70%024%0.244CC..Hα-helixtrans-72.9-41.5175.1-170.1166.772.700111.6A11 I13 A36 F58 S60 L61 E62 E66 S67 I70 V73 F89A11-M64 HydrophobicContact CB-CE 3.88Å; A11-M64 HydrophobicContact CB-CG 4.42Å; A11-M64 HydrophobicContact CB-SD 3.63Å; I13-M64 HydrophobicContact CD1-CE 3.95Å; I13-M64 HydrophobicContact CG1-CE 3.62Å; A36-M64 HydrophobicContact CB-SD 4.22Å; F58-M64 HydrophobicContact CB-CB 3.95Å; F58-M64 HydrophobicContact CB-CG 4.4Å; F58-M64 HydrophobicContact CB-SD 4.28Å; F58-M64 HydrophobicContact CD1-CB 3.89Å; F58-M64 HydrophobicContact CD2-CB 3.81Å; F58-M64 HydrophobicContact CD2-CG 3.55Å; F58-M64 HydrophobicContact CD2-SD 3.78Å; F58-M64 HydrophobicContact CE1-CB 4.32Å; F58-M64 HydrophobicContact CE2-CB 4.23Å; F58-M64 HydrophobicContact CE2-CG 3.83Å; F58-M64 HydrophobicContact CE2-SD 4.48Å; F58-M64 HydrophobicContact CG-CB 3.61Å; F58-M64 HydrophobicContact CG-CG 3.92Å; F58-M64 HydrophobicContact CG-SD 4.27Å; F58-M64 HydrophobicContact CZ-CB 4.47Å; F58-M64 HydrophobicContact CZ-CG 4.43Å; S60-M64 PolarHBondContact O-N 2.95Å; L61-M64 WeakPolarHBondContact O-CB 3.5Å; L61-M64 PolarHBondContact O-N 2.74Å; E62-M64 PolarHBondContact O-N 2.86Å; M64-E66 VanDerWaalsContact C-N 3.35Å; M64-S67 WeakPolarHBondContact O-CB 3.41Å; M64-S67 PolarHBondContact O-N 3.04Å; M64-S67 PolarHBondContact O-OG 2.97Å; M64-I70 HydrophobicContact CG-CD1 3.97Å; M64-V73 HydrophobicContact CE-CG2 4.27Å; M64-F89 HydrophobicContact CB-CE1 4.44Å; M64-F89 HydrophobicContact CB-CZ 4.3Å; M64-F89 HydrophobicContact CE-CE1 3.84Å; M64-F89 HydrophobicContact CE-CE2 4.21Å; M64-F89 HydrophobicContact CE-CZ 3.33Å; M64-F89 HydrophobicContact CG-CE1 4.27Å; M64-F89 HydrophobicContact CG-CZ 4.38Å
65A98.5Very high97.9Very high5 Ų544.6 Ų44.64%0.04124%0.238CC..Hα-helixtrans-68.9-30.5178.600000113.1L61 E62 S67 L88 F89 H92 I94L61-A65 WeakPolarHBondContact O-CB 3.35Å; L61-A65 PolarHBondContact O-N 2.78Å; E62-A65 PolarHBondContact O-N 3.32Å; E62-A65 VanDerWaalsContact O-N 3.08Å; A65-S67 VanDerWaalsContact C-N 3.33Å; A65-L88 HydrophobicContact CB-CD1 4.4Å; A65-L88 HydrophobicContact CB-CD2 4.38Å; A65-L88 HydrophobicContact CB-CG 4.07Å; A65-F89 HydrophobicContact CB-CD1 3.98Å; A65-F89 HydrophobicContact CB-CE1 3.7Å; A65-F89 HydrophobicContact CB-CZ 4.1Å; A65-H92 HydrophobicContact CB-CB 4.18Å; A65-I94 WeakPolarHBondContact O-CD1 3.48Å
66E98.3Very high98.1Very high148 Ų14839 Ų3969%0.69221%0.213SC*.THydrogen-bonded Turntrans-80.4-13.1175.1-70.1174.7174.100113.2E62 M64E62-E66 WeakPolarHBondContact O-CB 3.47Å; E62-E66 WeakPolarHBondContact O-CG 3.31Å; E62-E66 PolarHBondContact O-N 2.86Å; M64-E66 VanDerWaalsContact C-N 3.35Å
67S97.3Very high98.1Very high25 Ų2536.4 Ų36.418%0.17520%0.202CC..  trans-75.7149-177.981.30000112.3A63 M64 A65 A69A63-S67 PolarHBondContact O-N 3.25Å; M64-S67 WeakPolarHBondContact O-CB 3.41Å; M64-S67 PolarHBondContact O-N 3.04Å; M64-S67 PolarHBondContact O-OG 2.97Å; A65-S67 VanDerWaalsContact C-N 3.33Å; S67-A69 PolarHBondContact O-N 2.96Å
68D96.4Very high98Very high139 Ų13936.5 Ų36.574%0.74321%0.206SC*.THydrogen-bonded Turntrans-84.17.1172.765.6-18.8000113.1R9 I70R9-D68 VanDerWaalsContact CZ-O 3.28Å; R9-D68 PolarHBondContact NH1-O 2.73Å; R9-D68 PolarHBondContact NH2-O 3.33Å; D68-I70 PolarHBondContact O-N 3.27Å
69A97Very high98Very high6 Ų635.9 Ų35.95%0.0520%0.204CC..THydrogen-bonded Turntrans-79.2-15-171.800000114.3T35 S67T35-A69 PolarHBondContact OG1-O 2.86Å; S67-A69 PolarHBondContact O-N 2.96Å
70I98Very high98.1Very high10 Ų1033.6 Ų33.65%0.05119%0.191CC..  trans-135.7146.3-170.261.4176.1000113.2R9 A11 A36 M64 D68 F89 I94R9-I70 CarbonylContact O-C 3.58Å; R9-I70 WeakPolarHBondContact O-CA 3.42Å; A11-I70 HydrophobicContact CB-CB 4.49Å; A11-I70 HydrophobicContact CB-CD1 3.75Å; A11-I70 HydrophobicContact CB-CG2 3.81Å; A36-I70 HydrophobicContact CB-CG2 3.76Å; M64-I70 HydrophobicContact CG-CD1 3.97Å; D68-I70 PolarHBondContact O-N 3.27Å; I70-F89 HydrophobicContact CD1-CD1 4.27Å; I70-F89 HydrophobicContact CD1-CE1 3.91Å; I70-I94 HydrophobicContact CD1-CD1 3.93Å; I70-I94 HydrophobicContact CD1-CG2 4.37Å; I70-I94 HydrophobicContact CG1-CD1 4Å
71D98.1Very high98.1Very high50 Ų5035 Ų3527%0.26720%0.195SC..SBendtrans-108.5-22.4173.3-48.7-51.8000111.2I8 R9 N95I8-D71 HydrophobicContact CG2-CB 4.43Å; R9-D71 WeakPolarHBondContact CB-OD2 3.13Å; R9-D71 WeakPolarHBondContact CG-OD2 3.47Å; R9-D71 IonicContact CZ-OD1 3.91Å; R9-D71 IonicContact CZ-OD2 2.67Å; R9-D71 PolarHBondContact N-OD2 3.06Å; R9-D71 IonicContact NE-OD1 3.86Å; R9-D71 PolarHBondContact NE-OD1 2.96Å; R9-D71 IonicContact NE-OD2 3.85Å; R9-D71 PolarHBondContact NE-OD2 3.17Å; R9-D71 IonicContact NH2-OD1 3.56Å; R9-D71 PolarHBondContact NH2-OD1 3.33Å; R9-D71 IonicContact NH2-OD2 3.05Å; R9-D71 PolarHBondContact O-N 3.02Å; D71-N95 PolarHBondContact O-N 3.12Å; D71-N95 VanDerWaalsContact O-N 3.12Å; D71-N95 PolarHBondContact O-ND2 3.09Å
72A98.7Very high98.1Very high1 Ų134 Ų341%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-145.3161.7178.600000112.8I8 R9 F10 A11 N95 F292I8-A72 HydrophobicContact CG2-CB 3.66Å; R9-A72 PolarHBondContact O-N 3.3Å; F10-A72 CarbonylContact C-O 3.54Å; F10-A72 WeakPolarHBondContact CA-O 3.33Å; F10-A72 HydrophobicContact CB-CB 4.24Å; A11-A72 PolarHBondContact N-O 3Å; A72-N95 CarbonylContact C-O 3.58Å; A72-N95 WeakPolarHBondContact CA-O 3.37Å; A72-N95 HydrophobicContact CB-CB 4.05Å; A72-F292 HydrophobicContact CB-CE1 3.93Å; A72-F292 HydrophobicContact CB-CZ 4.24Å
73V98.9Very high98.1Very high0 Ų030.4 Ų30.40%017%0.173CC..EExtended strand (participates in β ladder)trans-132.6137171.564.50000111.3A11 I13 M64 I75 F89 I94 N95 V96 I97A11-V73 HydrophobicContact CB-CB 4.24Å; A11-V73 HydrophobicContact CB-CG2 3.89Å; A11-V73 WeakPolarHBondContact O-CA 3.22Å; I13-V73 HydrophobicContact CD1-CG2 3.82Å; I13-V73 HydrophobicContact CG1-CG2 3.84Å; M64-V73 HydrophobicContact CE-CG2 4.27Å; V73-I75 HydrophobicContact CG1-CD1 4.19Å; V73-I75 HydrophobicContact CG1-CG1 4.08Å; V73-I75 HydrophobicContact CG2-CG1 4.14Å; V73-F89 HydrophobicContact CB-CD1 4.19Å; V73-F89 HydrophobicContact CB-CG 4.31Å; V73-F89 HydrophobicContact CG1-CB 3.7Å; V73-F89 HydrophobicContact CG1-CD1 3.87Å; V73-F89 HydrophobicContact CG1-CD2 3.96Å; V73-F89 HydrophobicContact CG1-CG 3.54Å; V73-I94 HydrophobicContact CB-CG2 4.45Å; V73-I94 HydrophobicContact CG1-CG2 4.28Å; V73-N95 PolarHBondContact N-O 2.99Å; V73-V96 HydrophobicContact CG1-CB 4.4Å; V73-V96 HydrophobicContact CG1-CG1 4.41Å; V73-V96 HydrophobicContact CG1-CG2 3.82Å; V73-I97 WeakPolarHBondContact O-CG2 3.49Å; V73-I97 PolarHBondContact O-N 3.17Å
74Y98.8Very high98.1Very high0 Ų031.6 Ų31.60%018%0.179CC..EExtended strand (participates in β ladder)trans-99.4119.5167.3174.5-96.4000111A11 V12 I13 T19 F22 A76 I97 E99A11-Y74 PolarHBondContact O-N 3.45Å; V12-Y74 CarbonylContact C-O 3.59Å; V12-Y74 WeakPolarHBondContact CA-O 3.32Å; V12-Y74 HydrophobicContact CG1-CD1 4.28Å; I13-Y74 PolarHBondContact N-O 3.44Å; T19-Y74 HydrophobicContact CG2-CD1 4.19Å; T19-Y74 HydrophobicContact CG2-CE1 4.25Å; F22-Y74 HydrophobicContact CB-CD1 4.21Å; F22-Y74 HydrophobicContact CB-CD2 4.32Å; F22-Y74 HydrophobicContact CB-CE1 3.79Å; F22-Y74 HydrophobicContact CB-CE2 3.95Å; F22-Y74 HydrophobicContact CB-CG 4.46Å; F22-Y74 AromaticContact CD1-CD1 3.83Å; F22-Y74 HydrophobicContact CD1-CD1 3.83Å; F22-Y74 AromaticContact CD1-CD2 3.51Å; F22-Y74 HydrophobicContact CD1-CD2 3.51Å; F22-Y74 HydrophobicContact CD1-CE1 4.26Å; F22-Y74 HydrophobicContact CD1-CE2 4Å; F22-Y74 AromaticContact CD1-CG 3.42Å; F22-Y74 HydrophobicContact CD1-CG 3.42Å; F22-Y74 VanDerWaalsContact CD1-CG 3.42Å; F22-Y74 AromaticContact CD2-CD2 3.7Å; F22-Y74 HydrophobicContact CD2-CD2 3.7Å; F22-Y74 AromaticContact CD2-CE2 3.53Å; F22-Y74 HydrophobicContact CD2-CE2 3.53Å; F22-Y74 HydrophobicContact CD2-CG 4.44Å; F22-Y74 AromaticContact CE1-CD2 3.65Å; F22-Y74 HydrophobicContact CE1-CD2 3.65Å; F22-Y74 HydrophobicContact CE1-CE2 4.45Å; F22-Y74 AromaticContact CE1-CG 3.71Å; F22-Y74 HydrophobicContact CE1-CG 3.71Å; F22-Y74 AromaticContact CE2-CD2 3.83Å; F22-Y74 HydrophobicContact CE2-CD2 3.83Å; F22-Y74 HydrophobicContact CE2-CE2 4.03Å; F22-Y74 HydrophobicContact CG-CD1 4.08Å; F22-Y74 AromaticContact CG-CD2 3.53Å; F22-Y74 HydrophobicContact CG-CD2 3.53Å; F22-Y74 HydrophobicContact CG-CE1 4.03Å; F22-Y74 AromaticContact CG-CE2 3.52Å; F22-Y74 HydrophobicContact CG-CE2 3.52Å; F22-Y74 AromaticContact CG-CG 3.84Å; F22-Y74 HydrophobicContact CG-CG 3.84Å; F22-Y74 AromaticContact CG-CZ 3.76Å; F22-Y74 AromaticContact CZ-CD2 3.81Å; F22-Y74 HydrophobicContact CZ-CD2 3.81Å; F22-Y74 HydrophobicContact CZ-CE2 4.47Å; F22-Y74 HydrophobicContact CZ-CG 4.33Å; Y74-A76 HydrophobicContact CD1-CB 4.27Å; Y74-A76 HydrophobicContact CE1-CB 3.47Å; Y74-A76 VanDerWaalsContact CE1-CB 3.47Å; Y74-I97 CarbonylContact C-O 3.58Å; Y74-I97 VanDerWaalsContact CA-O 3.27Å; Y74-I97 WeakPolarHBondContact CA-O 3.18Å; Y74-I97 HydrophobicContact CD2-CB 4.46Å; Y74-I97 HydrophobicContact CD2-CD1 4.36Å; Y74-I97 HydrophobicContact CD2-CG1 3.93Å; Y74-I97 HydrophobicContact CD2-CG2 3.88Å; Y74-I97 HydrophobicContact CE2-CG1 4.4Å; Y74-I97 HydrophobicContact CG-CG2 4.37Å; Y74-E99 HydrophobicContact CE2-CG 4.3Å; Y74-E99 VanDerWaalsContact OH-CG 3.25Å; Y74-E99 WeakPolarHBondContact OH-CG 3.27Å; Y74-E99 PolarHBondContact OH-OE1 3.44Å
75I98.8Very high98.1Very high0 Ų032.1 Ų32.10%018%0.181CC..EExtended strand (participates in β ladder)trans-107.5110.5-173.9-50.4-175.2000109.8I13 V73 Q85 V96 I97 C98 E99I13-I75 HydrophobicContact CB-CG2 4.5Å; I13-I75 HydrophobicContact CD1-CD1 4.46Å; I13-I75 HydrophobicContact CD1-CG1 4.14Å; V73-I75 HydrophobicContact CG1-CD1 4.19Å; V73-I75 HydrophobicContact CG1-CG1 4.08Å; V73-I75 HydrophobicContact CG2-CG1 4.14Å; I75-Q85 HydrophobicContact CD1-CB 3.98Å; I75-Q85 HydrophobicContact CG2-CB 4.26Å; I75-Q85 VanDerWaalsContact CG2-OE1 3.22Å; I75-V96 HydrophobicContact CD1-CG1 3.65Å; I75-V96 HydrophobicContact CG1-CG1 4.18Å; I75-I97 PolarHBondContact N-O 3.04Å; I75-C98 HydrophobicContact CB-CB 4.33Å; I75-E99 WeakPolarHBondContact O-CB 3.4Å; I75-E99 PolarHBondContact O-N 2.8Å
76A98.1Very high98.1Very high7 Ų731.9 Ų31.96%0.05818%0.179CC..  trans-128.541.117500000111.8I13 I18 Y74 E99I13-A76 CarbonylContact O-C 3.58Å; I13-A76 PolarHBondContact O-N 2.74Å; I18-A76 HydrophobicContact CG2-CB 4.02Å; Y74-A76 HydrophobicContact CD1-CB 4.27Å; Y74-A76 HydrophobicContact CE1-CB 3.47Å; Y74-A76 VanDerWaalsContact CE1-CB 3.47Å; A76-E99 HydrophobicContact CB-CB 4.49Å; A76-E99 HydrophobicContact CB-CG 3.79Å
77S97.7Very high98.1Very high15 Ų1527.6 Ų27.611%0.10516%0.159CC..SBendtrans-75.9177.5171.865.70000110.8H82 Q85S77-H82 PolarHBondContact O-NE2 2.87Å; S77-H82 PolarHBondContact OG-CD2 3.36Å; S77-Q85 VanDerWaalsContact CB-OE1 3.23Å; S77-Q85 PolarHBondContact OG-OE1 2.6Å
78P97Very high98.2Very high46 Ų4628 Ų2830%0.29916%0.159SC..  trans-57.7143.1167.7-28.434.4000112.7S80 L81 F178P78-S80 PolarHBondContact O-N 2.8Å; P78-L81 HydrophobicContact CG-CD1 4.44Å; P78-L81 WeakPolarHBondContact O-CB 3.38Å; P78-L81 PolarHBondContact O-N 2.97Å; P78-F178 HydrophobicContact CB-CD1 3.59Å; P78-F178 HydrophobicContact CB-CE1 4.18Å; P78-F178 HydrophobicContact CB-CG 4.47Å; P78-F178 HydrophobicContact CG-CD1 4.22Å; P78-F178 HydrophobicContact CG-CE1 4.35Å
79N98.2Very high98.3Very high17 Ų1721.3 Ų21.39%0.09112%0.123CC..G310 helixtrans-48.3-40.4-172.3-48.73.1000114.6L81 H82 P101 F178 S179 N180N79-L81 PolarHBondContact O-N 2.72Å; N79-L81 VanDerWaalsContact O-N 3.12Å; N79-H82 WeakPolarHBondContact O-CB 3.26Å; N79-H82 PolarHBondContact O-N 3.28Å; N79-H82 VanDerWaalsContact O-N 3.13Å; N79-P101 HydrophobicContact CB-CG 4.31Å; N79-P101 WeakPolarHBondContact ND2-CD 3.41Å; N79-F178 WeakPolarHBondContact CB-O 3.35Å; N79-S179 PolarHBondContact ND2-O 3.43Å; N79-N180 PolarHBondContact ND2-ND2 3.16Å
80S98Very high98.4Very high32 Ų3221 Ų2122%0.22412%0.121CC..G310 helixtrans-64.2-14.2179.961.40000114.5P78 A177P78-S80 PolarHBondContact O-N 2.8Å; S80-A177 WeakPolarHBondContact CB-O 3.38Å; S80-A177 PolarHBondContact OG-O 3.26Å
81L98.2Very high98.5Very high70 Ų7023.2 Ų23.237%0.36614%0.137SC..G310 helixtrans-101.6-10178.9-58.9178.9000112.6P78 N79 F83 S84 Q85P78-L81 HydrophobicContact CG-CD1 4.44Å; P78-L81 WeakPolarHBondContact O-CB 3.38Å; P78-L81 PolarHBondContact O-N 2.97Å; N79-L81 PolarHBondContact O-N 2.72Å; N79-L81 VanDerWaalsContact O-N 3.12Å; L81-F83 PolarHBondContact O-N 3.19Å; L81-S84 PolarHBondContact O-OG 3.13Å; L81-Q85 WeakPolarHBondContact O-CB 3.49Å; L81-Q85 WeakPolarHBondContact O-CG 3.47Å; L81-Q85 PolarHBondContact O-N 3.12Å
82H98.7Very high98.5Very high2 Ų224.2 Ų24.21%0.00914%0.14CC..Hα-helixtrans-58.8-48.4-176.9-73.2-172.8000112.1S77 N79 T86 C98 E99 P101 L102S77-H82 PolarHBondContact O-NE2 2.87Å; S77-H82 PolarHBondContact OG-CD2 3.36Å; N79-H82 WeakPolarHBondContact O-CB 3.26Å; N79-H82 PolarHBondContact O-N 3.28Å; N79-H82 VanDerWaalsContact O-N 3.13Å; H82-T86 WeakPolarHBondContact O-CB 3.48Å; H82-T86 PolarHBondContact O-N 3.43Å; H82-T86 PolarHBondContact O-OG1 3.13Å; H82-C98 VanDerWaalsContact CB-SG 3.57Å; H82-C98 VanDerWaalsContact CG-SG 3.53Å; H82-E99 PolarHBondContact CE1-O 3.11Å; H82-E99 PolarHBondContact ND1-O 3.48Å; H82-E99 VanDerWaalsContact ND1-O 3.07Å; H82-P101 PolarHBondContact ND1-O 3.26Å; H82-L102 WeakPolarHBondContact CB-O 3.31Å
83F98.7Very high98.5Very high24 Ų2431.1 Ų31.111%0.10517%0.17CC..Hα-helixtrans-63.7-52.2-175.7171.8-114.6000112.7L81 Q85 T86 Q87 A103 E108 A111 A112 L334L81-F83 PolarHBondContact O-N 3.19Å; F83-Q85 VanDerWaalsContact C-N 3.3Å; F83-Q85 PolarHBondContact O-N 2.84Å; F83-T86 PolarHBondContact O-N 2.8Å; F83-Q87 HydrophobicContact CD2-CG 4.17Å; F83-Q87 HydrophobicContact CE1-CG 4.3Å; F83-Q87 HydrophobicContact CE2-CG 3.5Å; F83-Q87 VanDerWaalsContact CE2-CG 3.5Å; F83-Q87 HydrophobicContact CZ-CG 3.58Å; F83-Q87 WeakPolarHBondContact O-CB 3.35Å; F83-Q87 PolarHBondContact O-N 2.65Å; F83-A103 HydrophobicContact CB-CB 4.04Å; F83-E108 HydrophobicContact CB-CB 4.03Å; F83-E108 HydrophobicContact CB-CG 4.15Å; F83-E108 HydrophobicContact CD1-CB 4.03Å; F83-E108 HydrophobicContact CD1-CG 3.6Å; F83-E108 HydrophobicContact CD2-CB 3.58Å; F83-E108 HydrophobicContact CD2-CG 4.11Å; F83-E108 VanDerWaalsContact CD2-O 3.3Å; F83-E108 WeakPolarHBondContact CD2-O 3.44Å; F83-E108 HydrophobicContact CE1-CB 4.43Å; F83-E108 HydrophobicContact CE1-CG 3.99Å; F83-E108 HydrophobicContact CE2-CB 4Å; F83-E108 HydrophobicContact CE2-CG 4.45Å; F83-E108 WeakPolarHBondContact CE2-O 3.44Å; F83-E108 HydrophobicContact CG-CB 3.58Å; F83-E108 HydrophobicContact CG-CG 3.67Å; F83-E108 HydrophobicContact CZ-CB 4.4Å; F83-E108 HydrophobicContact CZ-CG 4.39Å; F83-A111 HydrophobicContact CE2-CB 3.87Å; F83-A111 HydrophobicContact CZ-CB 3.93Å; F83-A112 HydrophobicContact CD2-CB 4.35Å; F83-A112 HydrophobicContact CE2-CB 4.36Å; F83-L334 HydrophobicContact CE1-CD1 4.37Å; F83-L334 HydrophobicContact CE1-CD2 3.48Å; F83-L334 VanDerWaalsContact CE1-CD2 3.48Å; F83-L334 HydrophobicContact CZ-CD1 4.03Å; F83-L334 HydrophobicContact CZ-CD2 3.76Å
84S98.3Very high98.5Very high67 Ų6731.5 Ų31.547%0.46917%0.172SC..Hα-helixtrans-63.8-37.6-17756.30000112.1L81 L88L81-S84 PolarHBondContact O-OG 3.13Å; S84-L88 PolarHBondContact O-N 3.45Å; S84-L88 VanDerWaalsContact O-N 3.13Å
85Q98.8Very high98.5Very high11 Ų1132.6 Ų32.65%0.05118%0.178CC..Hα-helixtrans-67.9-47.8174.3-67173.4-7.800111I13 L61 I75 S77 L81 F83 Q87 L88 F89I13-Q85 HydrophobicContact CD1-CB 4.42Å; L61-Q85 HydrophobicContact CD1-CG 3.89Å; I75-Q85 HydrophobicContact CD1-CB 3.98Å; I75-Q85 HydrophobicContact CG2-CB 4.26Å; I75-Q85 VanDerWaalsContact CG2-OE1 3.22Å; S77-Q85 VanDerWaalsContact CB-OE1 3.23Å; S77-Q85 PolarHBondContact OG-OE1 2.6Å; L81-Q85 WeakPolarHBondContact O-CB 3.49Å; L81-Q85 WeakPolarHBondContact O-CG 3.47Å; L81-Q85 PolarHBondContact O-N 3.12Å; F83-Q85 VanDerWaalsContact C-N 3.3Å; F83-Q85 PolarHBondContact O-N 2.84Å; Q85-Q87 VanDerWaalsContact C-N 3.33Å; Q85-Q87 PolarHBondContact O-N 3.3Å; Q85-L88 WeakPolarHBondContact O-CB 3.41Å; Q85-L88 PolarHBondContact O-N 3.11Å; Q85-L88 VanDerWaalsContact O-N 3.17Å; Q85-F89 VanDerWaalsContact O-CD2 3.25Å; Q85-F89 WeakPolarHBondContact O-CD2 3.17Å; Q85-F89 PolarHBondContact O-N 2.9Å
86T98.9Very high98.5Very high0 Ų032.6 Ų32.60%018%0.178CC..Hα-helixtrans-54.8-49.6176.2-66.20000111.2H82 F83 L88 F89 L90 V96 L102 A112 L123H82-T86 WeakPolarHBondContact O-CB 3.48Å; H82-T86 PolarHBondContact O-N 3.43Å; H82-T86 PolarHBondContact O-OG1 3.13Å; F83-T86 PolarHBondContact O-N 2.8Å; T86-L88 VanDerWaalsContact C-N 3.34Å; T86-L88 PolarHBondContact O-N 2.77Å; T86-F89 PolarHBondContact O-N 3.47Å; T86-L90 HydrophobicContact CG2-CD1 3.51Å; T86-L90 HydrophobicContact CG2-CG 4.06Å; T86-L90 WeakPolarHBondContact O-CB 3.36Å; T86-L90 VanDerWaalsContact O-CG 3.23Å; T86-L90 WeakPolarHBondContact O-CG 3.19Å; T86-L90 PolarHBondContact O-N 3.23Å; T86-V96 HydrophobicContact CG2-CG1 4.06Å; T86-L102 HydrophobicContact CG2-CD1 4.39Å; T86-A112 HydrophobicContact CG2-CB 4.06Å; T86-L123 HydrophobicContact CG2-CD1 3.62Å
87Q98.7Very high98.5Very high58 Ų5832.4 Ų32.427%0.27118%0.176SC..Hα-helixtrans-54.3-47.8176.5-99-77-34.800112.4F83 Q85 F89 L90 S91 A111 C115F83-Q87 HydrophobicContact CD2-CG 4.17Å; F83-Q87 HydrophobicContact CE1-CG 4.3Å; F83-Q87 HydrophobicContact CE2-CG 3.5Å; F83-Q87 VanDerWaalsContact CE2-CG 3.5Å; F83-Q87 HydrophobicContact CZ-CG 3.58Å; F83-Q87 WeakPolarHBondContact O-CB 3.35Å; F83-Q87 PolarHBondContact O-N 2.65Å; Q85-Q87 VanDerWaalsContact C-N 3.33Å; Q85-Q87 PolarHBondContact O-N 3.3Å; Q87-F89 PolarHBondContact O-N 3.43Å; Q87-L90 PolarHBondContact O-N 2.95Å; Q87-S91 WeakPolarHBondContact O-CB 3.45Å; Q87-S91 PolarHBondContact O-N 3.5Å; Q87-S91 PolarHBondContact O-OG 3.48Å; Q87-A111 PolarHBondContact NE2-O 2.78Å; Q87-C115 VanDerWaalsContact NE2-CB 3.27Å
88L98.8Very high98.6Very high32 Ų3231.7 Ų31.717%0.16817%0.171CC..Hα-helixtrans-57.8-46.6180175.966.6000112.3L61 A65 S84 Q85 T86 S91 H92L61-L88 HydrophobicContact CB-CD2 3.56Å; A65-L88 HydrophobicContact CB-CD1 4.4Å; A65-L88 HydrophobicContact CB-CD2 4.38Å; A65-L88 HydrophobicContact CB-CG 4.07Å; S84-L88 PolarHBondContact O-N 3.45Å; S84-L88 VanDerWaalsContact O-N 3.13Å; Q85-L88 WeakPolarHBondContact O-CB 3.41Å; Q85-L88 PolarHBondContact O-N 3.11Å; Q85-L88 VanDerWaalsContact O-N 3.17Å; T86-L88 VanDerWaalsContact C-N 3.34Å; T86-L88 PolarHBondContact O-N 2.77Å; L88-S91 PolarHBondContact O-OG 2.93Å; L88-H92 PolarHBondContact O-N 2.85Å; L88-H92 PolarHBondContact O-ND1 2.95Å
89F98.9Very high98.6Very high0 Ų030.5 Ų30.50%016%0.161CC..Hα-helixtrans-75.6-38.7-177.2-75-83.5000112.2I13 L61 M64 A65 I70 V73 Q85 T86 Q87 S91 H92 K93 I94 V96I13-F89 HydrophobicContact CD1-CD2 4.12Å; I13-F89 HydrophobicContact CD1-CE2 3.44Å; I13-F89 VanDerWaalsContact CD1-CE2 3.44Å; I13-F89 HydrophobicContact CD1-CZ 4.03Å; L61-F89 HydrophobicContact CD2-CE2 4.25Å; L61-F89 HydrophobicContact CD2-CZ 4.5Å; M64-F89 HydrophobicContact CB-CE1 4.44Å; M64-F89 HydrophobicContact CB-CZ 4.3Å; M64-F89 HydrophobicContact CE-CE1 3.84Å; M64-F89 HydrophobicContact CE-CE2 4.21Å; M64-F89 HydrophobicContact CE-CZ 3.33Å; M64-F89 HydrophobicContact CG-CE1 4.27Å; M64-F89 HydrophobicContact CG-CZ 4.38Å; A65-F89 HydrophobicContact CB-CD1 3.98Å; A65-F89 HydrophobicContact CB-CE1 3.7Å; A65-F89 HydrophobicContact CB-CZ 4.1Å; I70-F89 HydrophobicContact CD1-CD1 4.27Å; I70-F89 HydrophobicContact CD1-CE1 3.91Å; V73-F89 HydrophobicContact CB-CD1 4.19Å; V73-F89 HydrophobicContact CB-CG 4.31Å; V73-F89 HydrophobicContact CG1-CB 3.7Å; V73-F89 HydrophobicContact CG1-CD1 3.87Å; V73-F89 HydrophobicContact CG1-CD2 3.96Å; V73-F89 HydrophobicContact CG1-CG 3.54Å; Q85-F89 VanDerWaalsContact O-CD2 3.25Å; Q85-F89 WeakPolarHBondContact O-CD2 3.17Å; Q85-F89 PolarHBondContact O-N 2.9Å; T86-F89 PolarHBondContact O-N 3.47Å; Q87-F89 PolarHBondContact O-N 3.43Å; F89-S91 VanDerWaalsContact C-N 3.31Å; F89-S91 PolarHBondContact O-N 3.48Å; F89-H92 CarbonylContact O-C 3.5Å; F89-H92 PolarHBondContact O-N 3.34Å; F89-H92 VanDerWaalsContact O-N 3.14Å; F89-K93 PolarHBondContact O-N 2.85Å; F89-I94 HydrophobicContact CB-CB 4.18Å; F89-I94 HydrophobicContact CB-CG2 4.34Å; F89-I94 HydrophobicContact CD1-CB 4.26Å; F89-I94 HydrophobicContact CD1-CD1 3.7Å; F89-I94 HydrophobicContact CD1-CG2 4.08Å; F89-I94 HydrophobicContact CE1-CD1 4.29Å; F89-I94 WeakPolarHBondContact O-CB 3.35Å; F89-I94 PolarHBondContact O-N 3.01Å; F89-V96 HydrophobicContact CB-CG2 3.73Å
90L98.9Very high98.6Very high0 Ų030.4 Ų30.40%016%0.16CC..Hα-helixtrans-61.1-40.9174.9-66.1174.6000111.6T86 Q87 H92 K93 V96 A112 C115 A116 N119 V121 L123T86-L90 HydrophobicContact CG2-CD1 3.51Å; T86-L90 HydrophobicContact CG2-CG 4.06Å; T86-L90 WeakPolarHBondContact O-CB 3.36Å; T86-L90 VanDerWaalsContact O-CG 3.23Å; T86-L90 WeakPolarHBondContact O-CG 3.19Å; T86-L90 PolarHBondContact O-N 3.23Å; Q87-L90 PolarHBondContact O-N 2.95Å; L90-H92 PolarHBondContact O-N 2.85Å; L90-K93 PolarHBondContact O-N 2.92Å; L90-V96 HydrophobicContact CD2-CB 4.02Å; L90-V96 HydrophobicContact CD2-CG2 3.67Å; L90-V96 HydrophobicContact CG-CB 4.45Å; L90-V96 HydrophobicContact CG-CG2 3.82Å; L90-A112 HydrophobicContact CD1-CB 4.41Å; L90-A112 WeakPolarHBondContact CD1-O 3.42Å; L90-C115 HydrophobicContact CB-CB 4.35Å; L90-C115 HydrophobicContact CD1-CB 4.3Å; L90-A116 HydrophobicContact CD1-CB 4.06Å; L90-A116 HydrophobicContact CD2-CB 3.94Å; L90-N119 VanDerWaalsContact O-CB 3.25Å; L90-N119 WeakPolarHBondContact O-CB 3.43Å; L90-N119 VanDerWaalsContact O-CG 3.31Å; L90-V121 HydrophobicContact CB-CG2 4.4Å; L90-V121 HydrophobicContact CD2-CG2 3.53Å; L90-L123 HydrophobicContact CD1-CD1 4.31Å; L90-L123 HydrophobicContact CD1-CD2 4.17Å; L90-L123 HydrophobicContact CD2-CB 4.2Å
91S98.6Very high98.7Very high56 Ų5629 Ų2939%0.39215%0.15SC..Hα-helixtrans-67.8-21.9178.274.30000113.4Q87 L88 F89 K93Q87-S91 WeakPolarHBondContact O-CB 3.45Å; Q87-S91 PolarHBondContact O-N 3.5Å; Q87-S91 PolarHBondContact O-OG 3.48Å; L88-S91 PolarHBondContact O-OG 2.93Å; F89-S91 VanDerWaalsContact C-N 3.31Å; F89-S91 PolarHBondContact O-N 3.48Å; S91-K93 VanDerWaalsContact C-N 3.29Å
92H98.7Very high98.7Very high71 Ų7125.7 Ų25.733%0.32913%0.133SC..THydrogen-bonded Turntrans-90.910.9172.2-72.280.2000112.7A65 L88 F89 L90 I94A65-H92 HydrophobicContact CB-CB 4.18Å; L88-H92 PolarHBondContact O-N 2.85Å; L88-H92 PolarHBondContact O-ND1 2.95Å; F89-H92 CarbonylContact O-C 3.5Å; F89-H92 PolarHBondContact O-N 3.34Å; F89-H92 VanDerWaalsContact O-N 3.14Å; L90-H92 PolarHBondContact O-N 2.85Å; H92-I94 VanDerWaalsContact C-N 3.28Å; H92-I94 HydrophobicContact CB-CD1 4.12Å; H92-I94 HydrophobicContact CB-CG1 4.49Å; H92-I94 PolarHBondContact O-N 2.84Å
93K98.5Very high98.7Very high145 Ų14525.9 Ų25.963%0.6314%0.135SC*.THydrogen-bonded Turntrans59.738.4-179.8-50.4177.5-179.2179.70112.9F89 L90 S91 N119 V121F89-K93 PolarHBondContact O-N 2.85Å; L90-K93 PolarHBondContact O-N 2.92Å; S91-K93 VanDerWaalsContact C-N 3.29Å; K93-N119 HydrophobicContact CG-CB 4.16Å; K93-V121 VanDerWaalsContact C-CG1 3.44Å; K93-V121 HydrophobicContact CB-CG1 4.17Å; K93-V121 WeakPolarHBondContact O-CG1 3.39Å
94I98.8Very high98.7Very high8 Ų824.9 Ų24.94%0.04113%0.13CC..  trans-103.9135.3172.8-65.4164.1000108.5A65 I70 V73 F89 H92A65-I94 WeakPolarHBondContact O-CD1 3.48Å; I70-I94 HydrophobicContact CD1-CD1 3.93Å; I70-I94 HydrophobicContact CD1-CG2 4.37Å; I70-I94 HydrophobicContact CG1-CD1 4Å; V73-I94 HydrophobicContact CB-CG2 4.45Å; V73-I94 HydrophobicContact CG1-CG2 4.28Å; F89-I94 HydrophobicContact CB-CB 4.18Å; F89-I94 HydrophobicContact CB-CG2 4.34Å; F89-I94 HydrophobicContact CD1-CB 4.26Å; F89-I94 HydrophobicContact CD1-CD1 3.7Å; F89-I94 HydrophobicContact CD1-CG2 4.08Å; F89-I94 HydrophobicContact CE1-CD1 4.29Å; F89-I94 WeakPolarHBondContact O-CB 3.35Å; F89-I94 PolarHBondContact O-N 3.01Å; H92-I94 VanDerWaalsContact C-N 3.28Å; H92-I94 HydrophobicContact CB-CD1 4.12Å; H92-I94 HydrophobicContact CB-CG1 4.49Å; H92-I94 PolarHBondContact O-N 2.84Å
95N98.8Very high98.7Very high24 Ų2422.3 Ų22.313%0.12811%0.112CC..EExtended strand (participates in β ladder)trans-68.3140.6176.2-58.5-79000110.1D71 A72 V73 V122 F292 V296D71-N95 PolarHBondContact O-N 3.12Å; D71-N95 VanDerWaalsContact O-N 3.12Å; D71-N95 PolarHBondContact O-ND2 3.09Å; A72-N95 CarbonylContact C-O 3.58Å; A72-N95 WeakPolarHBondContact CA-O 3.37Å; A72-N95 HydrophobicContact CB-CB 4.05Å; V73-N95 PolarHBondContact N-O 2.99Å; N95-V122 CarbonylContact C-O 3.53Å; N95-V122 WeakPolarHBondContact CA-O 3.39Å; N95-V122 HydrophobicContact CB-CB 4.45Å; N95-V122 PolarHBondContact OD1-N 2.74Å; N95-F292 HydrophobicContact CB-CE2 4.47Å; N95-F292 HydrophobicContact CB-CZ 3.77Å; N95-V296 HydrophobicContact CB-CG2 4.04Å
96V98.9Very high98.7Very high0 Ų023.5 Ų23.50%012%0.118CC..EExtended strand (participates in β ladder)trans-121.3126.5-175.6177.60000110.5V73 I75 T86 F89 L90 C98 V122 L123 F124V73-V96 HydrophobicContact CG1-CB 4.4Å; V73-V96 HydrophobicContact CG1-CG1 4.41Å; V73-V96 HydrophobicContact CG1-CG2 3.82Å; I75-V96 HydrophobicContact CD1-CG1 3.65Å; I75-V96 HydrophobicContact CG1-CG1 4.18Å; T86-V96 HydrophobicContact CG2-CG1 4.06Å; F89-V96 HydrophobicContact CB-CG2 3.73Å; L90-V96 HydrophobicContact CD2-CB 4.02Å; L90-V96 HydrophobicContact CD2-CG2 3.67Å; L90-V96 HydrophobicContact CG-CB 4.45Å; L90-V96 HydrophobicContact CG-CG2 3.82Å; V96-C98 HydrophobicContact CG1-CB 4.11Å; V96-V122 PolarHBondContact N-O 3.26Å; V96-L123 HydrophobicContact CB-CD1 3.96Å; V96-L123 HydrophobicContact CG1-CD1 3.97Å; V96-L123 CarbonylContact O-C 3.53Å; V96-L123 WeakPolarHBondContact O-CA 3.45Å; V96-F124 PolarHBondContact O-N 3.37Å
97I98.8Very high98.7Very high2 Ų226.2 Ų26.21%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-108.9116.7158.1173.1161.2000108.4F22 V73 Y74 I75 F124 A126 F292F22-I97 HydrophobicContact CE1-CG2 4.48Å; F22-I97 HydrophobicContact CE2-CD1 3.58Å; F22-I97 HydrophobicContact CZ-CD1 3.83Å; F22-I97 HydrophobicContact CZ-CG2 4.06Å; V73-I97 WeakPolarHBondContact O-CG2 3.49Å; V73-I97 PolarHBondContact O-N 3.17Å; Y74-I97 CarbonylContact C-O 3.58Å; Y74-I97 VanDerWaalsContact CA-O 3.27Å; Y74-I97 WeakPolarHBondContact CA-O 3.18Å; Y74-I97 HydrophobicContact CD2-CB 4.46Å; Y74-I97 HydrophobicContact CD2-CD1 4.36Å; Y74-I97 HydrophobicContact CD2-CG1 3.93Å; Y74-I97 HydrophobicContact CD2-CG2 3.88Å; Y74-I97 HydrophobicContact CE2-CG1 4.4Å; Y74-I97 HydrophobicContact CG-CG2 4.37Å; I75-I97 PolarHBondContact N-O 3.04Å; I97-F124 CarbonylContact C-O 3.43Å; I97-F124 VanDerWaalsContact CA-O 3.31Å; I97-F124 WeakPolarHBondContact CA-O 3.24Å; I97-F124 HydrophobicContact CB-CB 4.47Å; I97-F124 HydrophobicContact CB-CD1 4.48Å; I97-F124 HydrophobicContact CD1-CD1 3.6Å; I97-F124 HydrophobicContact CD1-CE1 3.98Å; I97-F124 HydrophobicContact CG1-CD1 3.82Å; I97-A126 HydrophobicContact CD1-CB 4.25Å; I97-A126 HydrophobicContact CG1-CB 4.07Å; I97-F292 HydrophobicContact CB-CD1 4.23Å; I97-F292 HydrophobicContact CB-CD2 4.19Å; I97-F292 HydrophobicContact CB-CE1 4.21Å; I97-F292 HydrophobicContact CB-CE2 4.11Å; I97-F292 HydrophobicContact CB-CG 4.23Å; I97-F292 HydrophobicContact CB-CZ 4.13Å; I97-F292 HydrophobicContact CD1-CB 4.31Å; I97-F292 HydrophobicContact CD1-CG 4.38Å; I97-F292 HydrophobicContact CG2-CD1 4.04Å; I97-F292 HydrophobicContact CG2-CE1 3.86Å; I97-F292 HydrophobicContact CG2-CZ 4.14Å
98C98.9Very high98.7Very high0 Ų024.3 Ų24.30%013%0.132CC..EExtended strand (participates in β ladder)trans-114.7133.4-176.2-177.10000110.3I75 H82 V96 L102 F124 E125 A126I75-C98 HydrophobicContact CB-CB 4.33Å; H82-C98 VanDerWaalsContact CB-SG 3.57Å; H82-C98 VanDerWaalsContact CG-SG 3.53Å; V96-C98 HydrophobicContact CG1-CB 4.11Å; C98-L102 HydrophobicContact CB-CD1 3.59Å; C98-F124 PolarHBondContact N-O 3.27Å; C98-E125 CarbonylContact O-C 3.58Å; C98-E125 WeakPolarHBondContact O-CA 3.23Å; C98-A126 WeakPolarHBondContact O-CB 3.42Å; C98-A126 PolarHBondContact O-N 2.76Å
99E98.5Very high98.7Very high21 Ų2122.9 Ų22.910%0.09812%0.124CC..EExtended strand (participates in β ladder)trans-53.7150.4171-92-64.8153.600112Y74 I75 A76 H82 P101 M285Y74-E99 HydrophobicContact CE2-CG 4.3Å; Y74-E99 VanDerWaalsContact OH-CG 3.25Å; Y74-E99 WeakPolarHBondContact OH-CG 3.27Å; Y74-E99 PolarHBondContact OH-OE1 3.44Å; I75-E99 WeakPolarHBondContact O-CB 3.4Å; I75-E99 PolarHBondContact O-N 2.8Å; A76-E99 HydrophobicContact CB-CB 4.49Å; A76-E99 HydrophobicContact CB-CG 3.79Å; H82-E99 PolarHBondContact CE1-O 3.11Å; H82-E99 PolarHBondContact ND1-O 3.48Å; H82-E99 VanDerWaalsContact ND1-O 3.07Å; E99-P101 CarbonylContact O-C 3.48Å; E99-M285 WeakPolarHBondContact OE1-CE 3.47Å
100K98.1Very high98.6Very high15 Ų1525.3 Ų25.37%0.06514%0.137CC..SBendtrans-73.7149.81746185.7-156.4167.20110.8E125 D185 F188 Y189K100-E125 HydrophobicContact CB-CG 4.21Å; K100-D185 PolarHBondContact NZ-O 3.33Å; K100-D185 IonicContact NZ-OD1 3.72Å; K100-D185 PolarHBondContact NZ-OD1 2.99Å; K100-F188 HydrophobicContact CB-CD1 3.94Å; K100-F188 HydrophobicContact CB-CD2 4.39Å; K100-F188 HydrophobicContact CB-CE1 3.5Å; K100-F188 VanDerWaalsContact CB-CE1 3.5Å; K100-F188 HydrophobicContact CB-CE2 4Å; K100-F188 HydrophobicContact CB-CG 4.39Å; K100-F188 HydrophobicContact CB-CZ 3.55Å; K100-F188 HydrophobicContact CD-CB 4.39Å; K100-F188 HydrophobicContact CD-CD1 3.65Å; K100-F188 HydrophobicContact CD-CE1 4.1Å; K100-F188 HydrophobicContact CD-CG 3.95Å; K100-F188 HydrophobicContact CG-CD1 3.94Å; K100-F188 HydrophobicContact CG-CE1 3.85Å; K100-F188 HydrophobicContact CG-CZ 4.4Å; K100-Y189 HydrophobicContact CD-CE2 4.26Å; K100-Y189 WeakPolarHBondContact CE-OH 3.33Å
101P98.7Very high98.6Very high2 Ų226.5 Ų26.51%0.01315%0.147CC..SBendcis-70.4143.5-16.430.5-31.7000110N79 H82 E99 A103 E125 M184 F188 L316N79-P101 HydrophobicContact CB-CG 4.31Å; N79-P101 WeakPolarHBondContact ND2-CD 3.41Å; H82-P101 PolarHBondContact ND1-O 3.26Å; E99-P101 CarbonylContact O-C 3.48Å; P101-A103 PolarHBondContact O-N 3.12Å; P101-A103 VanDerWaalsContact O-N 3.11Å; P101-E125 WeakPolarHBondContact CA-OE1 3.06Å; P101-M184 HydrophobicContact CB-CE 4.01Å; P101-M184 HydrophobicContact CG-CE 3.58Å; P101-F188 HydrophobicContact CB-CD2 3.98Å; P101-F188 HydrophobicContact CB-CE2 4.06Å; P101-L316 HydrophobicContact CB-CD1 4.48Å
102L98.7Very high98.6Very high2 Ų223.9 Ų23.91%0.0113%0.129CC..SBendtrans-54.4-34.3-178.2172.661.9000112.9H82 T86 C98 V109 L123 E125H82-L102 WeakPolarHBondContact CB-O 3.31Å; T86-L102 HydrophobicContact CG2-CD1 4.39Å; C98-L102 HydrophobicContact CB-CD1 3.59Å; L102-V109 HydrophobicContact CB-CG2 4.35Å; L102-V109 HydrophobicContact CD2-CG1 4.07Å; L102-V109 HydrophobicContact CD2-CG2 4.12Å; L102-V109 HydrophobicContact CG-CG2 4.28Å; L102-L123 HydrophobicContact CD1-CD1 3.94Å; L102-L123 HydrophobicContact CD2-CD2 4.1Å; L102-E125 HydrophobicContact CB-CB 4.1Å; L102-E125 HydrophobicContact CB-CG 3.83Å; L102-E125 PolarHBondContact N-OE1 3.41Å
103A98.6Very high98.6Very high6 Ų620.7 Ų20.75%0.0511%0.114CC..SBendtrans-155.1177.1177.800000112F83 P101 E108 V109F83-A103 HydrophobicContact CB-CB 4.04Å; P101-A103 PolarHBondContact O-N 3.12Å; P101-A103 VanDerWaalsContact O-N 3.11Å; A103-E108 HydrophobicContact CB-CB 3.46Å; A103-E108 VanDerWaalsContact CB-CB 3.46Å; A103-E108 HydrophobicContact CB-CG 4.5Å; A103-E108 WeakPolarHBondContact CB-OE2 3.24Å; A103-V109 HydrophobicContact CB-CG2 3.71Å
104S98.5Very high98.7Very high2 Ų216.3 Ų16.31%0.01411%0.105CC..SBendtrans-75.9-30.7-177-48.40000112.7E108 S179 R320S104-E108 WeakPolarHBondContact CA-OE2 3.37Å; S104-E108 WeakPolarHBondContact CB-OE2 3.25Å; S104-E108 PolarHBondContact N-OE2 3.41Å; S104-E108 PolarHBondContact OG-OE2 3.04Å; S104-S179 WeakPolarHBondContact CB-OG 3.32Å; S104-S179 WeakPolarHBondContact OG-CB 3.11Å; S104-S179 PolarHBondContact OG-OG 2.88Å; S104-R320 PolarHBondContact O-NH2 2.89Å
105N98.5Very high98.7Very high14 Ų1416.4 Ų16.48%0.07511%0.106CC..SBendtrans-151.7173.8-176.462.450.7000112.7A107 E108 V109 T317 A329 D330N105-A107 VanDerWaalsContact C-N 3.34Å; N105-A107 PolarHBondContact O-N 3.47Å; N105-A107 WeakPolarHBondContact OD1-CB 3.27Å; N105-A107 PolarHBondContact OD1-N 2.99Å; N105-A107 VanDerWaalsContact OD1-N 3.08Å; N105-E108 PolarHBondContact O-N 3.26Å; N105-E108 PolarHBondContact OD1-N 2.8Å; N105-V109 PolarHBondContact O-N 2.96Å; N105-T317 WeakPolarHBondContact CA-OG1 3.36Å; N105-T317 HydrophobicContact CB-CG2 4.42Å; N105-A329 PolarHBondContact ND2-O 3.48Å; N105-D330 PolarHBondContact ND2-OD1 3.48Å
106L98.4Very high98.7Very high36 Ų3615.2 Ų15.219%0.18810%0.1CC..Hα-helixtrans-60.8-38.5-180175.961.6000113.3E108 V109 D110 R310 K314 T317L106-E108 VanDerWaalsContact C-N 3.33Å; L106-E108 PolarHBondContact O-N 2.94Å; L106-V109 PolarHBondContact O-N 2.89Å; L106-D110 WeakPolarHBondContact O-CB 3.42Å; L106-D110 PolarHBondContact O-N 2.97Å; L106-R310 HydrophobicContact CD1-CG 3.97Å; L106-K314 HydrophobicContact CD1-CB 4.06Å; L106-K314 HydrophobicContact CD2-CB 3.91Å; L106-K314 HydrophobicContact CD2-CG 3.98Å; L106-K314 HydrophobicContact CG-CB 4.46Å; L106-T317 PolarHBondContact N-OG1 2.85Å
107A98.4Very high98.6Very high57 Ų5720.7 Ų20.747%0.47112%0.12SC..Hα-helixtrans-63.2-42.5-176.500000111.1N105 D110 A111 L334N105-A107 VanDerWaalsContact C-N 3.34Å; N105-A107 PolarHBondContact O-N 3.47Å; N105-A107 WeakPolarHBondContact OD1-CB 3.27Å; N105-A107 PolarHBondContact OD1-N 2.99Å; N105-A107 VanDerWaalsContact OD1-N 3.08Å; A107-D110 PolarHBondContact O-N 3.31Å; A107-A111 WeakPolarHBondContact O-CB 3.47Å; A107-A111 PolarHBondContact O-N 3.38Å; A107-L334 VanDerWaalsContact C-CD1 3.49Å; A107-L334 HydrophobicContact CB-CD1 4.07Å; A107-L334 WeakPolarHBondContact O-CD1 3.49Å
108E98.7Very high98.6Very high17 Ų1728.2 Ų28.28%0.07916%0.156CC..Hα-helixtrans-63.3-43.4174.5-69.9-176.1155.400112.2F83 A103 S104 N105 L106 A111 A112 L334F83-E108 HydrophobicContact CB-CB 4.03Å; F83-E108 HydrophobicContact CB-CG 4.15Å; F83-E108 HydrophobicContact CD1-CB 4.03Å; F83-E108 HydrophobicContact CD1-CG 3.6Å; F83-E108 HydrophobicContact CD2-CB 3.58Å; F83-E108 HydrophobicContact CD2-CG 4.11Å; F83-E108 VanDerWaalsContact CD2-O 3.3Å; F83-E108 WeakPolarHBondContact CD2-O 3.44Å; F83-E108 HydrophobicContact CE1-CB 4.43Å; F83-E108 HydrophobicContact CE1-CG 3.99Å; F83-E108 HydrophobicContact CE2-CB 4Å; F83-E108 HydrophobicContact CE2-CG 4.45Å; F83-E108 WeakPolarHBondContact CE2-O 3.44Å; F83-E108 HydrophobicContact CG-CB 3.58Å; F83-E108 HydrophobicContact CG-CG 3.67Å; F83-E108 HydrophobicContact CZ-CB 4.4Å; F83-E108 HydrophobicContact CZ-CG 4.39Å; A103-E108 HydrophobicContact CB-CB 3.46Å; A103-E108 VanDerWaalsContact CB-CB 3.46Å; A103-E108 HydrophobicContact CB-CG 4.5Å; A103-E108 WeakPolarHBondContact CB-OE2 3.24Å; S104-E108 WeakPolarHBondContact CA-OE2 3.37Å; S104-E108 WeakPolarHBondContact CB-OE2 3.25Å; S104-E108 PolarHBondContact N-OE2 3.41Å; S104-E108 PolarHBondContact OG-OE2 3.04Å; N105-E108 PolarHBondContact O-N 3.26Å; N105-E108 PolarHBondContact OD1-N 2.8Å; L106-E108 VanDerWaalsContact C-N 3.33Å; L106-E108 PolarHBondContact O-N 2.94Å; E108-A111 PolarHBondContact O-N 3.25Å; E108-A112 WeakPolarHBondContact O-CB 3.47Å; E108-A112 PolarHBondContact O-N 2.86Å; E108-L334 HydrophobicContact CG-CD1 4.26Å
109V98.8Very high98.6Very high2 Ų229.8 Ų29.81%0.01216%0.164CC..Hα-helixtrans-63.5-43.2175.9172.50000111.7L102 A103 N105 L106 A111 A112 I113 A313L102-V109 HydrophobicContact CB-CG2 4.35Å; L102-V109 HydrophobicContact CD2-CG1 4.07Å; L102-V109 HydrophobicContact CD2-CG2 4.12Å; L102-V109 HydrophobicContact CG-CG2 4.28Å; A103-V109 HydrophobicContact CB-CG2 3.71Å; N105-V109 PolarHBondContact O-N 2.96Å; L106-V109 PolarHBondContact O-N 2.89Å; V109-A111 VanDerWaalsContact C-N 3.33Å; V109-A111 PolarHBondContact O-N 2.86Å; V109-A112 PolarHBondContact O-N 3.09Å; V109-I113 HydrophobicContact CG1-CD1 3.74Å; V109-I113 HydrophobicContact CG1-CG1 4.33Å; V109-I113 WeakPolarHBondContact O-CG1 3.24Å; V109-I113 PolarHBondContact O-N 3.25Å; V109-A313 HydrophobicContact CB-CB 3.94Å; V109-A313 HydrophobicContact CG1-CB 4.22Å; V109-A313 HydrophobicContact CG2-CB 3.54Å
110D98.6Very high98.6Very high51 Ų5135.4 Ų35.427%0.27319%0.19SC..Hα-helixtrans-61-42.2177.3-83.1-11000111.5L106 A107 A114 R310L106-D110 WeakPolarHBondContact O-CB 3.42Å; L106-D110 PolarHBondContact O-N 2.97Å; A107-D110 PolarHBondContact O-N 3.31Å; D110-A114 WeakPolarHBondContact O-CB 3.46Å; D110-A114 PolarHBondContact O-N 3.46Å; D110-R310 WeakPolarHBondContact OD1-CD 3.21Å; D110-R310 WeakPolarHBondContact OD1-CG 3.22Å; D110-R310 IonicContact OD1-CZ 2.71Å; D110-R310 IonicContact OD1-NE 4Å; D110-R310 PolarHBondContact OD1-NE 3.41Å; D110-R310 IonicContact OD1-NH2 3.57Å; D110-R310 PolarHBondContact OD1-NH2 3.15Å; D110-R310 IonicContact OD2-CZ 2.78Å; D110-R310 IonicContact OD2-NE 3.62Å; D110-R310 IonicContact OD2-NH2 3.49Å; D110-R310 PolarHBondContact OD2-NH2 2.88Å
111A98.7Very high98.7Very high25 Ų2535.1 Ų35.121%0.20719%0.19CC..Hα-helixtrans-66.9-39.9176.400000112.8F83 Q87 A107 E108 V109 A114 C115 L334F83-A111 HydrophobicContact CE2-CB 3.87Å; F83-A111 HydrophobicContact CZ-CB 3.93Å; Q87-A111 PolarHBondContact NE2-O 2.78Å; A107-A111 WeakPolarHBondContact O-CB 3.47Å; A107-A111 PolarHBondContact O-N 3.38Å; E108-A111 PolarHBondContact O-N 3.25Å; V109-A111 VanDerWaalsContact C-N 3.33Å; V109-A111 PolarHBondContact O-N 2.86Å; A111-A114 PolarHBondContact O-N 3.49Å; A111-C115 WeakPolarHBondContact O-CB 3.39Å; A111-C115 PolarHBondContact O-N 3.46Å; A111-L334 HydrophobicContact CB-CD1 3.82Å
112A98.8Very high98.7Very high1 Ų135.1 Ų35.11%0.00819%0.19CC..Hα-helixtrans-64.7-45.2176.100000111.7F83 T86 L90 E108 V109 A114 C115 A116 L123F83-A112 HydrophobicContact CD2-CB 4.35Å; F83-A112 HydrophobicContact CE2-CB 4.36Å; T86-A112 HydrophobicContact CG2-CB 4.06Å; L90-A112 HydrophobicContact CD1-CB 4.41Å; L90-A112 WeakPolarHBondContact CD1-O 3.42Å; E108-A112 WeakPolarHBondContact O-CB 3.47Å; E108-A112 PolarHBondContact O-N 2.86Å; V109-A112 PolarHBondContact O-N 3.09Å; A112-A114 VanDerWaalsContact C-N 3.33Å; A112-A114 PolarHBondContact O-N 3.05Å; A112-C115 PolarHBondContact O-N 2.98Å; A112-A116 WeakPolarHBondContact O-CB 3.3Å; A112-A116 PolarHBondContact O-N 2.98Å; A112-L123 HydrophobicContact CB-CD2 3.78Å
113I98.9Very high98.7Very high5 Ų535 Ų353%0.02619%0.189CC..Hα-helixtrans-61.4-42.6176-69.2172000111V109 A116 R117 L123 L306 R310V109-I113 HydrophobicContact CG1-CD1 3.74Å; V109-I113 HydrophobicContact CG1-CG1 4.33Å; V109-I113 WeakPolarHBondContact O-CG1 3.24Å; V109-I113 PolarHBondContact O-N 3.25Å; I113-A116 PolarHBondContact O-N 3.48Å; I113-R117 VanDerWaalsContact CG2-CZ 3.49Å; I113-R117 WeakPolarHBondContact O-CG 3.43Å; I113-R117 PolarHBondContact O-N 3.04Å; I113-R117 VanDerWaalsContact O-N 3.1Å; I113-L123 HydrophobicContact CG1-CD2 4.24Å; I113-L306 HydrophobicContact CD1-CB 4.43Å; I113-L306 HydrophobicContact CG1-CD2 4.19Å; I113-L306 HydrophobicContact CG2-CD1 4.39Å; I113-R310 HydrophobicContact CD1-CB 4Å; I113-R310 HydrophobicContact CD1-CG 4.46Å
114A98.7Very high98.7Very high53 Ų5335.1 Ų35.144%0.43819%0.189SC..Hα-helixtrans-61.9-44.7176.800000111.8D110 A111 A112 A116 R117 E118D110-A114 WeakPolarHBondContact O-CB 3.46Å; D110-A114 PolarHBondContact O-N 3.46Å; A111-A114 PolarHBondContact O-N 3.49Å; A112-A114 VanDerWaalsContact C-N 3.33Å; A112-A114 PolarHBondContact O-N 3.05Å; A114-A116 PolarHBondContact O-N 2.92Å; A114-R117 PolarHBondContact O-N 3.13Å; A114-E118 WeakPolarHBondContact O-CB 3.33Å; A114-E118 PolarHBondContact O-N 3.18Å
115C98.8Very high98.7Very high9 Ų935.7 Ų35.76%0.06119%0.191CC..Hα-helixtrans-63.5-41.4178.4-172.80000112.6Q87 L90 A111 A112 R117 E118 N119Q87-C115 VanDerWaalsContact NE2-CB 3.27Å; L90-C115 HydrophobicContact CB-CB 4.35Å; L90-C115 HydrophobicContact CD1-CB 4.3Å; A111-C115 WeakPolarHBondContact O-CB 3.39Å; A111-C115 PolarHBondContact O-N 3.46Å; A112-C115 PolarHBondContact O-N 2.98Å; C115-R117 PolarHBondContact O-N 3.15Å; C115-E118 PolarHBondContact O-N 3.17Å; C115-N119 WeakPolarHBondContact O-CB 3.37Å; C115-N119 PolarHBondContact O-N 3.42Å; C115-N119 PolarHBondContact O-ND2 3.47Å
116A98.9Very high98.7Very high0 Ų035.1 Ų35.10%019%0.188CC..Hα-helixtrans-60.2-45.3175.600000111.7L90 A112 I113 A114 N119 Q120 V121 L123L90-A116 HydrophobicContact CD1-CB 4.06Å; L90-A116 HydrophobicContact CD2-CB 3.94Å; A112-A116 WeakPolarHBondContact O-CB 3.3Å; A112-A116 PolarHBondContact O-N 2.98Å; I113-A116 PolarHBondContact O-N 3.48Å; A114-A116 PolarHBondContact O-N 2.92Å; A116-N119 PolarHBondContact O-N 3.26Å; A116-Q120 PolarHBondContact O-N 2.95Å; A116-V121 PolarHBondContact O-N 3.22Å; A116-L123 HydrophobicContact CB-CB 3.68Å; A116-L123 HydrophobicContact CB-CD2 4.39Å
117R98.7Very high98.7Very high114 Ų11434 Ų3443%0.4318%0.182SC..Hα-helixtrans-63.3-45.3175.1-73.4171.5174151.43.5112.5I113 A114 C115 N119 Q120 V301 D302I113-R117 VanDerWaalsContact CG2-CZ 3.49Å; I113-R117 WeakPolarHBondContact O-CG 3.43Å; I113-R117 PolarHBondContact O-N 3.04Å; I113-R117 VanDerWaalsContact O-N 3.1Å; A114-R117 PolarHBondContact O-N 3.13Å; C115-R117 PolarHBondContact O-N 3.15Å; R117-N119 VanDerWaalsContact C-N 3.31Å; R117-N119 PolarHBondContact O-N 2.71Å; R117-Q120 PolarHBondContact O-N 3.24Å; R117-Q120 PolarHBondContact O-NE2 3.43Å; R117-V301 HydrophobicContact CG-CG1 4.14Å; R117-D302 IonicContact CZ-OD1 3.19Å; R117-D302 IonicContact NE-OD1 2.77Å; R117-D302 PolarHBondContact NE-OD1 3.03Å; R117-D302 IonicContact NE-OD2 3.6Å; R117-D302 IonicContact NH2-OD1 3.27Å; R117-D302 PolarHBondContact NH2-OD1 3.32Å
118E98.7Very high98.6Very high160 Ų16032.3 Ų32.375%0.74816%0.164SC*.Hα-helixtrans-61.4-41.7179.3-177.5175-169.500111.7A114 C115A114-E118 WeakPolarHBondContact O-CB 3.33Å; A114-E118 PolarHBondContact O-N 3.18Å; C115-E118 PolarHBondContact O-N 3.17Å
119N98.7Very high98.5Very high33 Ų3331.5 Ų31.518%0.17616%0.16CC..Hα-helixtrans-90.30.6-177.7-71.8-75.7000114.3L90 K93 C115 A116 R117 V121L90-N119 VanDerWaalsContact O-CB 3.25Å; L90-N119 WeakPolarHBondContact O-CB 3.43Å; L90-N119 VanDerWaalsContact O-CG 3.31Å; K93-N119 HydrophobicContact CG-CB 4.16Å; C115-N119 WeakPolarHBondContact O-CB 3.37Å; C115-N119 PolarHBondContact O-N 3.42Å; C115-N119 PolarHBondContact O-ND2 3.47Å; A116-N119 PolarHBondContact O-N 3.26Å; R117-N119 VanDerWaalsContact C-N 3.31Å; R117-N119 PolarHBondContact O-N 2.71Å; N119-V121 VanDerWaalsContact C-N 3.32Å; N119-V121 HydrophobicContact CB-CG2 4.08Å; N119-V121 PolarHBondContact O-N 3.29Å
120Q98.6Very high98.4Very high140 Ų14032.8 Ų32.865%0.65417%0.171SC*.THydrogen-bonded Turntrans5545179.4-62.1-70.8-66.500113A116 R117A116-Q120 PolarHBondContact O-N 2.95Å; R117-Q120 PolarHBondContact O-N 3.24Å; R117-Q120 PolarHBondContact O-NE2 3.43Å
121V98.7Very high98.4Very high8 Ų831.7 Ų31.75%0.04817%0.167CC..  trans-123.6154.4177.9-71.20000111.6L90 K93 A116 N119L90-V121 HydrophobicContact CB-CG2 4.4Å; L90-V121 HydrophobicContact CD2-CG2 3.53Å; K93-V121 VanDerWaalsContact C-CG1 3.44Å; K93-V121 HydrophobicContact CB-CG1 4.17Å; K93-V121 WeakPolarHBondContact O-CG1 3.39Å; A116-V121 PolarHBondContact O-N 3.22Å; N119-V121 VanDerWaalsContact C-N 3.32Å; N119-V121 HydrophobicContact CB-CG2 4.08Å; N119-V121 PolarHBondContact O-N 3.29Å
122V98.8Very high98.4Very high2 Ų230.5 Ų30.51%0.01216%0.157CC..  trans-78.5128.2178.5-1790000109.7N95 V96 F292 L295 V296N95-V122 CarbonylContact C-O 3.53Å; N95-V122 WeakPolarHBondContact CA-O 3.39Å; N95-V122 HydrophobicContact CB-CB 4.45Å; N95-V122 PolarHBondContact OD1-N 2.74Å; V96-V122 PolarHBondContact N-O 3.26Å; V122-F292 HydrophobicContact CB-CE2 4.19Å; V122-F292 HydrophobicContact CG1-CD2 3.97Å; V122-F292 HydrophobicContact CG1-CE2 3.7Å; V122-L295 HydrophobicContact CG1-CB 3.88Å; V122-L295 HydrophobicContact CG1-CD1 4.28Å; V122-L295 HydrophobicContact CG2-CB 4.32Å; V122-V296 HydrophobicContact CB-CG2 4.11Å; V122-V296 HydrophobicContact CG2-CG2 4.13Å
123L98.9Very high98.3Very high0 Ų032.2 Ų32.20%017%0.168CC..EExtended strand (participates in β ladder)trans-112.1126.4167.2171.861.7000108.9T86 L90 V96 L102 A112 I113 A116 H303 L306T86-L123 HydrophobicContact CG2-CD1 3.62Å; L90-L123 HydrophobicContact CD1-CD1 4.31Å; L90-L123 HydrophobicContact CD1-CD2 4.17Å; L90-L123 HydrophobicContact CD2-CB 4.2Å; V96-L123 HydrophobicContact CB-CD1 3.96Å; V96-L123 HydrophobicContact CG1-CD1 3.97Å; V96-L123 CarbonylContact O-C 3.53Å; V96-L123 WeakPolarHBondContact O-CA 3.45Å; L102-L123 HydrophobicContact CD1-CD1 3.94Å; L102-L123 HydrophobicContact CD2-CD2 4.1Å; A112-L123 HydrophobicContact CB-CD2 3.78Å; I113-L123 HydrophobicContact CG1-CD2 4.24Å; A116-L123 HydrophobicContact CB-CB 3.68Å; A116-L123 HydrophobicContact CB-CD2 4.39Å; L123-H303 PolarHBondContact O-NE2 2.89Å; L123-L306 HydrophobicContact CB-CD2 4.38Å; L123-L306 HydrophobicContact CG-CD2 4.36Å; L123-L306 VanDerWaalsContact O-CD2 3.22Å; L123-L306 WeakPolarHBondContact O-CD2 3.38Å
124F98.8Very high98.3Very high9 Ų932 Ų324%0.03917%0.167CC..EExtended strand (participates in β ladder)trans-132122-179.1-174.7-89.7000110.8V96 I97 C98 E288 L291 F292 L295 H303V96-F124 PolarHBondContact O-N 3.37Å; I97-F124 CarbonylContact C-O 3.43Å; I97-F124 VanDerWaalsContact CA-O 3.31Å; I97-F124 WeakPolarHBondContact CA-O 3.24Å; I97-F124 HydrophobicContact CB-CB 4.47Å; I97-F124 HydrophobicContact CB-CD1 4.48Å; I97-F124 HydrophobicContact CD1-CD1 3.6Å; I97-F124 HydrophobicContact CD1-CE1 3.98Å; I97-F124 HydrophobicContact CG1-CD1 3.82Å; C98-F124 PolarHBondContact N-O 3.27Å; F124-E288 HydrophobicContact CE1-CB 4Å; F124-E288 HydrophobicContact CZ-CB 4.15Å; F124-L291 HydrophobicContact CE2-CD2 3.78Å; F124-L291 HydrophobicContact CE2-CG 4.16Å; F124-L291 HydrophobicContact CZ-CD2 4.12Å; F124-F292 HydrophobicContact CB-CD2 3.47Å; F124-F292 VanDerWaalsContact CB-CD2 3.47Å; F124-F292 HydrophobicContact CB-CE2 3.88Å; F124-F292 HydrophobicContact CB-CG 4.48Å; F124-F292 HydrophobicContact CG-CD2 4.01Å; F124-L295 HydrophobicContact CD2-CD1 3.77Å; F124-L295 HydrophobicContact CE2-CD1 4.23Å; F124-H303 AromaticContact CD2-CE1 3.83Å
125E98.8Very high98.3Very high14 Ų1429.5 Ų29.57%0.06515%0.146CC..EExtended strand (participates in β ladder)trans-80.2123.4166.9-176.1174.3-152.800108.9C98 K100 P101 L102 F127 F188 S309C98-E125 CarbonylContact O-C 3.58Å; C98-E125 WeakPolarHBondContact O-CA 3.23Å; K100-E125 HydrophobicContact CB-CG 4.21Å; P101-E125 WeakPolarHBondContact CA-OE1 3.06Å; L102-E125 HydrophobicContact CB-CB 4.1Å; L102-E125 HydrophobicContact CB-CG 3.83Å; L102-E125 PolarHBondContact N-OE1 3.41Å; E125-F127 PolarHBondContact O-N 3.42Å; E125-F188 HydrophobicContact CG-CZ 4.41Å; E125-F188 WeakPolarHBondContact OE1-CE2 3.41Å; E125-F188 VanDerWaalsContact OE1-CZ 3.25Å; E125-F188 WeakPolarHBondContact OE1-CZ 3.41Å; E125-S309 VanDerWaalsContact CB-OG 3.3Å; E125-S309 WeakPolarHBondContact CB-OG 3.31Å; E125-S309 WeakPolarHBondContact OE2-CA 3.38Å; E125-S309 WeakPolarHBondContact OE2-CB 3.19Å; E125-S309 PolarHBondContact OE2-OG 3.05Å
126A98.3Very high98.2Very high2 Ų233.7 Ų33.72%0.01717%0.165CC..EExtended strand (participates in β ladder)trans-71.466.4-179.200000111.7I97 C98 K128 E288I97-A126 HydrophobicContact CD1-CB 4.25Å; I97-A126 HydrophobicContact CG1-CB 4.07Å; C98-A126 WeakPolarHBondContact O-CB 3.42Å; C98-A126 PolarHBondContact O-N 2.76Å; A126-K128 PolarHBondContact O-N 2.88Å; A126-E288 WeakPolarHBondContact CA-OE2 3.39Å; A126-E288 WeakPolarHBondContact CB-OE2 3.45Å
127F97.8Very high98.2Very high12 Ų1235.1 Ų35.15%0.05317%0.172CC..  trans-9372.8169176-136000109.5E125 T129 A130 F188 Y189 A192 A196E125-F127 PolarHBondContact O-N 3.42Å; F127-T129 HydrophobicContact CE2-CG2 4.26Å; F127-T129 WeakPolarHBondContact CE2-OG1 3.47Å; F127-T129 HydrophobicContact CZ-CG2 4.24Å; F127-T129 PolarHBondContact O-N 2.8Å; F127-A130 HydrophobicContact CD1-CB 3.74Å; F127-A130 HydrophobicContact CE1-CB 3.72Å; F127-A130 PolarHBondContact O-N 3.01Å; F127-F188 HydrophobicContact CB-CE1 4.07Å; F127-F188 HydrophobicContact CB-CZ 4.42Å; F127-F188 HydrophobicContact CD2-CD1 4.35Å; F127-F188 AromaticContact CD2-CE1 3.68Å; F127-F188 HydrophobicContact CD2-CE1 3.68Å; F127-F188 HydrophobicContact CE2-CE1 4.38Å; F127-F188 AromaticContact CG-CE1 3.96Å; F127-F188 HydrophobicContact CG-CE1 3.96Å; F127-Y189 HydrophobicContact CD2-CD1 4.19Å; F127-Y189 AromaticContact CE2-CD1 3.93Å; F127-Y189 HydrophobicContact CE2-CD1 3.93Å; F127-A192 HydrophobicContact CD1-CB 3.82Å; F127-A192 HydrophobicContact CD2-CB 4.07Å; F127-A192 HydrophobicContact CE1-CB 3.51Å; F127-A192 HydrophobicContact CE2-CB 3.77Å; F127-A192 HydrophobicContact CG-CB 4.1Å; F127-A192 HydrophobicContact CZ-CB 3.5Å; F127-A196 HydrophobicContact CE1-CB 4.23Å
128K96.2Very high98.2Very high22 Ų2229.7 Ų29.710%0.09615%0.152CC..G310 helixtrans-48.7-35-17572.4-178.7-176.1169.40115A126 A130 C131 L132 E260 T284 M285 E288A126-K128 PolarHBondContact O-N 2.88Å; K128-A130 PolarHBondContact O-N 2.86Å; K128-C131 WeakPolarHBondContact O-CA 3.3Å; K128-C131 WeakPolarHBondContact O-CB 3.4Å; K128-C131 PolarHBondContact O-N 3.48Å; K128-L132 WeakPolarHBondContact O-CG 3.29Å; K128-L132 PolarHBondContact O-N 3.26Å; K128-E260 WeakPolarHBondContact CE-OE1 3.23Å; K128-E260 WeakPolarHBondContact CE-OE2 3.4Å; K128-E260 IonicContact NZ-OE1 2.73Å; K128-E260 PolarHBondContact NZ-OE1 3.04Å; K128-E260 IonicContact NZ-OE2 3.33Å; K128-E260 PolarHBondContact NZ-OE2 3.43Å; K128-T284 PolarHBondContact NZ-OG1 3.37Å; K128-T284 VanDerWaalsContact NZ-OG1 3.14Å; K128-M285 HydrophobicContact CD-CG 4.38Å; K128-E288 VanDerWaalsContact CA-OE2 3.26Å; K128-E288 WeakPolarHBondContact CA-OE2 3.37Å; K128-E288 HydrophobicContact CB-CG 4.31Å; K128-E288 VanDerWaalsContact CB-OE2 3.31Å; K128-E288 WeakPolarHBondContact CB-OE2 2.95Å; K128-E288 PolarHBondContact N-OE2 3.4Å; K128-E288 VanDerWaalsContact N-OE2 3.14Å
129T97.9Very high98.1Very high0 Ų026.8 Ų26.80%013%0.134CC..G310 helixtrans-54.2-40.3-175.7-50.30000112.1F127 C131 L132 F135 Y189 L258 S259F127-T129 HydrophobicContact CE2-CG2 4.26Å; F127-T129 WeakPolarHBondContact CE2-OG1 3.47Å; F127-T129 HydrophobicContact CZ-CG2 4.24Å; F127-T129 PolarHBondContact O-N 2.8Å; T129-C131 PolarHBondContact O-N 2.95Å; T129-L132 HydrophobicContact CG2-CD1 4.49Å; T129-L132 WeakPolarHBondContact O-CG 3.36Å; T129-L132 PolarHBondContact O-N 3.02Å; T129-F135 HydrophobicContact CG2-CD2 3.64Å; T129-F135 HydrophobicContact CG2-CE2 3.95Å; T129-F135 HydrophobicContact CG2-CG 4.31Å; T129-F135 WeakPolarHBondContact O-CB 3.42Å; T129-F135 WeakPolarHBondContact O-CG 3.39Å; T129-Y189 WeakPolarHBondContact OG1-CD1 3.4Å; T129-L258 WeakPolarHBondContact CG2-O 3.5Å; T129-S259 PolarHBondContact OG1-O 3.14Å
130A97.1Very high98.1Very high29 Ų2931.1 Ų31.124%0.2415%0.153CC..G310 helixtrans-67-18.718000000113.9F127 K128 F135F127-A130 HydrophobicContact CD1-CB 3.74Å; F127-A130 HydrophobicContact CE1-CB 3.72Å; F127-A130 PolarHBondContact O-N 3.01Å; K128-A130 PolarHBondContact O-N 2.86Å; A130-F135 HydrophobicContact CB-CE1 4.46Å
131C97.4Very high98Very high27 Ų2724.6 Ų24.618%0.18212%0.123CC..G310 helixtrans-93.7-11.2-178.9-50.50000112.7K128 T129 Y287 E288 L291K128-C131 WeakPolarHBondContact O-CA 3.3Å; K128-C131 WeakPolarHBondContact O-CB 3.4Å; K128-C131 PolarHBondContact O-N 3.48Å; T129-C131 PolarHBondContact O-N 2.95Å; C131-Y287 WeakPolarHBondContact O-CB 3.4Å; C131-E288 HydrophobicContact CB-CB 4.32Å; C131-L291 VanDerWaalsContact SG-CD2 3.58Å
132L98.2Very high98Very high0 Ų025.5 Ų25.50%013%0.128CC..SBendtrans-70.5140.2-173.5-57.1-178.1000112K128 T129 N134 F135 H136 E260 C261 T284 Y287K128-L132 WeakPolarHBondContact O-CG 3.29Å; K128-L132 PolarHBondContact O-N 3.26Å; T129-L132 HydrophobicContact CG2-CD1 4.49Å; T129-L132 WeakPolarHBondContact O-CG 3.36Å; T129-L132 PolarHBondContact O-N 3.02Å; L132-N134 VanDerWaalsContact C-N 3.25Å; L132-N134 PolarHBondContact O-N 3.49Å; L132-F135 HydrophobicContact CB-CB 4.14Å; L132-F135 WeakPolarHBondContact O-CB 3.33Å; L132-F135 PolarHBondContact O-N 2.87Å; L132-H136 PolarHBondContact O-N 2.82Å; L132-E260 VanDerWaalsContact CD1-O 3.24Å; L132-E260 WeakPolarHBondContact CD1-O 3.31Å; L132-C261 HydrophobicContact CD1-CB 4.07Å; L132-T284 HydrophobicContact CD2-CG2 4.21Å; L132-Y287 HydrophobicContact CD2-CD2 3.78Å; L132-Y287 HydrophobicContact CD2-CE2 4.43Å
133P98.1Very high98Very high38 Ų3830.3 Ų30.325%0.24716%0.159CC..Hα-helixtrans-53.4-41.4175.9-27.834000113.2F135 H136 L137 Q280 Y287P133-F135 VanDerWaalsContact C-N 3.33Å; P133-F135 PolarHBondContact O-N 3.42Å; P133-H136 WeakPolarHBondContact O-CB 3.3Å; P133-H136 PolarHBondContact O-N 2.95Å; P133-L137 WeakPolarHBondContact O-CB 3.15Å; P133-L137 PolarHBondContact O-N 2.85Å; P133-Q280 HydrophobicContact CB-CG 4.47Å; P133-Q280 HydrophobicContact CG-CG 4.35Å; P133-Y287 VanDerWaalsContact CD-CE2 3.47Å; P133-Y287 VanDerWaalsContact CD-CZ 3.45Å; P133-Y287 HydrophobicContact CG-CD1 4.15Å; P133-Y287 HydrophobicContact CG-CE1 3.5Å; P133-Y287 HydrophobicContact CG-CE2 3.97Å; P133-Y287 WeakPolarHBondContact CG-OH 3.41Å
134N98.4Very high97.9Very high1 Ų135 Ų351%0.00518%0.179CC..Hα-helixtrans-71.2-27.7178.7-74.3-28.9000113.1L132 L138 C261 V264 Q278 Q280L132-N134 VanDerWaalsContact C-N 3.25Å; L132-N134 PolarHBondContact O-N 3.49Å; N134-L138 VanDerWaalsContact O-CB 3.3Å; N134-L138 WeakPolarHBondContact O-CB 3.33Å; N134-L138 PolarHBondContact O-N 3.11Å; N134-C261 VanDerWaalsContact C-SG 3.51Å; N134-C261 HydrophobicContact CB-CB 3.92Å; N134-C261 WeakPolarHBondContact CB-O 3Å; N134-C261 PolarHBondContact ND2-O 2.8Å; N134-V264 HydrophobicContact CB-CG2 4.03Å; N134-Q278 PolarHBondContact ND2-O 3.31Å; N134-Q278 PolarHBondContact OD1-N 3.19Å; N134-Q278 PolarHBondContact OD1-O 3.3Å; N134-Q280 VanDerWaalsContact CB-OE1 3.31Å; N134-Q280 VanDerWaalsContact N-OE1 3.12Å; N134-Q280 VanDerWaalsContact ND2-CD 3.26Å; N134-Q280 PolarHBondContact ND2-OE1 3.24Å
135F98.3Very high97.9Very high0 Ų034.6 Ų34.60%018%0.178CC..Hα-helixtrans-74.1-36.3173.1-164.7-92000111.5T129 A130 L132 P133 L138 R139 A196 L197 C261T129-F135 HydrophobicContact CG2-CD2 3.64Å; T129-F135 HydrophobicContact CG2-CE2 3.95Å; T129-F135 HydrophobicContact CG2-CG 4.31Å; T129-F135 WeakPolarHBondContact O-CB 3.42Å; T129-F135 WeakPolarHBondContact O-CG 3.39Å; A130-F135 HydrophobicContact CB-CE1 4.46Å; L132-F135 HydrophobicContact CB-CB 4.14Å; L132-F135 WeakPolarHBondContact O-CB 3.33Å; L132-F135 PolarHBondContact O-N 2.87Å; P133-F135 VanDerWaalsContact C-N 3.33Å; P133-F135 PolarHBondContact O-N 3.42Å; F135-L138 HydrophobicContact CD2-CD2 4.24Å; F135-L138 HydrophobicContact CE2-CD2 4.34Å; F135-L138 WeakPolarHBondContact O-CB 3.49Å; F135-L138 PolarHBondContact O-N 2.84Å; F135-R139 PolarHBondContact O-N 3.07Å; F135-A196 HydrophobicContact CE1-CB 4.06Å; F135-A196 HydrophobicContact CZ-CB 4.09Å; F135-L197 HydrophobicContact CE1-CD2 4.03Å; F135-L197 HydrophobicContact CE1-CG 4.24Å; F135-L197 HydrophobicContact CE2-CD1 4.22Å; F135-L197 HydrophobicContact CE2-CG 4.35Å; F135-L197 HydrophobicContact CZ-CD1 4.04Å; F135-L197 HydrophobicContact CZ-CD2 3.9Å; F135-L197 HydrophobicContact CZ-CG 3.68Å; F135-C261 HydrophobicContact CB-CB 4.4Å
136H97.6Very high97.8Very high96 Ų9635.7 Ų35.744%0.44419%0.193SC..Hα-helixtrans-61.6-47.6170.6-17477.7000111.3L132 P133 L138 R139 Q140L132-H136 PolarHBondContact O-N 2.82Å; P133-H136 WeakPolarHBondContact O-CB 3.3Å; P133-H136 PolarHBondContact O-N 2.95Å; H136-L138 VanDerWaalsContact C-N 3.33Å; H136-L138 PolarHBondContact O-N 3.21Å; H136-R139 WeakPolarHBondContact O-CB 3.32Å; H136-R139 PolarHBondContact O-N 2.86Å; H136-Q140 PolarHBondContact CD2-NE2 3.5Å; H136-Q140 VanDerWaalsContact CD2-NE2 3.32Å; H136-Q140 PolarHBondContact NE2-NE2 3.39Å; H136-Q140 WeakPolarHBondContact O-CG 3.37Å; H136-Q140 PolarHBondContact O-N 2.92Å
137L97.7Very high97.8Very high30 Ų3039.7 Ų39.716%0.15721%0.21CC..Hα-helixtrans-57.7-44.4173.2173.776.5000111.9P133 R139 Q140 A141 V264 L276 Q278P133-L137 WeakPolarHBondContact O-CB 3.15Å; P133-L137 PolarHBondContact O-N 2.85Å; L137-R139 VanDerWaalsContact C-N 3.31Å; L137-R139 PolarHBondContact O-N 2.8Å; L137-Q140 CarbonylContact O-C 3.59Å; L137-Q140 PolarHBondContact O-N 3.11Å; L137-Q140 VanDerWaalsContact O-N 3.17Å; L137-A141 VanDerWaalsContact O-CB 3.31Å; L137-A141 WeakPolarHBondContact O-CB 3.19Å; L137-A141 PolarHBondContact O-N 3.48Å; L137-V264 HydrophobicContact CD2-CB 4.4Å; L137-L276 HydrophobicContact CD2-CB 3.75Å; L137-L276 WeakPolarHBondContact CD2-O 3.35Å; L137-L276 HydrophobicContact CG-CB 4.39Å; L137-Q278 HydrophobicContact CD2-CG 4.29Å
138L98.3Very high97.9Very high0 Ų040.7 Ų40.70%022%0.215CC..Hα-helixtrans-55.9-48.3176.417767.4000110.6N134 F135 H136 Q140 A141 L142 L197 I246 L253 I255 V264N134-L138 VanDerWaalsContact O-CB 3.3Å; N134-L138 WeakPolarHBondContact O-CB 3.33Å; N134-L138 PolarHBondContact O-N 3.11Å; F135-L138 HydrophobicContact CD2-CD2 4.24Å; F135-L138 HydrophobicContact CE2-CD2 4.34Å; F135-L138 WeakPolarHBondContact O-CB 3.49Å; F135-L138 PolarHBondContact O-N 2.84Å; H136-L138 VanDerWaalsContact C-N 3.33Å; H136-L138 PolarHBondContact O-N 3.21Å; L138-Q140 VanDerWaalsContact C-N 3.34Å; L138-Q140 PolarHBondContact O-N 2.77Å; L138-A141 PolarHBondContact O-N 2.74Å; L138-A141 VanDerWaalsContact O-N 3.15Å; L138-L142 PolarHBondContact O-N 3.13Å; L138-L197 HydrophobicContact CD2-CD1 4.02Å; L138-L197 HydrophobicContact CD2-CD2 4.46Å; L138-I246 HydrophobicContact CD1-CD1 4.08Å; L138-I246 HydrophobicContact CD2-CD1 4.31Å; L138-I246 HydrophobicContact CG-CD1 4.39Å; L138-L253 HydrophobicContact CD1-CB 4.02Å; L138-L253 HydrophobicContact CD1-CD1 3.96Å; L138-L253 HydrophobicContact CD1-CG 4.38Å; L138-I255 HydrophobicContact CD1-CD1 3.9Å; L138-I255 HydrophobicContact CD1-CG1 3.75Å; L138-I255 HydrophobicContact CD2-CD1 4.35Å; L138-I255 HydrophobicContact CD2-CG1 3.91Å; L138-I255 HydrophobicContact CG-CG1 4.47Å; L138-V264 HydrophobicContact CD1-CG1 4Å
139R97.7Very high97.9Very high100 Ų10045.1 Ų45.138%0.37723%0.231SC..Hα-helixtrans-59.8-42.6176.7-171.1-174.9-70.6134.7-3111.8F135 H136 L137 A141 L142 A196 L197F135-R139 PolarHBondContact O-N 3.07Å; H136-R139 WeakPolarHBondContact O-CB 3.32Å; H136-R139 PolarHBondContact O-N 2.86Å; L137-R139 VanDerWaalsContact C-N 3.31Å; L137-R139 PolarHBondContact O-N 2.8Å; R139-A141 VanDerWaalsContact C-N 3.32Å; R139-A141 PolarHBondContact O-N 2.66Å; R139-L142 WeakPolarHBondContact O-CB 3.38Å; R139-L142 PolarHBondContact O-N 3.38Å; R139-A196 PolarHBondContact NH2-O 3.13Å; R139-L197 HydrophobicContact CB-CD2 4.08Å; R139-L197 HydrophobicContact CG-CD2 4.39Å
140Q97.9Very high98Very high123 Ų12350 Ų5058%0.57525%0.253SS*.Hα-helixtrans-67.3-31.6176.1-69.1-179.2-15.400113H136 L137 L138 P143H136-Q140 PolarHBondContact CD2-NE2 3.5Å; H136-Q140 VanDerWaalsContact CD2-NE2 3.32Å; H136-Q140 PolarHBondContact NE2-NE2 3.39Å; H136-Q140 WeakPolarHBondContact O-CG 3.37Å; H136-Q140 PolarHBondContact O-N 2.92Å; L137-Q140 CarbonylContact O-C 3.59Å; L137-Q140 PolarHBondContact O-N 3.11Å; L137-Q140 VanDerWaalsContact O-N 3.17Å; L138-Q140 VanDerWaalsContact C-N 3.34Å; L138-Q140 PolarHBondContact O-N 2.77Å; Q140-P143 VanDerWaalsContact O-CD 3.3Å; Q140-P143 WeakPolarHBondContact O-CD 3.4Å
141A97.9Very high98.1Very high4 Ų448.6 Ų48.63%0.03324%0.241CC..Hα-helixtrans-83.4-16.1-179.500000113.2L137 L138 R139 P143 K144 L253 L276L137-A141 VanDerWaalsContact O-CB 3.31Å; L137-A141 WeakPolarHBondContact O-CB 3.19Å; L137-A141 PolarHBondContact O-N 3.48Å; L138-A141 PolarHBondContact O-N 2.74Å; L138-A141 VanDerWaalsContact O-N 3.15Å; R139-A141 VanDerWaalsContact C-N 3.32Å; R139-A141 PolarHBondContact O-N 2.66Å; A141-P143 VanDerWaalsContact C-CD 3.41Å; A141-P143 VanDerWaalsContact C-N 3.31Å; A141-K144 HydrophobicContact CB-CD 4.48Å; A141-K144 WeakPolarHBondContact O-CB 3.25Å; A141-K144 WeakPolarHBondContact O-CG 3.14Å; A141-K144 PolarHBondContact O-N 2.88Å; A141-L253 HydrophobicContact CB-CD1 4.25Å; A141-L253 HydrophobicContact CB-CD2 3.88Å; A141-L276 HydrophobicContact CB-CD1 3.89Å
142L98.1Very high98.1Very high26 Ų2649.5 Ų49.514%0.13624%0.242CC..G310 helixtrans-45.9-46179-81.2177.2000113.6L138 R139 K144 V145 L197 F198 I246 L253L138-L142 PolarHBondContact O-N 3.13Å; R139-L142 WeakPolarHBondContact O-CB 3.38Å; R139-L142 PolarHBondContact O-N 3.38Å; L142-K144 PolarHBondContact O-N 2.77Å; L142-V145 WeakPolarHBondContact O-CG2 3.24Å; L142-V145 PolarHBondContact O-N 2.72Å; L142-L197 HydrophobicContact CD1-CB 4.41Å; L142-L197 HydrophobicContact CD1-CD2 3.94Å; L142-F198 HydrophobicContact CD1-CE1 4.24Å; L142-F198 HydrophobicContact CD2-CE1 4.11Å; L142-F198 HydrophobicContact CD2-CZ 4.44Å; L142-I246 HydrophobicContact CD2-CD1 3.74Å; L142-I246 HydrophobicContact CD2-CG2 3.88Å; L142-L253 HydrophobicContact CD2-CD1 4.21Å
143P98.1Very high98.2Very high104 Ų10449.5 Ų49.568%0.67524%0.242SC*.G310 helixtrans-58.9-22.5179.2-25.636.7000114.5Q140 A141 V145 G146Q140-P143 VanDerWaalsContact O-CD 3.3Å; Q140-P143 WeakPolarHBondContact O-CD 3.4Å; A141-P143 VanDerWaalsContact C-CD 3.41Å; A141-P143 VanDerWaalsContact C-N 3.31Å; P143-V145 VanDerWaalsContact C-N 3.27Å; P143-V145 PolarHBondContact O-N 2.89Å; P143-G146 PolarHBondContact O-N 2.92Å
144K97.8Very high98.1Very high98 Ų9848.2 Ų48.243%0.42623%0.233SC..G310 helixtrans-65.2-26.3-179.9-62.8-171.4173.9-167.10113.5A141 L142 G146 F266A141-K144 HydrophobicContact CB-CD 4.48Å; A141-K144 WeakPolarHBondContact O-CB 3.25Å; A141-K144 WeakPolarHBondContact O-CG 3.14Å; A141-K144 PolarHBondContact O-N 2.88Å; L142-K144 PolarHBondContact O-N 2.77Å; K144-G146 PolarHBondContact O-N 2.62Å; K144-F266 HydrophobicContact CB-CD1 4.49Å; K144-F266 HydrophobicContact CB-CD2 4.2Å; K144-F266 HydrophobicContact CB-CE1 4.11Å; K144-F266 HydrophobicContact CB-CE2 3.83Å; K144-F266 HydrophobicContact CB-CZ 3.78Å; K144-F266 HydrophobicContact CD-CD1 4.08Å; K144-F266 HydrophobicContact CD-CE1 4.27Å; K144-F266 HydrophobicContact CD-CG 4.36Å; K144-F266 WeakPolarHBondContact O-CZ 3.44Å
145V98.1Very high98.1Very high0 Ų050.1 Ų50.10%024%0.241CC..G310 helixtrans-77.6-6.7-179.6-49.70000112.7L142 P143 L148 G248 E249 A250 L253 F266L142-V145 WeakPolarHBondContact O-CG2 3.24Å; L142-V145 PolarHBondContact O-N 2.72Å; P143-V145 VanDerWaalsContact C-N 3.27Å; P143-V145 PolarHBondContact O-N 2.89Å; V145-L148 HydrophobicContact CG2-CD2 3.5Å; V145-L148 HydrophobicContact CG2-CG 4.4Å; V145-G248 CarbonylContact O-C 3.35Å; V145-G248 WeakPolarHBondContact O-CA 3.43Å; V145-E249 PolarHBondContact O-N 2.82Å; V145-A250 PolarHBondContact O-N 3.45Å; V145-L253 HydrophobicContact CG1-CB 4.39Å; V145-L253 HydrophobicContact CG1-CD1 3.67Å; V145-L253 HydrophobicContact CG1-CG 3.66Å; V145-F266 HydrophobicContact CG1-CD2 4.38Å; V145-F266 HydrophobicContact CG1-CE2 4.15Å
146G98Very high98.1Very high37 Ų3750.5 Ų50.538%0.38124%0.243SC..  trans72.4-149.1-176.100000111.9P143 K144 L148P143-G146 PolarHBondContact O-N 2.92Å; K144-G146 PolarHBondContact O-N 2.62Å; G146-L148 PolarHBondContact O-N 3.29Å; G146-L148 VanDerWaalsContact O-N 3.15Å
147K97.9Very high98.2Very high86 Ų8650.3 Ų50.337%0.37424%0.243SC..SBendtrans-62.7119177.8-178.6166.9-179.4167.30109.7D227 G248 E249K147-D227 WeakPolarHBondContact CE-OD1 3.37Å; K147-D227 IonicContact NZ-OD1 2.98Å; K147-D227 PolarHBondContact NZ-OD1 2.98Å; K147-D227 IonicContact NZ-OD2 3.47Å; K147-G248 CarbonylContact O-C 3.58Å; K147-G248 WeakPolarHBondContact O-CA 3.13Å; K147-E249 HydrophobicContact CB-CG 4.13Å; K147-E249 PolarHBondContact O-N 2.81Å
148L98.3Very high98.2Very high33 Ų3353.1 Ų53.117%0.17325%0.252CS..EExtended strand (participates in β ladder)trans-60.9141.2176.2-71.4173.1000110.7V145 G146 F198 F228 I246V145-L148 HydrophobicContact CG2-CD2 3.5Å; V145-L148 HydrophobicContact CG2-CG 4.4Å; G146-L148 PolarHBondContact O-N 3.29Å; G146-L148 VanDerWaalsContact O-N 3.15Å; L148-F198 HydrophobicContact CD1-CD1 4.17Å; L148-F198 HydrophobicContact CD1-CE1 3.8Å; L148-F228 HydrophobicContact CB-CB 4.07Å; L148-F228 HydrophobicContact CB-CD1 3.88Å; L148-F228 HydrophobicContact CB-CD2 4.33Å; L148-F228 HydrophobicContact CB-CE1 4.41Å; L148-F228 HydrophobicContact CB-CG 3.84Å; L148-F228 HydrophobicContact CD1-CD1 4.28Å; L148-F228 HydrophobicContact CD1-CE1 3.97Å; L148-F228 HydrophobicContact CD1-CE2 4.2Å; L148-F228 HydrophobicContact CD1-CZ 3.92Å; L148-I246 HydrophobicContact CD2-CG2 3.43Å; L148-I246 VanDerWaalsContact CD2-CG2 3.43Å
149R98.1Very high98.1Very high115 Ų11553.6 Ų53.643%0.43426%0.255SS..EExtended strand (participates in β ladder)trans-128.6-41.1178.7-65.2-59.2-177.2178.88.7112.7F228 Q247 E249R149-F228 WeakPolarHBondContact O-CB 3.47Å; R149-Q247 PolarHBondContact N-O 3.14Å; R149-E249 HydrophobicContact CG-CG 4.23Å; R149-E249 IonicContact CZ-OE1 2.74Å; R149-E249 IonicContact NE-OE1 2.87Å; R149-E249 PolarHBondContact NE-OE1 2.76Å; R149-E249 IonicContact NH2-OE1 3.48Å; R149-E249 PolarHBondContact NH2-OE1 2.96Å
150K98.4Very high98.1Very high102 Ų10254.1 Ų54.144%0.44327%0.274SS..EExtended strand (participates in β ladder)trans-153.4144.2-179.2-163.9164.8-175.3174.70111.5Q247K150-Q247 HydrophobicContact CB-CB 4.43Å; K150-Q247 PolarHBondContact N-O 2.84Å; K150-Q247 WeakPolarHBondContact O-CA 3.43Å; K150-Q247 WeakPolarHBondContact O-CB 3.25Å; K150-Q247 PolarHBondContact O-N 3.37Å
151V98.9Very high98Very high0 Ų053.3 Ų53.30%027%0.266CS..EExtended strand (participates in β ladder)trans-127.4137.5171.2179.60000108.5F153 F198 F228 S229 V230 T231 E245 I246V151-F153 HydrophobicContact CG1-CD1 3.72Å; V151-F153 HydrophobicContact CG1-CD2 4.21Å; V151-F153 HydrophobicContact CG1-CE1 3.44Å; V151-F153 VanDerWaalsContact CG1-CE1 3.44Å; V151-F153 HydrophobicContact CG1-CE2 3.95Å; V151-F153 HydrophobicContact CG1-CG 4.12Å; V151-F153 HydrophobicContact CG1-CZ 3.56Å; V151-F198 HydrophobicContact CB-CE2 4.45Å; V151-F198 HydrophobicContact CG1-CE2 4.13Å; V151-F198 HydrophobicContact CG2-CE2 3.87Å; V151-F198 HydrophobicContact CG2-CZ 3.79Å; V151-F228 HydrophobicContact CG2-CD2 4.13Å; V151-F228 HydrophobicContact CG2-CE2 4.23Å; V151-S229 PolarHBondContact N-O 3.43Å; V151-V230 HydrophobicContact CB-CB 4.2Å; V151-V230 HydrophobicContact CB-CG1 4.1Å; V151-V230 HydrophobicContact CB-CG2 3.87Å; V151-V230 HydrophobicContact CG1-CG1 3.96Å; V151-V230 HydrophobicContact CG1-CG2 4.33Å; V151-V230 HydrophobicContact CG2-CG2 4.2Å; V151-V230 CarbonylContact O-C 3.5Å; V151-V230 WeakPolarHBondContact O-CA 3.2Å; V151-T231 PolarHBondContact O-N 2.99Å; V151-E245 CarbonylContact C-O 3.55Å; V151-E245 WeakPolarHBondContact CA-O 3.33Å; V151-I246 HydrophobicContact CG1-CG1 3.97Å; V151-I246 HydrophobicContact CG2-CB 4.41Å; V151-I246 HydrophobicContact CG2-CG1 4.29Å; V151-I246 HydrophobicContact CG2-CG2 4.05Å
152F98.9Very high98Very high46 Ų4654.9 Ų54.920%0.20227%0.271CS..EExtended strand (participates in β ladder)trans-127.3116.1172.7177-107.4000109.2N154 T231 Q233 L242 S244 E245F152-N154 HydrophobicContact CD1-CB 4.4Å; F152-N154 HydrophobicContact CE1-CB 3.59Å; F152-N154 HydrophobicContact CZ-CB 3.85Å; F152-T231 CarbonylContact C-O 3.58Å; F152-T231 WeakPolarHBondContact CA-O 3.32Å; F152-T231 HydrophobicContact CD2-CG2 4.19Å; F152-T231 HydrophobicContact CE2-CG2 4.45Å; F152-Q233 HydrophobicContact CE2-CB 3.9Å; F152-Q233 HydrophobicContact CZ-CB 3.96Å; F152-L242 HydrophobicContact CE1-CB 4.39Å; F152-L242 HydrophobicContact CE1-CD1 4.16Å; F152-L242 HydrophobicContact CZ-CD1 4.31Å; F152-S244 CarbonylContact O-C 3.55Å; F152-S244 VanDerWaalsContact O-CA 3.28Å; F152-S244 WeakPolarHBondContact O-CA 3.3Å; F152-E245 PolarHBondContact N-O 3.48Å; F152-E245 PolarHBondContact O-N 2.87Å
153F98.8Very high98Very high0 Ų058.2 Ų58.20%029%0.286CS..EExtended strand (participates in β ladder)trans-111.8128174.1-68.2-21.4000110V151 C190 A194 L197 F198 V230 T231 L232 Q233 S244 I246 L258V151-F153 HydrophobicContact CG1-CD1 3.72Å; V151-F153 HydrophobicContact CG1-CD2 4.21Å; V151-F153 HydrophobicContact CG1-CE1 3.44Å; V151-F153 VanDerWaalsContact CG1-CE1 3.44Å; V151-F153 HydrophobicContact CG1-CE2 3.95Å; V151-F153 HydrophobicContact CG1-CG 4.12Å; V151-F153 HydrophobicContact CG1-CZ 3.56Å; F153-C190 HydrophobicContact CB-CB 3.91Å; F153-C190 WeakPolarHBondContact CD2-O 3.22Å; F153-A194 HydrophobicContact CD2-CB 4.07Å; F153-A194 HydrophobicContact CE2-CB 3.92Å; F153-L197 HydrophobicContact CE2-CD1 4.24Å; F153-L197 HydrophobicContact CZ-CD1 3.74Å; F153-F198 HydrophobicContact CE2-CE2 4.31Å; F153-F198 HydrophobicContact CZ-CE2 4.24Å; F153-V230 HydrophobicContact CD2-CG1 4.36Å; F153-T231 PolarHBondContact N-O 3.34Å; F153-L232 HydrophobicContact CB-CD2 3.86Å; F153-L232 HydrophobicContact CD2-CD2 4.12Å; F153-L232 HydrophobicContact CG-CD2 4.44Å; F153-L232 CarbonylContact O-C 3.34Å; F153-L232 VanDerWaalsContact O-CA 3.28Å; F153-L232 WeakPolarHBondContact O-CA 3.27Å; F153-Q233 PolarHBondContact O-N 3.13Å; F153-S244 WeakPolarHBondContact CA-OG 3.25Å; F153-I246 HydrophobicContact CE1-CD1 4.11Å; F153-I246 HydrophobicContact CE1-CG1 3.82Å; F153-I246 HydrophobicContact CZ-CD1 4.06Å; F153-I246 HydrophobicContact CZ-CG1 4.12Å; F153-L258 HydrophobicContact CB-CD2 3.75Å; F153-L258 HydrophobicContact CD1-CD2 3.8Å; F153-L258 HydrophobicContact CD2-CD2 3.86Å; F153-L258 HydrophobicContact CE1-CD1 4.49Å; F153-L258 HydrophobicContact CE1-CD2 4.31Å; F153-L258 HydrophobicContact CE2-CD2 4.37Å; F153-L258 HydrophobicContact CG-CD2 3.54Å
154N97.9Very high98Very high12 Ų1259.1 Ų59.16%0.06428%0.276CS..EExtended strand (participates in β ladder)trans-123.5131.5-175.6167.466.9000110.4F152 C156 Q233 S240 L242 S244F152-N154 HydrophobicContact CD1-CB 4.4Å; F152-N154 HydrophobicContact CE1-CB 3.59Å; F152-N154 HydrophobicContact CZ-CB 3.85Å; N154-C156 PolarHBondContact OD1-SG 3.11Å; N154-Q233 WeakPolarHBondContact CA-O 3.41Å; N154-S240 WeakPolarHBondContact ND2-CB 3.28Å; N154-S240 PolarHBondContact ND2-OG 2.95Å; N154-S240 PolarHBondContact OD1-OG 3.42Å; N154-L242 PolarHBondContact ND2-O 2.96Å; N154-S244 PolarHBondContact N-OG 3.47Å; N154-S244 VanDerWaalsContact N-OG 3.13Å
155Y98.2Very high98Very high41 Ų4156.2 Ų56.216%0.16126%0.262CS..EExtended strand (participates in β ladder)trans-146.392.1162.9-163.4174.5000110.5Q157 I186 Y189 C190 Q233 H234 S235Y155-Q157 HydrophobicContact CE2-CB 4.17Å; Y155-Q157 PolarHBondContact OH-OE1 3.35Å; Y155-I186 HydrophobicContact CD1-CB 3.8Å; Y155-I186 HydrophobicContact CD1-CG2 4.27Å; Y155-I186 WeakPolarHBondContact CD1-O 3.37Å; Y155-I186 HydrophobicContact CD2-CB 4.39Å; Y155-I186 HydrophobicContact CE1-CB 4.02Å; Y155-I186 HydrophobicContact CE1-CG2 3.96Å; Y155-I186 HydrophobicContact CE2-CG2 4.35Å; Y155-I186 HydrophobicContact CG-CB 4Å; Y155-I186 WeakPolarHBondContact O-CD1 3.4Å; Y155-Y189 AromaticContact CD1-CD2 3.97Å; Y155-Y189 HydrophobicContact CD1-CD2 3.97Å; Y155-Y189 HydrophobicContact CD1-CG 4.33Å; Y155-Y189 AromaticContact CE1-CD2 3.68Å; Y155-Y189 HydrophobicContact CE1-CD2 3.68Å; Y155-Y189 HydrophobicContact CE1-CE2 4.17Å; Y155-Y189 HydrophobicContact CE1-CG 4.26Å; Y155-C190 VanDerWaalsContact CB-SG 3.52Å; Y155-Q233 PolarHBondContact N-O 3.33Å; Y155-H234 VanDerWaalsContact O-CA 3.28Å; Y155-H234 WeakPolarHBondContact O-CA 3.4Å; Y155-S235 PolarHBondContact O-N 2.96Å
156C98.4Very high98Very high7 Ų760.4 Ų60.45%0.04728%0.284CS..EExtended strand (participates in β ladder)trans-116.2125.8172-55.20000109.7N154 S235 S238 S240N154-C156 PolarHBondContact OD1-SG 3.11Å; C156-S235 CarbonylContact C-O 3.52Å; C156-S235 WeakPolarHBondContact CA-O 3.48Å; C156-S238 CarbonylContact C-O 3.6Å; C156-S238 WeakPolarHBondContact CB-O 3.45Å; C156-S240 PolarHBondContact O-N 3.08Å; C156-S240 VanDerWaalsContact O-N 3.08Å
157Q98Very high98Very high93 Ų9363.9 Ų63.944%0.43529%0.294SS..  trans-146.6127.2177.6-175.9178.1-6.200109.7Y155 S159 S235 K236 S238 D239Y155-Q157 HydrophobicContact CE2-CB 4.17Å; Y155-Q157 PolarHBondContact OH-OE1 3.35Å; Q157-S159 PolarHBondContact O-N 3.41Å; Q157-S159 VanDerWaalsContact O-N 3.14Å; Q157-S235 PolarHBondContact N-O 2.95Å; Q157-K236 CarbonylContact O-C 3.27Å; Q157-K236 WeakPolarHBondContact O-CA 3.26Å; Q157-S238 CarbonylContact C-O 3.6Å; Q157-S238 VanDerWaalsContact C-O 3.27Å; Q157-S238 WeakPolarHBondContact CA-O 3.49Å; Q157-S238 PolarHBondContact N-O 2.91Å; Q157-D239 WeakPolarHBondContact CA-OD1 3.3Å
158Y97.8Very high98Very high89 Ų8963 Ų6335%0.34931%0.31SS..  trans-63.4116.1175.4-166.8-83.4000109.7S160 Y162 V237 S238 D239Y158-S160 PolarHBondContact O-N 3.04Å; Y158-Y162 HydrophobicContact CD2-CD1 4.43Å; Y158-Y162 HydrophobicContact CE1-CD1 4.25Å; Y158-Y162 AromaticContact CE2-CD1 3.62Å; Y158-Y162 HydrophobicContact CE2-CD1 3.62Å; Y158-Y162 HydrophobicContact CE2-CE1 4.2Å; Y158-Y162 AromaticContact CZ-CD1 3.53Å; Y158-Y162 WeakPolarHBondContact OH-CD1 3.4Å; Y158-V237 WeakPolarHBondContact CD2-O 3.34Å; Y158-S238 PolarHBondContact N-O 2.54Å; Y158-D239 VanDerWaalsContact CB-OD2 3.31Å; Y158-D239 WeakPolarHBondContact CB-OD2 3.34Å; Y158-D239 PolarHBondContact N-OD1 2.74Å
159S98Very high97.9Very high9 Ų965.4 Ų65.46%0.06332%0.32CS..  trans-68.6133.4-176.9-171.80000110.8Q157 R161 Y162 K236Q157-S159 PolarHBondContact O-N 3.41Å; Q157-S159 VanDerWaalsContact O-N 3.14Å; S159-R161 PolarHBondContact O-N 3.09Å; S159-R161 PolarHBondContact OG-N 3.45Å; S159-Y162 WeakPolarHBondContact O-CB 3.42Å; S159-Y162 PolarHBondContact O-N 3.06Å; S159-K236 WeakPolarHBondContact CB-O 3.29Å; S159-K236 PolarHBondContact N-O 3.05Å
160S96.6Very high97.8Very high112 Ų11264.3 Ų64.378%0.78332%0.323SS*.THydrogen-bonded Turntrans-57.9-16.116858.50000113.6Y158Y158-S160 PolarHBondContact O-N 3.04Å
161R96.6Very high97.7Very high106 Ų10660 Ų6040%0.431%0.306SS..THydrogen-bonded Turntrans-91.8-9.5177.2-62171.8179.9146.92.4113S159 R164 Y165 P171 T173 F174S159-R161 PolarHBondContact O-N 3.09Å; S159-R161 PolarHBondContact OG-N 3.45Å; R161-R164 PolarHBondContact O-N 3.34Å; R161-Y165 PolarHBondContact O-N 3.07Å; R161-Y165 VanDerWaalsContact O-N 3.17Å; R161-P171 HydrophobicContact CB-CB 4.22Å; R161-P171 HydrophobicContact CB-CG 4.3Å; R161-T173 VanDerWaalsContact CD-OG1 3.26Å; R161-T173 WeakPolarHBondContact CD-OG1 3.32Å; R161-T173 PolarHBondContact NH1-OG1 2.84Å; R161-F174 HydrophobicContact CB-CE2 4.12Å
162Y98Very high97.6Very high37 Ų3763.1 Ų63.115%0.14532%0.322CS..Hα-helixtrans-72.5-36.8-172.1-171.2-131.2000112Y158 S159 R164 Y165 L166 F174 L211 V237Y158-Y162 HydrophobicContact CD2-CD1 4.43Å; Y158-Y162 HydrophobicContact CE1-CD1 4.25Å; Y158-Y162 AromaticContact CE2-CD1 3.62Å; Y158-Y162 HydrophobicContact CE2-CD1 3.62Å; Y158-Y162 HydrophobicContact CE2-CE1 4.2Å; Y158-Y162 AromaticContact CZ-CD1 3.53Å; Y158-Y162 WeakPolarHBondContact OH-CD1 3.4Å; S159-Y162 WeakPolarHBondContact O-CB 3.42Å; S159-Y162 PolarHBondContact O-N 3.06Å; Y162-R164 PolarHBondContact O-N 2.54Å; Y162-Y165 HydrophobicContact CD2-CD1 4.01Å; Y162-Y165 AromaticContact CE2-CD1 3.78Å; Y162-Y165 HydrophobicContact CE2-CD1 3.78Å; Y162-Y165 HydrophobicContact CE2-CE1 4.32Å; Y162-Y165 WeakPolarHBondContact O-CB 3.22Å; Y162-Y165 PolarHBondContact O-N 3.19Å; Y162-Y165 VanDerWaalsContact O-N 3.15Å; Y162-L166 HydrophobicContact CD1-CD1 4.17Å; Y162-L166 HydrophobicContact CE1-CD1 3.9Å; Y162-L166 HydrophobicContact CE1-CD2 4.39Å; Y162-L166 HydrophobicContact CE1-CG 4.27Å; Y162-L166 HydrophobicContact CE2-CD2 4.13Å; Y162-L166 HydrophobicContact CE2-CG 4.28Å; Y162-L166 WeakPolarHBondContact O-CG 3.37Å; Y162-L166 PolarHBondContact O-N 2.9Å; Y162-F174 HydrophobicContact CD2-CD2 4.45Å; Y162-F174 HydrophobicContact CD2-CE1 4.32Å; Y162-F174 AromaticContact CD2-CE2 3.9Å; Y162-F174 HydrophobicContact CD2-CE2 3.9Å; Y162-F174 AromaticContact CD2-CZ 3.79Å; Y162-F174 HydrophobicContact CD2-CZ 3.79Å; Y162-F174 HydrophobicContact CG-CE2 4.33Å; Y162-F174 HydrophobicContact CG-CZ 4.2Å; Y162-L211 HydrophobicContact CE2-CD1 4.25Å; Y162-L211 HydrophobicContact CE2-CD2 3.89Å; Y162-V237 HydrophobicContact CD1-CB 4.03Å; Y162-V237 HydrophobicContact CD1-CG1 3.88Å; Y162-V237 HydrophobicContact CD2-CG1 3.65Å; Y162-V237 HydrophobicContact CE1-CB 3.66Å; Y162-V237 HydrophobicContact CE1-CG1 3.63Å; Y162-V237 HydrophobicContact CE2-CB 4.32Å; Y162-V237 HydrophobicContact CE2-CG1 3.38Å; Y162-V237 HydrophobicContact CG-CG1 3.91Å
163Q97.6Very high97.5Very high96 Ų9661 Ų6145%0.44931%0.313SS..Hα-helixtrans-59.2-46.9174.1-171.457.950.700111.6Y165 L166 D167Q163-Y165 VanDerWaalsContact C-N 3.26Å; Q163-Y165 PolarHBondContact O-N 3.21Å; Q163-L166 CarbonylContact O-C 3.55Å; Q163-L166 WeakPolarHBondContact O-CA 3.47Å; Q163-L166 WeakPolarHBondContact O-CB 3.43Å; Q163-L166 PolarHBondContact O-N 3.1Å; Q163-D167 PolarHBondContact NE2-OD1 3.27Å; Q163-D167 PolarHBondContact O-N 3.05Å
164R97.7Very high97.4Very high122 Ų12261 Ų6146%0.4631%0.313SS..Hα-helixtrans-57.4-39.2175.7-68.5177.162.4-172.4-3.4112.6R161 Y162 D167 G168 E169R161-R164 PolarHBondContact O-N 3.34Å; Y162-R164 PolarHBondContact O-N 2.54Å; R164-D167 PolarHBondContact O-N 3.36Å; R164-G168 PolarHBondContact O-N 2.64Å; R164-E169 HydrophobicContact CB-CB 4.32Å; R164-E169 HydrophobicContact CB-CG 4.39Å; R164-E169 WeakPolarHBondContact CB-OE1 3.49Å; R164-E169 VanDerWaalsContact CG-OE1 3.31Å; R164-E169 WeakPolarHBondContact CG-OE1 3.29Å; R164-E169 IonicContact CZ-OE1 3.87Å; R164-E169 IonicContact CZ-OE2 2.64Å; R164-E169 VanDerWaalsContact CZ-OE2 3.27Å; R164-E169 VanDerWaalsContact NE-CD 3.34Å; R164-E169 IonicContact NE-OE1 3.14Å; R164-E169 PolarHBondContact NE-OE1 2.97Å; R164-E169 IonicContact NE-OE2 3.8Å; R164-E169 PolarHBondContact NE-OE2 3.14Å; R164-E169 IonicContact NH2-OE1 2.96Å; R164-E169 IonicContact NH2-OE2 3.72Å; R164-E169 PolarHBondContact NH2-OE2 2.98Å; R164-E169 WeakPolarHBondContact O-CB 3.5Å; R164-E169 PolarHBondContact O-N 2.87Å
165Y98Very high97.4Very high37 Ų3761.4 Ų61.415%0.14532%0.315CS..Hα-helixtrans-63-44.5173.4173.1-90000112.1R161 Y162 Q163 D167 G168 F174 L211 A212 S213R161-Y165 PolarHBondContact O-N 3.07Å; R161-Y165 VanDerWaalsContact O-N 3.17Å; Y162-Y165 HydrophobicContact CD2-CD1 4.01Å; Y162-Y165 AromaticContact CE2-CD1 3.78Å; Y162-Y165 HydrophobicContact CE2-CD1 3.78Å; Y162-Y165 HydrophobicContact CE2-CE1 4.32Å; Y162-Y165 WeakPolarHBondContact O-CB 3.22Å; Y162-Y165 PolarHBondContact O-N 3.19Å; Y162-Y165 VanDerWaalsContact O-N 3.15Å; Q163-Y165 VanDerWaalsContact C-N 3.26Å; Q163-Y165 PolarHBondContact O-N 3.21Å; Y165-D167 VanDerWaalsContact C-N 3.26Å; Y165-D167 PolarHBondContact O-N 3.21Å; Y165-G168 PolarHBondContact O-N 3.37Å; Y165-G168 VanDerWaalsContact O-N 3.08Å; Y165-F174 HydrophobicContact CD2-CB 3.61Å; Y165-F174 HydrophobicContact CD2-CD2 4.43Å; Y165-F174 HydrophobicContact CD2-CG 4.27Å; Y165-F174 HydrophobicContact CE2-CB 4.08Å; Y165-F174 HydrophobicContact CG-CB 4.14Å; Y165-F174 HydrophobicContact CG-CD2 4.16Å; Y165-F174 HydrophobicContact CG-CG 4.31Å; Y165-L211 HydrophobicContact CD1-CD1 4.23Å; Y165-L211 HydrophobicContact CE1-CB 4.29Å; Y165-L211 HydrophobicContact CE1-CD1 3.91Å; Y165-L211 HydrophobicContact CE1-CD2 4.03Å; Y165-L211 HydrophobicContact CE1-CG 4.3Å; Y165-L211 HydrophobicContact CE2-CD1 4.36Å; Y165-A212 PolarHBondContact OH-N 3.14Å; Y165-S213 PolarHBondContact OH-N 3.42Å
166L97.7Very high97.4Very high89 Ų8960.8 Ų60.847%0.46632%0.316SS..Hα-helixtrans-64.3-31.8176-65.3176.2000112.5Y162 Q163 G168Y162-L166 HydrophobicContact CD1-CD1 4.17Å; Y162-L166 HydrophobicContact CE1-CD1 3.9Å; Y162-L166 HydrophobicContact CE1-CD2 4.39Å; Y162-L166 HydrophobicContact CE1-CG 4.27Å; Y162-L166 HydrophobicContact CE2-CD2 4.13Å; Y162-L166 HydrophobicContact CE2-CG 4.28Å; Y162-L166 WeakPolarHBondContact O-CG 3.37Å; Y162-L166 PolarHBondContact O-N 2.9Å; Q163-L166 CarbonylContact O-C 3.55Å; Q163-L166 WeakPolarHBondContact O-CA 3.47Å; Q163-L166 WeakPolarHBondContact O-CB 3.43Å; Q163-L166 PolarHBondContact O-N 3.1Å; L166-G168 PolarHBondContact O-N 2.9Å
167D98Very high97.3Very high109 Ų10962.7 Ų62.758%0.58333%0.333SS*.THydrogen-bonded Turntrans-75.63.1175.7-57.7-24.3000112.7Q163 R164 Y165Q163-D167 PolarHBondContact NE2-OD1 3.27Å; Q163-D167 PolarHBondContact O-N 3.05Å; R164-D167 PolarHBondContact O-N 3.36Å; Y165-D167 VanDerWaalsContact C-N 3.26Å; Y165-D167 PolarHBondContact O-N 3.21Å
168G97.2Very high97.3Very high69 Ų6961 Ų6171%0.71132%0.324SS*.THydrogen-bonded Turntrans93.84.2174.900000115R164 Y165 L166R164-G168 PolarHBondContact O-N 2.64Å; Y165-G168 PolarHBondContact O-N 3.37Å; Y165-G168 VanDerWaalsContact O-N 3.08Å; L166-G168 PolarHBondContact O-N 2.9Å
169E97.7Very high97.4Very high83 Ų8356.8 Ų56.839%0.38831%0.307SS..  trans-74.6164.6170.3-56.7-173-122.400111.8R164 P171R164-E169 HydrophobicContact CB-CB 4.32Å; R164-E169 HydrophobicContact CB-CG 4.39Å; R164-E169 WeakPolarHBondContact CB-OE1 3.49Å; R164-E169 VanDerWaalsContact CG-OE1 3.31Å; R164-E169 WeakPolarHBondContact CG-OE1 3.29Å; R164-E169 IonicContact CZ-OE1 3.87Å; R164-E169 IonicContact CZ-OE2 2.64Å; R164-E169 VanDerWaalsContact CZ-OE2 3.27Å; R164-E169 VanDerWaalsContact NE-CD 3.34Å; R164-E169 IonicContact NE-OE1 3.14Å; R164-E169 PolarHBondContact NE-OE1 2.97Å; R164-E169 IonicContact NE-OE2 3.8Å; R164-E169 PolarHBondContact NE-OE2 3.14Å; R164-E169 IonicContact NH2-OE1 2.96Å; R164-E169 IonicContact NH2-OE2 3.72Å; R164-E169 PolarHBondContact NH2-OE2 2.98Å; R164-E169 WeakPolarHBondContact O-CB 3.5Å; R164-E169 PolarHBondContact O-N 2.87Å; E169-P171 VanDerWaalsContact O-CD 3.28Å; E169-P171 WeakPolarHBondContact O-CD 3.4Å
170N94.5Very high97.3Very high91 Ų9156.9 Ų56.949%0.48731%0.307SS..  trans-120.565.3179.1-167.815.8000112.2N175N170-N175 PolarHBondContact ND2-ND2 3.41Å; N170-N175 WeakPolarHBondContact OD1-CB 3.37Å
171P97.2Very high97.4Very high12 Ų1251.5 Ų51.58%0.07827%0.27CS..  trans-64.7145.7-177.229.5-37.2000111.6R161 E169 T173 F174 N175R161-P171 HydrophobicContact CB-CB 4.22Å; R161-P171 HydrophobicContact CB-CG 4.3Å; E169-P171 VanDerWaalsContact O-CD 3.28Å; E169-P171 WeakPolarHBondContact O-CD 3.4Å; P171-T173 PolarHBondContact O-N 3.48Å; P171-F174 HydrophobicContact CG-CB 4.41Å; P171-F174 HydrophobicContact CG-CD2 3.85Å; P171-F174 PolarHBondContact O-N 3.28Å; P171-N175 PolarHBondContact O-N 3.03Å
172N96.7Very high97.5Very high65 Ų6546.5 Ų46.535%0.34825%0.251SS..G310 helixtrans-49.3-36.3-176-63.816.7000114.1F174 N175 F178 N180N172-F174 PolarHBondContact O-N 2.78Å; N172-N175 PolarHBondContact O-N 3.28Å; N172-F178 HydrophobicContact CB-CB 4.03Å; N172-F178 HydrophobicContact CB-CD1 4.46Å; N172-F178 HydrophobicContact CB-CD2 3.76Å; N172-F178 HydrophobicContact CB-CE2 4.3Å; N172-F178 HydrophobicContact CB-CG 3.83Å; N172-F178 VanDerWaalsContact OD1-CE2 3.23Å; N172-F178 WeakPolarHBondContact OD1-CE2 3.32Å; N172-N180 WeakPolarHBondContact O-CB 3.45Å
173T96Very high97.5Very high2 Ų244.8 Ų44.81%0.01224%0.244CC..G310 helixtrans-62.7-27179.5-61.80000114.3R161 P171 G181 K236R161-T173 VanDerWaalsContact CD-OG1 3.26Å; R161-T173 WeakPolarHBondContact CD-OG1 3.32Å; R161-T173 PolarHBondContact NH1-OG1 2.84Å; P171-T173 PolarHBondContact O-N 3.48Å; T173-G181 PolarHBondContact O-N 3.44Å; T173-K236 HydrophobicContact CG2-CD 3.56Å
174F98Very high97.5Very high0 Ų040.2 Ų40.20%022%0.223CC..G310 helixtrans-113.919.7179.9-59.9-60.9000112.5R161 Y162 Y165 P171 N172 L211 S213 V215 K236R161-F174 HydrophobicContact CB-CE2 4.12Å; Y162-F174 HydrophobicContact CD2-CD2 4.45Å; Y162-F174 HydrophobicContact CD2-CE1 4.32Å; Y162-F174 AromaticContact CD2-CE2 3.9Å; Y162-F174 HydrophobicContact CD2-CE2 3.9Å; Y162-F174 AromaticContact CD2-CZ 3.79Å; Y162-F174 HydrophobicContact CD2-CZ 3.79Å; Y162-F174 HydrophobicContact CG-CE2 4.33Å; Y162-F174 HydrophobicContact CG-CZ 4.2Å; Y165-F174 HydrophobicContact CD2-CB 3.61Å; Y165-F174 HydrophobicContact CD2-CD2 4.43Å; Y165-F174 HydrophobicContact CD2-CG 4.27Å; Y165-F174 HydrophobicContact CE2-CB 4.08Å; Y165-F174 HydrophobicContact CG-CB 4.14Å; Y165-F174 HydrophobicContact CG-CD2 4.16Å; Y165-F174 HydrophobicContact CG-CG 4.31Å; P171-F174 HydrophobicContact CG-CB 4.41Å; P171-F174 HydrophobicContact CG-CD2 3.85Å; P171-F174 PolarHBondContact O-N 3.28Å; N172-F174 PolarHBondContact O-N 2.78Å; F174-L211 HydrophobicContact CB-CD1 4Å; F174-L211 HydrophobicContact CD1-CD1 3.31Å; F174-L211 HydrophobicContact CE1-CD1 3.92Å; F174-L211 HydrophobicContact CG-CD1 3.8Å; F174-S213 WeakPolarHBondContact O-CB 3.48Å; F174-S213 PolarHBondContact O-OG 2.84Å; F174-V215 HydrophobicContact CB-CG2 4.34Å; F174-V215 HydrophobicContact CD1-CG2 4.32Å; F174-K236 HydrophobicContact CE1-CB 3.77Å; F174-K236 HydrophobicContact CE1-CD 4.36Å; F174-K236 HydrophobicContact CZ-CB 3.95Å
175N97.6Very high97.6Very high21 Ų2135.7 Ų35.711%0.11221%0.208CC..  trans-120.9118-175.7-177.4-13.1000110.2N170 P171 N172 A177 F178N170-N175 PolarHBondContact ND2-ND2 3.41Å; N170-N175 WeakPolarHBondContact OD1-CB 3.37Å; P171-N175 PolarHBondContact O-N 3.03Å; N172-N175 PolarHBondContact O-N 3.28Å; N175-A177 PolarHBondContact O-N 3.36Å; N175-A177 VanDerWaalsContact O-N 3.15Å; N175-A177 VanDerWaalsContact OD1-CB 3.24Å; N175-A177 WeakPolarHBondContact OD1-CB 3.4Å; N175-A177 PolarHBondContact OD1-N 2.78Å; N175-F178 HydrophobicContact CB-CD2 3.99Å; N175-F178 PolarHBondContact O-N 3.31Å
176P97.3Very high97.5Very high27 Ų2734.2 Ų34.218%0.17520%0.202CC..G310 helixtrans-64.4-20.4-177.928.6-36.3000113.2F178 S179 S213 V215 F327 P328P176-F178 PolarHBondContact O-N 2.94Å; P176-S179 PolarHBondContact O-N 3.21Å; P176-S179 VanDerWaalsContact O-N 3.13Å; P176-S213 WeakPolarHBondContact CD-O 3.46Å; P176-S213 VanDerWaalsContact CG-O 3.32Å; P176-S213 WeakPolarHBondContact CG-O 3.26Å; P176-V215 HydrophobicContact CB-CG1 3.89Å; P176-V215 HydrophobicContact CG-CG1 4.45Å; P176-F327 HydrophobicContact CB-CD1 4.03Å; P176-F327 HydrophobicContact CB-CE1 4.45Å; P176-F327 WeakPolarHBondContact O-CD1 3.45Å; P176-P328 VanDerWaalsContact O-CD 3.26Å; P176-P328 WeakPolarHBondContact O-CD 3.41Å
177A97.8Very high97.6Very high48 Ų4830 Ų3040%0.39718%0.18SC..G310 helixtrans-63.3-18.8174.400000113.3S80 N175S80-A177 WeakPolarHBondContact CB-O 3.38Å; S80-A177 PolarHBondContact OG-O 3.26Å; N175-A177 PolarHBondContact O-N 3.36Å; N175-A177 VanDerWaalsContact O-N 3.15Å; N175-A177 VanDerWaalsContact OD1-CB 3.24Å; N175-A177 WeakPolarHBondContact OD1-CB 3.4Å; N175-A177 PolarHBondContact OD1-N 2.78Å
178F98.1Very high97.6Very high56 Ų5624.8 Ų24.825%0.24615%0.153CC..G310 helixtrans-106.719.7177.1-66.1-75.5000113.2P78 N79 N172 N175 P176 N180P78-F178 HydrophobicContact CB-CD1 3.59Å; P78-F178 HydrophobicContact CB-CE1 4.18Å; P78-F178 HydrophobicContact CB-CG 4.47Å; P78-F178 HydrophobicContact CG-CD1 4.22Å; P78-F178 HydrophobicContact CG-CE1 4.35Å; N79-F178 WeakPolarHBondContact CB-O 3.35Å; N172-F178 HydrophobicContact CB-CB 4.03Å; N172-F178 HydrophobicContact CB-CD1 4.46Å; N172-F178 HydrophobicContact CB-CD2 3.76Å; N172-F178 HydrophobicContact CB-CE2 4.3Å; N172-F178 HydrophobicContact CB-CG 3.83Å; N172-F178 VanDerWaalsContact OD1-CE2 3.23Å; N172-F178 WeakPolarHBondContact OD1-CE2 3.32Å; N175-F178 HydrophobicContact CB-CD2 3.99Å; N175-F178 PolarHBondContact O-N 3.31Å; P176-F178 PolarHBondContact O-N 2.94Å; F178-N180 VanDerWaalsContact C-N 3.31Å; F178-N180 PolarHBondContact O-N 2.76Å
179S98.4Very high97.7Very high1 Ų122.9 Ų22.91%0.00712%0.124CC..THydrogen-bonded Turntrans50.747.3175.8-56.10000113.4N79 S104 P176N79-S179 PolarHBondContact ND2-O 3.43Å; S104-S179 WeakPolarHBondContact CB-OG 3.32Å; S104-S179 WeakPolarHBondContact OG-CB 3.11Å; S104-S179 PolarHBondContact OG-OG 2.88Å; P176-S179 PolarHBondContact O-N 3.21Å; P176-S179 VanDerWaalsContact O-N 3.13Å
180N97.2Very high97.7Very high11 Ų1118.9 Ų18.96%0.05911%0.105CC..  trans-125.3178.9-171.3-140.9-55.7000112N79 N172 F178 V215 F327N79-N180 PolarHBondContact ND2-ND2 3.16Å; N172-N180 WeakPolarHBondContact O-CB 3.45Å; F178-N180 VanDerWaalsContact C-N 3.31Å; F178-N180 PolarHBondContact O-N 2.76Å; N180-V215 WeakPolarHBondContact O-CG1 3.31Å; N180-F327 VanDerWaalsContact O-CE1 3.23Å; N180-F327 WeakPolarHBondContact O-CE1 3.02Å; N180-F327 VanDerWaalsContact O-CZ 3.29Å; N180-F327 WeakPolarHBondContact O-CZ 3.33Å
181G97.9Very high97.9Very high0 Ų014.6 Ų14.60%08%0.082CC..SBendtrans141.6169.3-170.100000110.2T173 I183 M184 D185 D216T173-G181 PolarHBondContact O-N 3.44Å; G181-I183 VanDerWaalsContact C-N 3.33Å; G181-I183 PolarHBondContact O-N 3.2Å; G181-M184 PolarHBondContact O-N 3.02Å; G181-D185 WeakPolarHBondContact O-CB 3.44Å; G181-D185 PolarHBondContact O-N 3.1Å; G181-D216 WeakPolarHBondContact CA-OD1 3.26Å
182S98.5Very high98Very high0 Ų014 Ų140%08%0.079CC..Hα-helixtrans-64.3-37-174.576.80000113.3I186 G187 D216 A217 Q218 H234S182-I186 WeakPolarHBondContact O-CG1 3.41Å; S182-I186 PolarHBondContact O-N 3.41Å; S182-I186 VanDerWaalsContact O-N 3.14Å; S182-G187 PolarHBondContact O-N 3.15Å; S182-D216 WeakPolarHBondContact CA-OD2 3.3Å; S182-D216 WeakPolarHBondContact CB-OD2 3.35Å; S182-D216 PolarHBondContact N-O 3Å; S182-D216 PolarHBondContact N-OD1 3.49Å; S182-D216 PolarHBondContact N-OD2 2.82Å; S182-D216 VanDerWaalsContact N-OD2 3.08Å; S182-D216 PolarHBondContact OG-OD2 3.44Å; S182-A217 VanDerWaalsContact CB-O 3.29Å; S182-A217 WeakPolarHBondContact CB-O 3.18Å; S182-A217 PolarHBondContact OG-O 3.41Å; S182-Q218 WeakPolarHBondContact OG-CA 3.42Å; S182-Q218 PolarHBondContact OG-N 3.4Å; S182-H234 PolarHBondContact OG-CE1 3.01Å; S182-H234 PolarHBondContact OG-ND1 3.06Å
183I98.6Very high98.1Very high1 Ų110.9 Ų10.91%0.0056%0.062CC..Hα-helixtrans-69.5-38.1176.7-170.666.5000112.1G181 G187 F188 D216 V221 L316 I319 R320G181-I183 VanDerWaalsContact C-N 3.33Å; G181-I183 PolarHBondContact O-N 3.2Å; I183-G187 CarbonylContact O-C 3.59Å; I183-F188 PolarHBondContact O-N 2.79Å; I183-D216 PolarHBondContact N-OD2 2.93Å; I183-V221 HydrophobicContact CD1-CG2 4.05Å; I183-L316 HydrophobicContact CD1-CD2 4.42Å; I183-L316 HydrophobicContact CG1-CD2 3.73Å; I183-I319 HydrophobicContact CD1-CD1 4.26Å; I183-I319 HydrophobicContact CD1-CG2 4.12Å; I183-I319 HydrophobicContact CG1-CG2 3.81Å; I183-R320 HydrophobicContact CG2-CG 4.16Å
184M98.5Very high98.2Very high0 Ų010.8 Ų10.80%06%0.061CC..Hα-helixtrans-75.6-28.4-179.2-68.9-60.3-78.400112.8P101 G181 L316 F327P101-M184 HydrophobicContact CB-CE 4.01Å; P101-M184 HydrophobicContact CG-CE 3.58Å; G181-M184 PolarHBondContact O-N 3.02Å; M184-L316 HydrophobicContact SD-CB 4.13Å; M184-L316 HydrophobicContact SD-CD1 3.99Å; M184-L316 HydrophobicContact SD-CD2 4.05Å; M184-L316 HydrophobicContact SD-CG 4.28Å; M184-F327 HydrophobicContact CE-CE2 3.96Å; M184-F327 HydrophobicContact CG-CE2 3.74Å; M184-F327 HydrophobicContact CG-CZ 3.67Å; M184-F327 HydrophobicContact SD-CE2 4.12Å
185D97.9Very high98.3Very high28 Ų2811 Ų1115%0.156%0.063CC..Hα-helixtrans-95.5-66.6-176.6-171.817.4000113K100 G181 K236K100-D185 PolarHBondContact NZ-O 3.33Å; K100-D185 IonicContact NZ-OD1 3.72Å; K100-D185 PolarHBondContact NZ-OD1 2.99Å; G181-D185 WeakPolarHBondContact O-CB 3.44Å; G181-D185 PolarHBondContact O-N 3.1Å; D185-K236 HydrophobicContact CB-CD 4.33Å; D185-K236 IonicContact OD2-NZ 3.43Å; D185-K236 PolarHBondContact OD2-NZ 2.99Å
186I97.6Very high98.3Very high5 Ų510.7 Ų10.73%0.0266%0.063CC..THydrogen-bonded Turntrans-101-33.9-173.354.5173.7000112.4Y155 S182 F188 Y189 S235 K236Y155-I186 HydrophobicContact CD1-CB 3.8Å; Y155-I186 HydrophobicContact CD1-CG2 4.27Å; Y155-I186 WeakPolarHBondContact CD1-O 3.37Å; Y155-I186 HydrophobicContact CD2-CB 4.39Å; Y155-I186 HydrophobicContact CE1-CB 4.02Å; Y155-I186 HydrophobicContact CE1-CG2 3.96Å; Y155-I186 HydrophobicContact CE2-CG2 4.35Å; Y155-I186 HydrophobicContact CG-CB 4Å; Y155-I186 WeakPolarHBondContact O-CD1 3.4Å; S182-I186 WeakPolarHBondContact O-CG1 3.41Å; S182-I186 PolarHBondContact O-N 3.41Å; S182-I186 VanDerWaalsContact O-N 3.14Å; I186-F188 PolarHBondContact O-N 3.09Å; I186-Y189 PolarHBondContact O-N 3.4Å; I186-S235 WeakPolarHBondContact CD1-O 3.4Å; I186-K236 HydrophobicContact CD1-CG 3.56Å; I186-K236 HydrophobicContact CG1-CG 3.94Å
187G98.5Very high98.4Very high0 Ų010.5 Ų10.50%06%0.06CC..Hα-helixtrans-62.5-25.3171.700000112.5S182 I183 Y189 C190 L191S182-G187 PolarHBondContact O-N 3.15Å; I183-G187 CarbonylContact O-C 3.59Å; G187-Y189 VanDerWaalsContact C-N 3.29Å; G187-Y189 PolarHBondContact O-N 2.68Å; G187-C190 PolarHBondContact O-N 3.11Å; G187-C190 VanDerWaalsContact O-N 3.17Å; G187-L191 PolarHBondContact O-N 3.38Å
188F98.7Very high98.4Very high1 Ų110 Ų100%0.0045%0.049CC..Hα-helixtrans-50.4-48.8171.5178.4-81.9000111.3K100 P101 E125 F127 I183 I186 C190 L191 A192 T312 L316K100-F188 HydrophobicContact CB-CD1 3.94Å; K100-F188 HydrophobicContact CB-CD2 4.39Å; K100-F188 HydrophobicContact CB-CE1 3.5Å; K100-F188 VanDerWaalsContact CB-CE1 3.5Å; K100-F188 HydrophobicContact CB-CE2 4Å; K100-F188 HydrophobicContact CB-CG 4.39Å; K100-F188 HydrophobicContact CB-CZ 3.55Å; K100-F188 HydrophobicContact CD-CB 4.39Å; K100-F188 HydrophobicContact CD-CD1 3.65Å; K100-F188 HydrophobicContact CD-CE1 4.1Å; K100-F188 HydrophobicContact CD-CG 3.95Å; K100-F188 HydrophobicContact CG-CD1 3.94Å; K100-F188 HydrophobicContact CG-CE1 3.85Å; K100-F188 HydrophobicContact CG-CZ 4.4Å; P101-F188 HydrophobicContact CB-CD2 3.98Å; P101-F188 HydrophobicContact CB-CE2 4.06Å; E125-F188 HydrophobicContact CG-CZ 4.41Å; E125-F188 WeakPolarHBondContact OE1-CE2 3.41Å; E125-F188 VanDerWaalsContact OE1-CZ 3.25Å; E125-F188 WeakPolarHBondContact OE1-CZ 3.41Å; F127-F188 HydrophobicContact CB-CE1 4.07Å; F127-F188 HydrophobicContact CB-CZ 4.42Å; F127-F188 HydrophobicContact CD2-CD1 4.35Å; F127-F188 AromaticContact CD2-CE1 3.68Å; F127-F188 HydrophobicContact CD2-CE1 3.68Å; F127-F188 HydrophobicContact CE2-CE1 4.38Å; F127-F188 AromaticContact CG-CE1 3.96Å; F127-F188 HydrophobicContact CG-CE1 3.96Å; I183-F188 PolarHBondContact O-N 2.79Å; I186-F188 PolarHBondContact O-N 3.09Å; F188-C190 VanDerWaalsContact C-N 3.31Å; F188-C190 PolarHBondContact O-N 3.38Å; F188-L191 PolarHBondContact O-N 3.02Å; F188-A192 HydrophobicContact CD1-CB 4.15Å; F188-A192 HydrophobicContact CE1-CB 3.74Å; F188-A192 HydrophobicContact CZ-CB 4.04Å; F188-A192 VanDerWaalsContact O-CB 3.22Å; F188-A192 WeakPolarHBondContact O-CB 3.46Å; F188-A192 PolarHBondContact O-N 2.74Å; F188-T312 HydrophobicContact CD2-CG2 4.14Å; F188-T312 HydrophobicContact CE2-CG2 3.76Å; F188-T312 HydrophobicContact CZ-CG2 4.27Å; F188-L316 HydrophobicContact CD2-CD1 3.88Å; F188-L316 HydrophobicContact CE2-CD1 4.3Å
189Y98.7Very high98.4Very high28 Ų288.6 Ų8.611%0.115%0.051CC..Hα-helixtrans-62.5-39.9-177.3-70.5-82.3000112K100 F127 T129 Y155 I186 G187 S193K100-Y189 HydrophobicContact CD-CE2 4.26Å; K100-Y189 WeakPolarHBondContact CE-OH 3.33Å; F127-Y189 HydrophobicContact CD2-CD1 4.19Å; F127-Y189 AromaticContact CE2-CD1 3.93Å; F127-Y189 HydrophobicContact CE2-CD1 3.93Å; T129-Y189 WeakPolarHBondContact OG1-CD1 3.4Å; Y155-Y189 AromaticContact CD1-CD2 3.97Å; Y155-Y189 HydrophobicContact CD1-CD2 3.97Å; Y155-Y189 HydrophobicContact CD1-CG 4.33Å; Y155-Y189 AromaticContact CE1-CD2 3.68Å; Y155-Y189 HydrophobicContact CE1-CD2 3.68Å; Y155-Y189 HydrophobicContact CE1-CE2 4.17Å; Y155-Y189 HydrophobicContact CE1-CG 4.26Å; I186-Y189 PolarHBondContact O-N 3.4Å; G187-Y189 VanDerWaalsContact C-N 3.29Å; G187-Y189 PolarHBondContact O-N 2.68Å; Y189-S193 WeakPolarHBondContact O-CB 3.4Å; Y189-S193 PolarHBondContact O-N 3.46Å; Y189-S193 PolarHBondContact O-OG 2.95Å
190C98.7Very high98.4Very high0 Ų012.6 Ų12.60%07%0.069CC..Hα-helixtrans-65.7-46.5176.5-61.20000110.9F153 Y155 G187 F188 A194 L232F153-C190 HydrophobicContact CB-CB 3.91Å; F153-C190 WeakPolarHBondContact CD2-O 3.22Å; Y155-C190 VanDerWaalsContact CB-SG 3.52Å; G187-C190 PolarHBondContact O-N 3.11Å; G187-C190 VanDerWaalsContact O-N 3.17Å; F188-C190 VanDerWaalsContact C-N 3.31Å; F188-C190 PolarHBondContact O-N 3.38Å; C190-A194 PolarHBondContact O-N 3.3Å; C190-A194 VanDerWaalsContact O-N 3.09Å; C190-L232 HydrophobicContact CB-CB 4.24Å; C190-L232 HydrophobicContact CB-CD1 4.36Å; C190-L232 HydrophobicContact CB-CD2 3.97Å; C190-L232 HydrophobicContact CB-CG 4.42Å
191L98.9Very high98.5Very high0 Ų012.6 Ų12.60%07%0.07CC..Hα-helixtrans-65.7-52.2-178.6-17664.1000111.9G187 F188 S193 A194 V195 M223 L232 T312 L315 L316 I319G187-L191 PolarHBondContact O-N 3.38Å; F188-L191 PolarHBondContact O-N 3.02Å; L191-S193 VanDerWaalsContact C-N 3.29Å; L191-S193 PolarHBondContact O-N 3.28Å; L191-A194 WeakPolarHBondContact O-CB 3.41Å; L191-A194 PolarHBondContact O-N 3.2Å; L191-A194 VanDerWaalsContact O-N 3.11Å; L191-V195 WeakPolarHBondContact O-CG2 3.47Å; L191-V195 PolarHBondContact O-N 2.95Å; L191-M223 HydrophobicContact CD1-CE 4.11Å; L191-M223 HydrophobicContact CD1-SD 3.53Å; L191-M223 VanDerWaalsContact CD1-SD 3.53Å; L191-L232 HydrophobicContact CB-CD1 3.8Å; L191-L232 HydrophobicContact CD1-CD1 3.75Å; L191-L232 HydrophobicContact CG-CD1 4.4Å; L191-T312 HydrophobicContact CD2-CG2 4.11Å; L191-T312 HydrophobicContact CG-CG2 4.26Å; L191-L315 HydrophobicContact CD1-CB 3.99Å; L191-L315 HydrophobicContact CD1-CD1 3.83Å; L191-L315 HydrophobicContact CD2-CB 3.92Å; L191-L315 HydrophobicContact CG-CB 4.34Å; L191-L315 HydrophobicContact CG-CD1 4.5Å; L191-L316 HydrophobicContact CD2-CD2 3.52Å; L191-L316 HydrophobicContact CD2-CG 3.62Å; L191-I319 HydrophobicContact CD1-CD1 4.1Å; L191-I319 HydrophobicContact CD2-CD1 3.85Å
192A98.8Very high98.5Very high0 Ų020.2 Ų20.20%010%0.103CC..Hα-helixtrans-62.7-35.8179.300000111.8F127 F188 V195 A196 T312F127-A192 HydrophobicContact CD1-CB 3.82Å; F127-A192 HydrophobicContact CD2-CB 4.07Å; F127-A192 HydrophobicContact CE1-CB 3.51Å; F127-A192 HydrophobicContact CE2-CB 3.77Å; F127-A192 HydrophobicContact CG-CB 4.1Å; F127-A192 HydrophobicContact CZ-CB 3.5Å; F188-A192 HydrophobicContact CD1-CB 4.15Å; F188-A192 HydrophobicContact CE1-CB 3.74Å; F188-A192 HydrophobicContact CZ-CB 4.04Å; F188-A192 VanDerWaalsContact O-CB 3.22Å; F188-A192 WeakPolarHBondContact O-CB 3.46Å; F188-A192 PolarHBondContact O-N 2.74Å; A192-V195 PolarHBondContact O-N 2.97Å; A192-A196 WeakPolarHBondContact O-CB 3.44Å; A192-A196 PolarHBondContact O-N 3.26Å; A192-T312 HydrophobicContact CB-CG2 4.02Å
193S98.8Very high98.5Very high0 Ų022.9 Ų22.90%012%0.122CC..Hα-helixtrans-64-42173.1-65.30000112Y189 L191 A196 L197Y189-S193 WeakPolarHBondContact O-CB 3.4Å; Y189-S193 PolarHBondContact O-N 3.46Å; Y189-S193 PolarHBondContact O-OG 2.95Å; L191-S193 VanDerWaalsContact C-N 3.29Å; L191-S193 PolarHBondContact O-N 3.28Å; S193-A196 PolarHBondContact O-N 3.43Å; S193-L197 WeakPolarHBondContact O-CB 3.36Å; S193-L197 WeakPolarHBondContact O-CD1 2.98Å; S193-L197 VanDerWaalsContact O-CG 3.26Å; S193-L197 WeakPolarHBondContact O-CG 3.25Å; S193-L197 PolarHBondContact O-N 3.18Å; S193-L197 VanDerWaalsContact O-N 3.1Å
194A98.8Very high98.5Very high0 Ų023.7 Ų23.70%013%0.126CC..Hα-helixtrans-63.1-45.5176.400000111.2F153 C190 L191 A196 L197 F198 M223 V230F153-A194 HydrophobicContact CD2-CB 4.07Å; F153-A194 HydrophobicContact CE2-CB 3.92Å; C190-A194 PolarHBondContact O-N 3.3Å; C190-A194 VanDerWaalsContact O-N 3.09Å; L191-A194 WeakPolarHBondContact O-CB 3.41Å; L191-A194 PolarHBondContact O-N 3.2Å; L191-A194 VanDerWaalsContact O-N 3.11Å; A194-A196 PolarHBondContact O-N 3.38Å; A194-L197 PolarHBondContact O-N 3.01Å; A194-F198 HydrophobicContact CB-CD2 4.36Å; A194-F198 WeakPolarHBondContact O-CB 3.43Å; A194-F198 VanDerWaalsContact O-CD2 3.3Å; A194-F198 WeakPolarHBondContact O-CD2 3.41Å; A194-F198 PolarHBondContact O-N 2.84Å; A194-M223 HydrophobicContact CB-CE 3.52Å; A194-V230 HydrophobicContact CB-CG1 4.03Å
195V98.7Very high98.6Very high5 Ų530.2 Ų30.23%0.0316%0.157CC..Hα-helixtrans-61.7-43.9176.2175.20000111.3L191 A192 L197 G199 V308 I311 L315L191-V195 WeakPolarHBondContact O-CG2 3.47Å; L191-V195 PolarHBondContact O-N 2.95Å; A192-V195 PolarHBondContact O-N 2.97Å; V195-L197 PolarHBondContact O-N 3.42Å; V195-G199 WeakPolarHBondContact CA-O 3.27Å; V195-G199 VanDerWaalsContact O-CA 3.29Å; V195-G199 WeakPolarHBondContact O-CA 3.33Å; V195-G199 PolarHBondContact O-N 2.85Å; V195-V308 HydrophobicContact CB-CG1 4.4Å; V195-V308 HydrophobicContact CG1-CB 4.35Å; V195-V308 HydrophobicContact CG1-CG1 3.99Å; V195-V308 HydrophobicContact CG1-CG2 4.49Å; V195-I311 HydrophobicContact CB-CG2 4.35Å; V195-I311 HydrophobicContact CG1-CB 3.72Å; V195-I311 HydrophobicContact CG1-CD1 4.25Å; V195-I311 HydrophobicContact CG1-CG2 3.57Å; V195-I311 HydrophobicContact CG2-CG2 3.76Å; V195-L315 HydrophobicContact CG2-CD1 3.62Å
196A98.5Very high98.6Very high13 Ų1329.5 Ų29.511%0.10716%0.155CC..Hα-helixtrans-69.7-16.5-179.500000114.5F127 F135 R139 A192 S193 A194 V308F127-A196 HydrophobicContact CE1-CB 4.23Å; F135-A196 HydrophobicContact CE1-CB 4.06Å; F135-A196 HydrophobicContact CZ-CB 4.09Å; R139-A196 PolarHBondContact NH2-O 3.13Å; A192-A196 WeakPolarHBondContact O-CB 3.44Å; A192-A196 PolarHBondContact O-N 3.26Å; S193-A196 PolarHBondContact O-N 3.43Å; A194-A196 PolarHBondContact O-N 3.38Å; A196-V308 HydrophobicContact CB-CG1 4.14Å; A196-V308 HydrophobicContact CB-CG2 4.35Å
197L98.3Very high98.7Very high23 Ų2334.1 Ų34.112%0.1218%0.183CC..Hα-helixtrans-100.6-36.2176.5-68.5168.6000112.5F135 L138 R139 L142 F153 S193 A194 V195 I246F135-L197 HydrophobicContact CE1-CD2 4.03Å; F135-L197 HydrophobicContact CE1-CG 4.24Å; F135-L197 HydrophobicContact CE2-CD1 4.22Å; F135-L197 HydrophobicContact CE2-CG 4.35Å; F135-L197 HydrophobicContact CZ-CD1 4.04Å; F135-L197 HydrophobicContact CZ-CD2 3.9Å; F135-L197 HydrophobicContact CZ-CG 3.68Å; L138-L197 HydrophobicContact CD2-CD1 4.02Å; L138-L197 HydrophobicContact CD2-CD2 4.46Å; R139-L197 HydrophobicContact CB-CD2 4.08Å; R139-L197 HydrophobicContact CG-CD2 4.39Å; L142-L197 HydrophobicContact CD1-CB 4.41Å; L142-L197 HydrophobicContact CD1-CD2 3.94Å; F153-L197 HydrophobicContact CE2-CD1 4.24Å; F153-L197 HydrophobicContact CZ-CD1 3.74Å; S193-L197 WeakPolarHBondContact O-CB 3.36Å; S193-L197 WeakPolarHBondContact O-CD1 2.98Å; S193-L197 VanDerWaalsContact O-CG 3.26Å; S193-L197 WeakPolarHBondContact O-CG 3.25Å; S193-L197 PolarHBondContact O-N 3.18Å; S193-L197 VanDerWaalsContact O-N 3.1Å; A194-L197 PolarHBondContact O-N 3.01Å; V195-L197 PolarHBondContact O-N 3.42Å; L197-I246 HydrophobicContact CD1-CD1 4.08Å
198F98.2Very high98.7Very high38 Ų3835.5 Ų35.517%0.16720%0.195CC..Hα-helixtrans-124.8-8-166.2-49-54000114.5L142 L148 V151 F153 A194 Y225 F228 V230 I246L142-F198 HydrophobicContact CD1-CE1 4.24Å; L142-F198 HydrophobicContact CD2-CE1 4.11Å; L142-F198 HydrophobicContact CD2-CZ 4.44Å; L148-F198 HydrophobicContact CD1-CD1 4.17Å; L148-F198 HydrophobicContact CD1-CE1 3.8Å; V151-F198 HydrophobicContact CB-CE2 4.45Å; V151-F198 HydrophobicContact CG1-CE2 4.13Å; V151-F198 HydrophobicContact CG2-CE2 3.87Å; V151-F198 HydrophobicContact CG2-CZ 3.79Å; F153-F198 HydrophobicContact CE2-CE2 4.31Å; F153-F198 HydrophobicContact CZ-CE2 4.24Å; A194-F198 HydrophobicContact CB-CD2 4.36Å; A194-F198 WeakPolarHBondContact O-CB 3.43Å; A194-F198 VanDerWaalsContact O-CD2 3.3Å; A194-F198 WeakPolarHBondContact O-CD2 3.41Å; A194-F198 PolarHBondContact O-N 2.84Å; F198-Y225 HydrophobicContact CB-CD1 3.94Å; F198-Y225 HydrophobicContact CB-CE1 3.44Å; F198-Y225 VanDerWaalsContact CB-CE1 3.44Å; F198-Y225 WeakPolarHBondContact O-CE1 3.28Å; F198-F228 HydrophobicContact CB-CZ 4.05Å; F198-F228 HydrophobicContact CD1-CE2 4.14Å; F198-F228 AromaticContact CD1-CZ 3.86Å; F198-F228 HydrophobicContact CD1-CZ 3.86Å; F198-F228 HydrophobicContact CD2-CE2 4.15Å; F198-F228 HydrophobicContact CD2-CZ 4.46Å; F198-F228 HydrophobicContact CE1-CE2 4.42Å; F198-F228 HydrophobicContact CE1-CZ 4.46Å; F198-F228 HydrophobicContact CE2-CE2 4.43Å; F198-F228 HydrophobicContact CG-CE2 4Å; F198-F228 AromaticContact CG-CZ 3.86Å; F198-F228 HydrophobicContact CG-CZ 3.86Å; F198-V230 HydrophobicContact CD2-CG2 3.94Å; F198-V230 HydrophobicContact CE2-CG2 4.12Å; F198-I246 HydrophobicContact CZ-CD1 4.13Å; F198-I246 HydrophobicContact CZ-CG1 4.45Å; F198-I246 HydrophobicContact CZ-CG2 4.4Å
199G98.3Very high98.7Very high27 Ų2738.4 Ų38.428%0.27822%0.215SC..  trans79.7-155.8-176.400000113.3V195 Y225V195-G199 WeakPolarHBondContact CA-O 3.27Å; V195-G199 VanDerWaalsContact O-CA 3.29Å; V195-G199 WeakPolarHBondContact O-CA 3.33Å; V195-G199 PolarHBondContact O-N 2.85Å; G199-Y225 PolarHBondContact O-OH 3.49Å; G199-Y225 VanDerWaalsContact O-OH 3.1Å
200E98.5Very high98.6Very high85 Ų8540.6 Ų40.640%0.39723%0.228SC..SBendtrans-79.3130.2179.2-171.5170.4178.500111.2I311 K314E200-I311 HydrophobicContact CB-CD1 4.03Å; E200-I311 HydrophobicContact CB-CG1 4.21Å; E200-I311 HydrophobicContact CB-CG2 3.79Å; E200-I311 HydrophobicContact CG-CG2 3.88Å; E200-K314 WeakPolarHBondContact OE1-CD 3.42Å; E200-K314 WeakPolarHBondContact OE1-CE 3.44Å; E200-K314 IonicContact OE1-NZ 3.72Å; E200-K314 PolarHBondContact OE1-NZ 3.21Å
201P98.7Very high98.6Very high11 Ų1141.5 Ų41.57%0.07123%0.233CC..  trans-71.6158.8173.731.5-35.6000111.7M223 D224 Y225 L315P201-M223 HydrophobicContact CB-CB 3.85Å; P201-M223 HydrophobicContact CB-CG 4.44Å; P201-M223 HydrophobicContact CG-CB 4.13Å; P201-M223 HydrophobicContact CG-CG 4.17Å; P201-M223 HydrophobicContact CG-SD 4.04Å; P201-D224 CarbonylContact C-O 3.52Å; P201-D224 WeakPolarHBondContact CB-O 3.35Å; P201-Y225 HydrophobicContact CB-CD1 4.43Å; P201-Y225 HydrophobicContact CB-CD2 4.14Å; P201-Y225 HydrophobicContact CB-CE1 4.07Å; P201-Y225 HydrophobicContact CB-CE2 3.74Å; P201-Y225 HydrophobicContact CB-CG 4.47Å; P201-L315 HydrophobicContact CG-CD1 3.99Å; P201-L315 HydrophobicContact CG-CD2 3.71Å
202K98.7Very high98.5Very high159 Ų15946.5 Ų46.569%0.69127%0.274SS*.SBendtrans-69.7-35.3173.8-64.5-176.7-180179.60112.5D224K202-D224 PolarHBondContact N-O 3.28Å
203S98.7Very high98.5Very high57 Ų5748 Ų4840%0.39929%0.285SS..EExtended strand (participates in β ladder)trans-153.8159.6177.170.10000111.6M223 D224S203-M223 WeakPolarHBondContact O-CA 3.3Å; S203-D224 PolarHBondContact O-N 3.28Å; S203-D224 WeakPolarHBondContact OG-CB 3.41Å
204V98.9Very high98.4Very high17 Ų1749.4 Ų49.410%0.10330%0.299CS..EExtended strand (participates in β ladder)trans-136.4136.817861.80000110.1V221 V222 M223 L315 E318 I319 Q322V204-V221 HydrophobicContact CG2-CG1 3.43Å; V204-V221 VanDerWaalsContact CG2-CG1 3.43Å; V204-V222 CarbonylContact C-O 3.57Å; V204-V222 WeakPolarHBondContact CA-O 3.45Å; V204-M223 HydrophobicContact CB-CG 4.28Å; V204-M223 HydrophobicContact CG2-CG 3.89Å; V204-L315 HydrophobicContact CB-CD2 4.25Å; V204-L315 HydrophobicContact CG1-CD2 4.04Å; V204-E318 HydrophobicContact CG1-CB 4.36Å; V204-E318 HydrophobicContact CG1-CG 3.66Å; V204-I319 HydrophobicContact CG2-CD1 4.28Å; V204-I319 HydrophobicContact CG2-CG1 3.87Å; V204-Q322 PolarHBondContact O-NE2 2.84Å
205Q98.9Very high98.4Very high138 Ų13849.4 Ų49.465%0.64530%0.299SS*.EExtended strand (participates in β ladder)trans-126.3134.5172.2-66.1-176.33.800109.2V221 V222 Q322Q205-V221 CarbonylContact O-C 3.59Å; Q205-V221 WeakPolarHBondContact O-CA 3.35Å; Q205-V222 PolarHBondContact N-O 3.27Å; Q205-V222 PolarHBondContact O-N 3.1Å; Q205-Q322 VanDerWaalsContact CA-OE1 3.24Å
206A98.8Very high98.4Very high12 Ų1249.2 Ų49.210%0.09930%0.298CS..EExtended strand (participates in β ladder)trans-137.7145-176.700000112.6V220 V221 I319 Q322 T323A206-V220 WeakPolarHBondContact CA-O 3.41Å; A206-V221 HydrophobicContact CB-CG2 4.05Å; A206-I319 HydrophobicContact CB-CB 4.2Å; A206-I319 HydrophobicContact CB-CG1 4.13Å; A206-I319 HydrophobicContact CB-CG2 3.69Å; A206-Q322 HydrophobicContact CB-CB 4.47Å; A206-T323 HydrophobicContact CB-CG2 4Å
207T98.8Very high98.4Very high102 Ų10248.8 Ų48.863%0.62630%0.295SS*.EExtended strand (participates in β ladder)trans-136.8144.2171.859.70000109.2G219 V220T207-G219 CarbonylContact O-C 3.54Å; T207-G219 WeakPolarHBondContact O-CA 3.26Å; T207-V220 PolarHBondContact N-O 3.48Å; T207-V220 PolarHBondContact O-N 3.4Å
208A98.6Very high98.4Very high30 Ų3050.7 Ų50.725%0.24830%0.303CS..EExtended strand (participates in β ladder)trans-145157.817900000111.8L210 D216 Q218 T323A208-L210 HydrophobicContact CB-CD1 4.08Å; A208-D216 HydrophobicContact CB-CB 3.85Å; A208-Q218 CarbonylContact C-O 3.49Å; A208-Q218 VanDerWaalsContact CA-O 3.27Å; A208-Q218 WeakPolarHBondContact CA-O 3.49Å; A208-Q218 VanDerWaalsContact CB-O 3.32Å; A208-Q218 WeakPolarHBondContact CB-O 3.39Å; A208-T323 HydrophobicContact CB-CG2 3.63Å
209S98.5Very high98.4Very high61 Ų6149 Ų4943%0.42730%0.296SS..EExtended strand (participates in β ladder)trans-98.2123.8163.2-56.50000108.6A217 Q218S209-A217 WeakPolarHBondContact O-CB 3.3Å; S209-A217 PolarHBondContact O-N 3.19Å; S209-Q218 PolarHBondContact N-O 2.84Å; S209-Q218 PolarHBondContact OG-NE2 3.17Å
210L98.5Very high98.4Very high74 Ų7450 Ų5039%0.38730%0.297SS..EExtended strand (participates in β ladder)trans-92.5145.9-178.5-76.562.5000110.2A208 V215 T323 V325A208-L210 HydrophobicContact CB-CD1 4.08Å; L210-V215 CarbonylContact C-O 3.53Å; L210-V215 WeakPolarHBondContact CA-O 3.2Å; L210-T323 WeakPolarHBondContact CD1-O 3.5Å; L210-V325 HydrophobicContact CD2-CG2 4.35Å; L210-V325 HydrophobicContact CG-CG2 4.28Å
211L98.3Very high98.5Very high20 Ų2046 Ų4611%0.10528%0.278CS..PPolyproline II helixtrans-77163.1165.4-65.4180000110.1Y162 Y165 F174 S213 G214 V215 A217Y162-L211 HydrophobicContact CE2-CD1 4.25Å; Y162-L211 HydrophobicContact CE2-CD2 3.89Å; Y165-L211 HydrophobicContact CD1-CD1 4.23Å; Y165-L211 HydrophobicContact CE1-CB 4.29Å; Y165-L211 HydrophobicContact CE1-CD1 3.91Å; Y165-L211 HydrophobicContact CE1-CD2 4.03Å; Y165-L211 HydrophobicContact CE1-CG 4.3Å; Y165-L211 HydrophobicContact CE2-CD1 4.36Å; F174-L211 HydrophobicContact CB-CD1 4Å; F174-L211 HydrophobicContact CD1-CD1 3.31Å; F174-L211 HydrophobicContact CE1-CD1 3.92Å; F174-L211 HydrophobicContact CG-CD1 3.8Å; L211-S213 PolarHBondContact O-N 2.99Å; L211-S213 VanDerWaalsContact O-N 3.13Å; L211-G214 PolarHBondContact O-N 2.88Å; L211-V215 HydrophobicContact CD1-CG2 4.3Å; L211-V215 PolarHBondContact N-O 3.45Å; L211-A217 HydrophobicContact CD1-CB 4.4Å; L211-A217 HydrophobicContact CD2-CB 3.63Å; L211-A217 HydrophobicContact CG-CB 3.68Å
212A97.2Very high98.5Very high104 Ų10448.3 Ų48.386%0.8629%0.292SS*.THydrogen-bonded Turntrans-57.9-25.6175.600000113.3Y165 G214Y165-A212 PolarHBondContact OH-N 3.14Å; A212-G214 PolarHBondContact O-N 3.24Å
213S97.4Very high98.5Very high33 Ų3340.8 Ų40.823%0.23126%0.259CS..THydrogen-bonded Turntrans-69.9-13.4173.259.50000114.7Y165 F174 P176 L211Y165-S213 PolarHBondContact OH-N 3.42Å; F174-S213 WeakPolarHBondContact O-CB 3.48Å; F174-S213 PolarHBondContact O-OG 2.84Å; P176-S213 WeakPolarHBondContact CD-O 3.46Å; P176-S213 VanDerWaalsContact CG-O 3.32Å; P176-S213 WeakPolarHBondContact CG-O 3.26Å; L211-S213 PolarHBondContact O-N 2.99Å; L211-S213 VanDerWaalsContact O-N 3.13Å
214G97.8Very high98.5Very high28 Ų2841 Ų4129%0.28926%0.255SS..SBendtrans96-5.6178.500000115.6L211 A212L211-G214 PolarHBondContact O-N 2.88Å; A212-G214 PolarHBondContact O-N 3.24Å
215V98.2Very high98.5Very high0 Ų041.5 Ų41.50%026%0.256CS..SBendtrans-85.7156.8170.5-54.10000111.2F174 P176 N180 L210 L211 F327F174-V215 HydrophobicContact CB-CG2 4.34Å; F174-V215 HydrophobicContact CD1-CG2 4.32Å; P176-V215 HydrophobicContact CB-CG1 3.89Å; P176-V215 HydrophobicContact CG-CG1 4.45Å; N180-V215 WeakPolarHBondContact O-CG1 3.31Å; L210-V215 CarbonylContact C-O 3.53Å; L210-V215 WeakPolarHBondContact CA-O 3.2Å; L211-V215 HydrophobicContact CD1-CG2 4.3Å; L211-V215 PolarHBondContact N-O 3.45Å; V215-F327 HydrophobicContact CG1-CE1 4.44Å
216D98.6Very high98.4Very high1 Ų136.8 Ų36.81%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-72.4130.2173.261.6-59.9000111.9G181 S182 I183 A208 H234 V325G181-D216 WeakPolarHBondContact CA-OD1 3.26Å; S182-D216 WeakPolarHBondContact CA-OD2 3.3Å; S182-D216 WeakPolarHBondContact CB-OD2 3.35Å; S182-D216 PolarHBondContact N-O 3Å; S182-D216 PolarHBondContact N-OD1 3.49Å; S182-D216 PolarHBondContact N-OD2 2.82Å; S182-D216 VanDerWaalsContact N-OD2 3.08Å; S182-D216 PolarHBondContact OG-OD2 3.44Å; I183-D216 PolarHBondContact N-OD2 2.93Å; A208-D216 HydrophobicContact CB-CB 3.85Å; D216-H234 IonicContact OD2-CE1 2.8Å; D216-H234 IonicContact OD2-ND1 3.76Å; D216-V325 HydrophobicContact CB-CG2 3.92Å
217A98.4Very high98.2Very high5 Ų541.2 Ų41.24%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-80.6-41.7173.900000111.3S182 S209 L211 K236 V237S182-A217 VanDerWaalsContact CB-O 3.29Å; S182-A217 WeakPolarHBondContact CB-O 3.18Å; S182-A217 PolarHBondContact OG-O 3.41Å; S209-A217 WeakPolarHBondContact O-CB 3.3Å; S209-A217 PolarHBondContact O-N 3.19Å; L211-A217 HydrophobicContact CD1-CB 4.4Å; L211-A217 HydrophobicContact CD2-CB 3.63Å; L211-A217 HydrophobicContact CG-CB 3.68Å; A217-K236 PolarHBondContact O-N 3.29Å; A217-V237 HydrophobicContact CB-CB 4.47Å; A217-V237 HydrophobicContact CB-CG1 3.77Å; A217-V237 HydrophobicContact CB-CG2 3.82Å
218Q98.5Very high98.2Very high63 Ų6337.9 Ų37.929%0.29424%0.244SC..EExtended strand (participates in β ladder)trans-158.3158.9-179.169.18815.200109.9S182 A208 S209 H234 S235 V237S182-Q218 WeakPolarHBondContact OG-CA 3.42Å; S182-Q218 PolarHBondContact OG-N 3.4Å; A208-Q218 CarbonylContact C-O 3.49Å; A208-Q218 VanDerWaalsContact CA-O 3.27Å; A208-Q218 WeakPolarHBondContact CA-O 3.49Å; A208-Q218 VanDerWaalsContact CB-O 3.32Å; A208-Q218 WeakPolarHBondContact CB-O 3.39Å; S209-Q218 PolarHBondContact N-O 2.84Å; S209-Q218 PolarHBondContact OG-NE2 3.17Å; Q218-H234 CarbonylContact C-O 3.04Å; Q218-H234 WeakPolarHBondContact CA-O 3.42Å; Q218-H234 WeakPolarHBondContact CB-O 3.47Å; Q218-S235 WeakPolarHBondContact CB-OG 3.29Å; Q218-V237 HydrophobicContact CB-CG2 4.29Å; Q218-V237 HydrophobicContact CG-CG2 4.47Å
219G98.6Very high98.2Very high1 Ų138.2 Ų38.21%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-166.8175.1175.300000114.6T207 H234T207-G219 CarbonylContact O-C 3.54Å; T207-G219 WeakPolarHBondContact O-CA 3.26Å; G219-H234 VanDerWaalsContact CA-CE1 3.48Å; G219-H234 WeakPolarHBondContact CA-CE1 3.42Å; G219-H234 PolarHBondContact N-CE1 3.5Å; G219-H234 VanDerWaalsContact N-CE1 3.35Å; G219-H234 PolarHBondContact N-O 3.18Å; G219-H234 PolarHBondContact O-CD2 3.28Å; G219-H234 PolarHBondContact O-N 3.37Å; G219-H234 VanDerWaalsContact O-N 3.09Å
220V98.8Very high98.2Very high50 Ų5035.3 Ų35.330%0.30322%0.223SC..EExtended strand (participates in β ladder)trans-128.9136.5175178.40000108.6A206 T207 V222 T231 L232A206-V220 WeakPolarHBondContact CA-O 3.41Å; T207-V220 PolarHBondContact N-O 3.48Å; T207-V220 PolarHBondContact O-N 3.4Å; V220-V222 HydrophobicContact CG1-CG2 4.48Å; V220-T231 HydrophobicContact CG1-CG2 3.89Å; V220-L232 VanDerWaalsContact CA-O 3.29Å; V220-L232 WeakPolarHBondContact CA-O 3.43Å
221V98.9Very high98.2Very high0 Ų033 Ų330%021%0.212CC..EExtended strand (participates in β ladder)trans-123.9133.4175.7-177.50000108.6I183 V204 Q205 A206 M223 T231 L232 I319I183-V221 HydrophobicContact CD1-CG2 4.05Å; V204-V221 HydrophobicContact CG2-CG1 3.43Å; V204-V221 VanDerWaalsContact CG2-CG1 3.43Å; Q205-V221 CarbonylContact O-C 3.59Å; Q205-V221 WeakPolarHBondContact O-CA 3.35Å; A206-V221 HydrophobicContact CB-CG2 4.05Å; V221-M223 HydrophobicContact CG1-CG 4.09Å; V221-T231 CarbonylContact O-C 3.35Å; V221-T231 VanDerWaalsContact O-CA 3.3Å; V221-T231 WeakPolarHBondContact O-CA 3.34Å; V221-L232 HydrophobicContact CB-CB 4.05Å; V221-L232 HydrophobicContact CB-CD1 4.04Å; V221-L232 HydrophobicContact CB-CG 4.1Å; V221-L232 HydrophobicContact CG1-CD1 4.27Å; V221-L232 PolarHBondContact N-O 2.84Å; V221-L232 PolarHBondContact O-N 3.38Å; V221-I319 HydrophobicContact CG1-CD1 3.82Å; V221-I319 HydrophobicContact CG1-CG1 4.05Å; V221-I319 HydrophobicContact CG2-CD1 3.98Å; V221-I319 HydrophobicContact CG2-CG1 4.22Å; V221-I319 HydrophobicContact CG2-CG2 4.07Å
222V98.9Very high98.3Very high60 Ų6032 Ų3236%0.36421%0.207SC..EExtended strand (participates in β ladder)trans-116.7122.6173.1-177.30000108.3V204 Q205 V220 V230 T231V204-V222 CarbonylContact C-O 3.57Å; V204-V222 WeakPolarHBondContact CA-O 3.45Å; Q205-V222 PolarHBondContact N-O 3.27Å; Q205-V222 PolarHBondContact O-N 3.1Å; V220-V222 HydrophobicContact CG1-CG2 4.48Å; V222-V230 CarbonylContact C-O 3.59Å; V222-V230 WeakPolarHBondContact CA-O 3.48Å; V222-T231 HydrophobicContact CG2-CG2 4.45Å
223M98.9Very high98.3Very high0 Ų030 Ų300%018%0.18CC..EExtended strand (participates in β ladder)trans-114.2130.3177.8-63.5-180-67.200109.9L191 A194 P201 S203 V204 V221 Y225 S229 V230 L232 L315L191-M223 HydrophobicContact CD1-CE 4.11Å; L191-M223 HydrophobicContact CD1-SD 3.53Å; L191-M223 VanDerWaalsContact CD1-SD 3.53Å; A194-M223 HydrophobicContact CB-CE 3.52Å; P201-M223 HydrophobicContact CB-CB 3.85Å; P201-M223 HydrophobicContact CB-CG 4.44Å; P201-M223 HydrophobicContact CG-CB 4.13Å; P201-M223 HydrophobicContact CG-CG 4.17Å; P201-M223 HydrophobicContact CG-SD 4.04Å; S203-M223 WeakPolarHBondContact O-CA 3.3Å; V204-M223 HydrophobicContact CB-CG 4.28Å; V204-M223 HydrophobicContact CG2-CG 3.89Å; V221-M223 HydrophobicContact CG1-CG 4.09Å; M223-Y225 HydrophobicContact CB-CD2 4.46Å; M223-Y225 HydrophobicContact CB-CE2 3.89Å; M223-S229 CarbonylContact O-C 3.54Å; M223-S229 WeakPolarHBondContact O-CA 3.42Å; M223-V230 HydrophobicContact CB-CB 4.31Å; M223-V230 HydrophobicContact CE-CB 3.75Å; M223-V230 HydrophobicContact CE-CG1 3.56Å; M223-V230 HydrophobicContact CE-CG2 4.45Å; M223-V230 PolarHBondContact N-O 3.16Å; M223-V230 PolarHBondContact O-N 3.04Å; M223-L232 HydrophobicContact CE-CD1 3.85Å; M223-L232 HydrophobicContact CE-CD2 3.77Å; M223-L232 HydrophobicContact CE-CG 3.92Å; M223-L315 HydrophobicContact SD-CD1 4.2Å
224D98.8Very high98.4Very high61 Ų6128.6 Ų28.633%0.32617%0.17SC..EExtended strand (participates in β ladder)trans-96.4124.6178.1175.833.2000110.9P201 K202 S203 G226P201-D224 CarbonylContact C-O 3.52Å; P201-D224 WeakPolarHBondContact CB-O 3.35Å; K202-D224 PolarHBondContact N-O 3.28Å; S203-D224 PolarHBondContact O-N 3.28Å; S203-D224 WeakPolarHBondContact OG-CB 3.41Å; D224-G226 WeakPolarHBondContact OD1-CA 3.2Å; D224-G226 PolarHBondContact OD1-N 3.02Å
225Y98.6Very high98.4Very high28 Ų2827.3 Ų27.311%0.1116%0.156CC..  trans-108.46.7172.9-71.8-97000112F198 G199 P201 M223 D227 F228 V230F198-Y225 HydrophobicContact CB-CD1 3.94Å; F198-Y225 HydrophobicContact CB-CE1 3.44Å; F198-Y225 VanDerWaalsContact CB-CE1 3.44Å; F198-Y225 WeakPolarHBondContact O-CE1 3.28Å; G199-Y225 PolarHBondContact O-OH 3.49Å; G199-Y225 VanDerWaalsContact O-OH 3.1Å; P201-Y225 HydrophobicContact CB-CD1 4.43Å; P201-Y225 HydrophobicContact CB-CD2 4.14Å; P201-Y225 HydrophobicContact CB-CE1 4.07Å; P201-Y225 HydrophobicContact CB-CE2 3.74Å; P201-Y225 HydrophobicContact CB-CG 4.47Å; M223-Y225 HydrophobicContact CB-CD2 4.46Å; M223-Y225 HydrophobicContact CB-CE2 3.89Å; Y225-D227 PolarHBondContact O-N 3.41Å; Y225-F228 HydrophobicContact CD1-CZ 4.05Å; Y225-F228 AromaticContact CD2-CE2 3.95Å; Y225-F228 HydrophobicContact CD2-CE2 3.95Å; Y225-F228 HydrophobicContact CD2-CZ 4.14Å; Y225-F228 HydrophobicContact CG-CE1 4.14Å; Y225-F228 AromaticContact CG-CE2 3.95Å; Y225-F228 HydrophobicContact CG-CE2 3.95Å; Y225-F228 AromaticContact CG-CZ 3.65Å; Y225-F228 HydrophobicContact CG-CZ 3.65Å; Y225-F228 PolarHBondContact N-O 3.18Å; Y225-V230 HydrophobicContact CD2-CG2 3.75Å; Y225-V230 HydrophobicContact CE2-CB 4.12Å; Y225-V230 HydrophobicContact CE2-CG2 3.4Å
226G97.7Very high98.4Very high40 Ų4028 Ų2841%0.41216%0.159SC..SBendtrans93.3-75.5-178.200000112.6D224 F228D224-G226 WeakPolarHBondContact OD1-CA 3.2Å; D224-G226 PolarHBondContact OD1-N 3.02Å; G226-F228 VanDerWaalsContact C-N 3.33Å
227D94.5Very high98.4Very high105 Ų10529.5 Ų29.556%0.56117%0.168SC*.SBendtrans-78.1-19.2-178-86.8-57.7000113.5K147 Y225K147-D227 WeakPolarHBondContact CE-OD1 3.37Å; K147-D227 IonicContact NZ-OD1 2.98Å; K147-D227 PolarHBondContact NZ-OD1 2.98Å; K147-D227 IonicContact NZ-OD2 3.47Å; Y225-D227 PolarHBondContact O-N 3.41Å
228F98.6Very high98.4Very high32 Ų3231.7 Ų31.714%0.1418%0.183CC..  trans-148163.9179.570.8-79.2000110.8L148 R149 V151 F198 Y225 G226 V230L148-F228 HydrophobicContact CB-CB 4.07Å; L148-F228 HydrophobicContact CB-CD1 3.88Å; L148-F228 HydrophobicContact CB-CD2 4.33Å; L148-F228 HydrophobicContact CB-CE1 4.41Å; L148-F228 HydrophobicContact CB-CG 3.84Å; L148-F228 HydrophobicContact CD1-CD1 4.28Å; L148-F228 HydrophobicContact CD1-CE1 3.97Å; L148-F228 HydrophobicContact CD1-CE2 4.2Å; L148-F228 HydrophobicContact CD1-CZ 3.92Å; R149-F228 WeakPolarHBondContact O-CB 3.47Å; V151-F228 HydrophobicContact CG2-CD2 4.13Å; V151-F228 HydrophobicContact CG2-CE2 4.23Å; F198-F228 HydrophobicContact CB-CZ 4.05Å; F198-F228 HydrophobicContact CD1-CE2 4.14Å; F198-F228 AromaticContact CD1-CZ 3.86Å; F198-F228 HydrophobicContact CD1-CZ 3.86Å; F198-F228 HydrophobicContact CD2-CE2 4.15Å; F198-F228 HydrophobicContact CD2-CZ 4.46Å; F198-F228 HydrophobicContact CE1-CE2 4.42Å; F198-F228 HydrophobicContact CE1-CZ 4.46Å; F198-F228 HydrophobicContact CE2-CE2 4.43Å; F198-F228 HydrophobicContact CG-CE2 4Å; F198-F228 AromaticContact CG-CZ 3.86Å; F198-F228 HydrophobicContact CG-CZ 3.86Å; Y225-F228 HydrophobicContact CD1-CZ 4.05Å; Y225-F228 AromaticContact CD2-CE2 3.95Å; Y225-F228 HydrophobicContact CD2-CE2 3.95Å; Y225-F228 HydrophobicContact CD2-CZ 4.14Å; Y225-F228 HydrophobicContact CG-CE1 4.14Å; Y225-F228 AromaticContact CG-CE2 3.95Å; Y225-F228 HydrophobicContact CG-CE2 3.95Å; Y225-F228 AromaticContact CG-CZ 3.65Å; Y225-F228 HydrophobicContact CG-CZ 3.65Å; Y225-F228 PolarHBondContact N-O 3.18Å; G226-F228 VanDerWaalsContact C-N 3.33Å; F228-V230 HydrophobicContact CD2-CG2 4.39Å; F228-V230 HydrophobicContact CE2-CG2 3.96Å
229S98.6Very high98.4Very high36 Ų3634 Ų3425%0.25220%0.198SC..EExtended strand (participates in β ladder)trans-121.9147.7176.363.70000111.3V151 M223V151-S229 PolarHBondContact N-O 3.43Å; M223-S229 CarbonylContact O-C 3.54Å; M223-S229 WeakPolarHBondContact O-CA 3.42Å
230V98.9Very high98.3Very high0 Ų035.5 Ų35.50%021%0.208CC..EExtended strand (participates in β ladder)trans-107.6129169.4-1780000108.9V151 F153 A194 F198 V222 M223 Y225 F228 L232V151-V230 HydrophobicContact CB-CB 4.2Å; V151-V230 HydrophobicContact CB-CG1 4.1Å; V151-V230 HydrophobicContact CB-CG2 3.87Å; V151-V230 HydrophobicContact CG1-CG1 3.96Å; V151-V230 HydrophobicContact CG1-CG2 4.33Å; V151-V230 HydrophobicContact CG2-CG2 4.2Å; V151-V230 CarbonylContact O-C 3.5Å; V151-V230 WeakPolarHBondContact O-CA 3.2Å; F153-V230 HydrophobicContact CD2-CG1 4.36Å; A194-V230 HydrophobicContact CB-CG1 4.03Å; F198-V230 HydrophobicContact CD2-CG2 3.94Å; F198-V230 HydrophobicContact CE2-CG2 4.12Å; V222-V230 CarbonylContact C-O 3.59Å; V222-V230 WeakPolarHBondContact CA-O 3.48Å; M223-V230 HydrophobicContact CB-CB 4.31Å; M223-V230 HydrophobicContact CE-CB 3.75Å; M223-V230 HydrophobicContact CE-CG1 3.56Å; M223-V230 HydrophobicContact CE-CG2 4.45Å; M223-V230 PolarHBondContact N-O 3.16Å; M223-V230 PolarHBondContact O-N 3.04Å; Y225-V230 HydrophobicContact CD2-CG2 3.75Å; Y225-V230 HydrophobicContact CE2-CB 4.12Å; Y225-V230 HydrophobicContact CE2-CG2 3.4Å; F228-V230 HydrophobicContact CD2-CG2 4.39Å; F228-V230 HydrophobicContact CE2-CG2 3.96Å; V230-L232 HydrophobicContact CG1-CD2 3.58Å
231T98.9Very high98.1Very high25 Ų2540.4 Ų40.415%0.15324%0.238CC..EExtended strand (participates in β ladder)trans-110127.4170.2-56.20000109.2V151 F152 F153 V220 V221 V222V151-T231 PolarHBondContact O-N 2.99Å; F152-T231 CarbonylContact C-O 3.58Å; F152-T231 WeakPolarHBondContact CA-O 3.32Å; F152-T231 HydrophobicContact CD2-CG2 4.19Å; F152-T231 HydrophobicContact CE2-CG2 4.45Å; F153-T231 PolarHBondContact N-O 3.34Å; V220-T231 HydrophobicContact CG1-CG2 3.89Å; V221-T231 CarbonylContact O-C 3.35Å; V221-T231 VanDerWaalsContact O-CA 3.3Å; V221-T231 WeakPolarHBondContact O-CA 3.34Å; V222-T231 HydrophobicContact CG2-CG2 4.45Å
232L98.8Very high98Very high0 Ų045 Ų450%026%0.262CS..EExtended strand (participates in β ladder)trans-105.1136.2173.5-41.6-179.6000108.8F153 C190 L191 V220 V221 M223 V230F153-L232 HydrophobicContact CB-CD2 3.86Å; F153-L232 HydrophobicContact CD2-CD2 4.12Å; F153-L232 HydrophobicContact CG-CD2 4.44Å; F153-L232 CarbonylContact O-C 3.34Å; F153-L232 VanDerWaalsContact O-CA 3.28Å; F153-L232 WeakPolarHBondContact O-CA 3.27Å; C190-L232 HydrophobicContact CB-CB 4.24Å; C190-L232 HydrophobicContact CB-CD1 4.36Å; C190-L232 HydrophobicContact CB-CD2 3.97Å; C190-L232 HydrophobicContact CB-CG 4.42Å; L191-L232 HydrophobicContact CB-CD1 3.8Å; L191-L232 HydrophobicContact CD1-CD1 3.75Å; L191-L232 HydrophobicContact CG-CD1 4.4Å; V220-L232 VanDerWaalsContact CA-O 3.29Å; V220-L232 WeakPolarHBondContact CA-O 3.43Å; V221-L232 HydrophobicContact CB-CB 4.05Å; V221-L232 HydrophobicContact CB-CD1 4.04Å; V221-L232 HydrophobicContact CB-CG 4.1Å; V221-L232 HydrophobicContact CG1-CD1 4.27Å; V221-L232 PolarHBondContact N-O 2.84Å; V221-L232 PolarHBondContact O-N 3.38Å; M223-L232 HydrophobicContact CE-CD1 3.85Å; M223-L232 HydrophobicContact CE-CD2 3.77Å; M223-L232 HydrophobicContact CE-CG 3.92Å; V230-L232 HydrophobicContact CG1-CD2 3.58Å
233Q98.5Very high98Very high62 Ų6244.1 Ų44.129%0.2926%0.261SS..EExtended strand (participates in β ladder)trans-121.3127.1168.8-172.8-178.7-39.700108.9F152 F153 N154 Y155F152-Q233 HydrophobicContact CE2-CB 3.9Å; F152-Q233 HydrophobicContact CZ-CB 3.96Å; F153-Q233 PolarHBondContact O-N 3.13Å; N154-Q233 WeakPolarHBondContact CA-O 3.41Å; Y155-Q233 PolarHBondContact N-O 3.33Å
234H98.6Very high98Very high3 Ų344.2 Ų44.21%0.01426%0.261CS..EExtended strand (participates in β ladder)trans-138.8143.3-179.759.188.5000111.8Y155 S182 D216 Q218 G219Y155-H234 VanDerWaalsContact O-CA 3.28Å; Y155-H234 WeakPolarHBondContact O-CA 3.4Å; S182-H234 PolarHBondContact OG-CE1 3.01Å; S182-H234 PolarHBondContact OG-ND1 3.06Å; D216-H234 IonicContact OD2-CE1 2.8Å; D216-H234 IonicContact OD2-ND1 3.76Å; Q218-H234 CarbonylContact C-O 3.04Å; Q218-H234 WeakPolarHBondContact CA-O 3.42Å; Q218-H234 WeakPolarHBondContact CB-O 3.47Å; G219-H234 VanDerWaalsContact CA-CE1 3.48Å; G219-H234 WeakPolarHBondContact CA-CE1 3.42Å; G219-H234 PolarHBondContact N-CE1 3.5Å; G219-H234 VanDerWaalsContact N-CE1 3.35Å; G219-H234 PolarHBondContact N-O 3.18Å; G219-H234 PolarHBondContact O-CD2 3.28Å; G219-H234 PolarHBondContact O-N 3.37Å; G219-H234 VanDerWaalsContact O-N 3.09Å
235S98.7Very high98Very high1 Ų144 Ų441%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-160.4132.1178.7178.20000112.8Y155 C156 Q157 I186 Q218 V237 S238Y155-S235 PolarHBondContact O-N 2.96Å; C156-S235 CarbonylContact C-O 3.52Å; C156-S235 WeakPolarHBondContact CA-O 3.48Å; Q157-S235 PolarHBondContact N-O 2.95Å; I186-S235 WeakPolarHBondContact CD1-O 3.4Å; Q218-S235 WeakPolarHBondContact CB-OG 3.29Å; S235-V237 PolarHBondContact OG-N 2.85Å; S235-V237 VanDerWaalsContact OG-N 3.16Å; S235-S238 VanDerWaalsContact CB-OG 3.25Å; S235-S238 WeakPolarHBondContact CB-OG 3.43Å; S235-S238 PolarHBondContact OG-N 2.81Å; S235-S238 PolarHBondContact OG-OG 2.67Å
236K98.4Very high98Very high15 Ų1542.6 Ų42.67%0.06525%0.253CS..SBendtrans-98.91.9171.3-71-150.777.3940113.7Q157 S159 T173 F174 D185 I186 A217Q157-K236 CarbonylContact O-C 3.27Å; Q157-K236 WeakPolarHBondContact O-CA 3.26Å; S159-K236 WeakPolarHBondContact CB-O 3.29Å; S159-K236 PolarHBondContact N-O 3.05Å; T173-K236 HydrophobicContact CG2-CD 3.56Å; F174-K236 HydrophobicContact CE1-CB 3.77Å; F174-K236 HydrophobicContact CE1-CD 4.36Å; F174-K236 HydrophobicContact CZ-CB 3.95Å; D185-K236 HydrophobicContact CB-CD 4.33Å; D185-K236 IonicContact OD2-NZ 3.43Å; D185-K236 PolarHBondContact OD2-NZ 2.99Å; I186-K236 HydrophobicContact CD1-CG 3.56Å; I186-K236 HydrophobicContact CG1-CG 3.94Å; A217-K236 PolarHBondContact O-N 3.29Å
237V98.2Very high98Very high32 Ų3243.9 Ų43.919%0.19425%0.248CC..SBendtrans-123.26.3-173.5-58.50000112.5Y158 Y162 A217 Q218 S235Y158-V237 WeakPolarHBondContact CD2-O 3.34Å; Y162-V237 HydrophobicContact CD1-CB 4.03Å; Y162-V237 HydrophobicContact CD1-CG1 3.88Å; Y162-V237 HydrophobicContact CD2-CG1 3.65Å; Y162-V237 HydrophobicContact CE1-CB 3.66Å; Y162-V237 HydrophobicContact CE1-CG1 3.63Å; Y162-V237 HydrophobicContact CE2-CB 4.32Å; Y162-V237 HydrophobicContact CE2-CG1 3.38Å; Y162-V237 HydrophobicContact CG-CG1 3.91Å; A217-V237 HydrophobicContact CB-CB 4.47Å; A217-V237 HydrophobicContact CB-CG1 3.77Å; A217-V237 HydrophobicContact CB-CG2 3.82Å; Q218-V237 HydrophobicContact CB-CG2 4.29Å; Q218-V237 HydrophobicContact CG-CG2 4.47Å; S235-V237 PolarHBondContact OG-N 2.85Å; S235-V237 VanDerWaalsContact OG-N 3.16Å
238S97.9Very high98.2Very high51 Ų5139.6 Ų39.636%0.35723%0.229SC..SBendtrans-153.2153.3174.558.20000110.5C156 Q157 Y158 S235C156-S238 CarbonylContact C-O 3.6Å; C156-S238 WeakPolarHBondContact CB-O 3.45Å; Q157-S238 CarbonylContact C-O 3.6Å; Q157-S238 VanDerWaalsContact C-O 3.27Å; Q157-S238 WeakPolarHBondContact CA-O 3.49Å; Q157-S238 PolarHBondContact N-O 2.91Å; Y158-S238 PolarHBondContact N-O 2.54Å; S235-S238 VanDerWaalsContact CB-OG 3.25Å; S235-S238 WeakPolarHBondContact CB-OG 3.43Å; S235-S238 PolarHBondContact OG-N 2.81Å; S235-S238 PolarHBondContact OG-OG 2.67Å
239D97.7Very high98.2Very high113 Ų11342.6 Ų42.660%0.60424%0.243SC*.  trans-92.4151.2172.4-65.7-61000111.3Q157 Y158Q157-D239 WeakPolarHBondContact CA-OD1 3.3Å; Y158-D239 VanDerWaalsContact CB-OD2 3.31Å; Y158-D239 WeakPolarHBondContact CB-OD2 3.34Å; Y158-D239 PolarHBondContact N-OD1 2.74Å
240S97.5Very high98.1Very high32 Ų3242.8 Ų42.822%0.22425%0.247CC..  trans-136.7136.8166.2178.70000109.9N154 C156 L242N154-S240 WeakPolarHBondContact ND2-CB 3.28Å; N154-S240 PolarHBondContact ND2-OG 2.95Å; N154-S240 PolarHBondContact OD1-OG 3.42Å; C156-S240 PolarHBondContact O-N 3.08Å; C156-S240 VanDerWaalsContact O-N 3.08Å; S240-L242 WeakPolarHBondContact OG-CB 3.39Å; S240-L242 PolarHBondContact OG-N 3.48Å
241V95.1Very high98.1Very high152 Ų15243.3 Ų43.392%0.92125%0.253SS*.  trans-99.35.7172-60.70000112.2A243V241-A243 PolarHBondContact O-N 3.33Å
242L97Very high98.1Very high98 Ų9842.8 Ų42.851%0.51325%0.25SC..PPolyproline II helixtrans-66.9132.8179.4-65.1176.8000110.8F152 N154 S240F152-L242 HydrophobicContact CE1-CB 4.39Å; F152-L242 HydrophobicContact CE1-CD1 4.16Å; F152-L242 HydrophobicContact CZ-CD1 4.31Å; N154-L242 PolarHBondContact ND2-O 2.96Å; S240-L242 WeakPolarHBondContact OG-CB 3.39Å; S240-L242 PolarHBondContact OG-N 3.48Å
243A97.6Very high98.1Very high40 Ų4042.8 Ų42.833%0.33125%0.25SC..PPolyproline II helixtrans-68157166.600000110.7V241 V254V241-A243 PolarHBondContact O-N 3.33Å; A243-V254 HydrophobicContact CB-CG1 3.56Å
244S98.7Very high98.1Very high2 Ų241.4 Ų41.41%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-80.7147.9164.3-73.30000109.5F152 F153 N154 V254 I255F152-S244 CarbonylContact O-C 3.55Å; F152-S244 VanDerWaalsContact O-CA 3.28Å; F152-S244 WeakPolarHBondContact O-CA 3.3Å; F153-S244 WeakPolarHBondContact CA-OG 3.25Å; N154-S244 PolarHBondContact N-OG 3.47Å; N154-S244 VanDerWaalsContact N-OG 3.13Å; S244-V254 WeakPolarHBondContact O-CA 3.24Å; S244-I255 PolarHBondContact N-O 2.78Å; S244-I255 PolarHBondContact O-N 2.74Å
245E98.6Very high98.1Very high56 Ų5641.3 Ų41.326%0.26225%0.245SC..EExtended strand (participates in β ladder)trans-141.4138.2-177-166.8-179-15900112.3V151 F152 Q247 S252 L253 V254V151-E245 CarbonylContact C-O 3.55Å; V151-E245 WeakPolarHBondContact CA-O 3.33Å; F152-E245 PolarHBondContact N-O 3.48Å; F152-E245 PolarHBondContact O-N 2.87Å; E245-Q247 HydrophobicContact CG-CG 3.83Å; E245-Q247 PolarHBondContact OE2-NE2 2.64Å; E245-S252 WeakPolarHBondContact OE1-CB 3.38Å; E245-S252 PolarHBondContact OE1-OG 2.66Å; E245-L253 CarbonylContact C-O 3.56Å; E245-L253 VanDerWaalsContact CA-O 3.28Å; E245-L253 WeakPolarHBondContact CA-O 3.39Å; E245-V254 HydrophobicContact CG-CG2 4.31Å
246I98.8Very high98Very high0 Ų045.6 Ų45.60%027%0.265CS..EExtended strand (participates in β ladder)trans-117.2113.7172-58.8172.6000107.4L138 L142 L148 V151 F153 L197 F198 S252 L253 I255L138-I246 HydrophobicContact CD1-CD1 4.08Å; L138-I246 HydrophobicContact CD2-CD1 4.31Å; L138-I246 HydrophobicContact CG-CD1 4.39Å; L142-I246 HydrophobicContact CD2-CD1 3.74Å; L142-I246 HydrophobicContact CD2-CG2 3.88Å; L148-I246 HydrophobicContact CD2-CG2 3.43Å; L148-I246 VanDerWaalsContact CD2-CG2 3.43Å; V151-I246 HydrophobicContact CG1-CG1 3.97Å; V151-I246 HydrophobicContact CG2-CB 4.41Å; V151-I246 HydrophobicContact CG2-CG1 4.29Å; V151-I246 HydrophobicContact CG2-CG2 4.05Å; F153-I246 HydrophobicContact CE1-CD1 4.11Å; F153-I246 HydrophobicContact CE1-CG1 3.82Å; F153-I246 HydrophobicContact CZ-CD1 4.06Å; F153-I246 HydrophobicContact CZ-CG1 4.12Å; L197-I246 HydrophobicContact CD1-CD1 4.08Å; F198-I246 HydrophobicContact CZ-CD1 4.13Å; F198-I246 HydrophobicContact CZ-CG1 4.45Å; F198-I246 HydrophobicContact CZ-CG2 4.4Å; I246-S252 CarbonylContact O-C 3.54Å; I246-S252 WeakPolarHBondContact O-CA 3.33Å; I246-S252 WeakPolarHBondContact O-CB 3.43Å; I246-L253 HydrophobicContact CB-CB 4.29Å; I246-L253 PolarHBondContact N-O 3.01Å; I246-L253 PolarHBondContact O-N 3.38Å; I246-I255 HydrophobicContact CD1-CD1 4.24Å; I246-I255 HydrophobicContact CG1-CD1 4.21Å
247Q98.5Very high97.9Very high67 Ų6749.9 Ų49.931%0.31328%0.284SS..EExtended strand (participates in β ladder)trans-106.9133.6-172.5-55.4173.58.500111.2R149 K150 E245R149-Q247 PolarHBondContact N-O 3.14Å; K150-Q247 HydrophobicContact CB-CB 4.43Å; K150-Q247 PolarHBondContact N-O 2.84Å; K150-Q247 WeakPolarHBondContact O-CA 3.43Å; K150-Q247 WeakPolarHBondContact O-CB 3.25Å; K150-Q247 PolarHBondContact O-N 3.37Å; E245-Q247 HydrophobicContact CG-CG 3.83Å; E245-Q247 PolarHBondContact OE2-NE2 2.64Å
248G98.4Very high97.8Very high15 Ų1548.5 Ų48.516%0.15528%0.275CS..EExtended strand (participates in β ladder)trans-141.5-179.5169.100000112.6V145 K147 A250 G251V145-G248 CarbonylContact O-C 3.35Å; V145-G248 WeakPolarHBondContact O-CA 3.43Å; K147-G248 CarbonylContact O-C 3.58Å; K147-G248 WeakPolarHBondContact O-CA 3.13Å; G248-A250 PolarHBondContact O-N 3.33Å; G248-G251 CarbonylContact C-O 3.58Å; G248-G251 PolarHBondContact N-O 2.84Å; G248-G251 PolarHBondContact O-N 3.17Å
249E97.9Very high97.8Very high95 Ų9546.1 Ų46.144%0.44426%0.258SS..THydrogen-bonded Turntrans-66.9-20-172.6-66.9-178.6174.100115.3V145 K147 R149 R269V145-E249 PolarHBondContact O-N 2.82Å; K147-E249 HydrophobicContact CB-CG 4.13Å; K147-E249 PolarHBondContact O-N 2.81Å; R149-E249 HydrophobicContact CG-CG 4.23Å; R149-E249 IonicContact CZ-OE1 2.74Å; R149-E249 IonicContact NE-OE1 2.87Å; R149-E249 PolarHBondContact NE-OE1 2.76Å; R149-E249 IonicContact NH2-OE1 3.48Å; R149-E249 PolarHBondContact NH2-OE1 2.96Å; E249-R269 PolarHBondContact O-NH1 2.78Å
250A98.2Very high97.7Very high39 Ų3942.5 Ų42.532%0.32224%0.238SC..THydrogen-bonded Turntrans-102.4-6.3-179.100000113.7V145 G248 R269V145-A250 PolarHBondContact O-N 3.45Å; G248-A250 PolarHBondContact O-N 3.33Å; A250-R269 WeakPolarHBondContact O-CB 3.32Å; A250-R269 PolarHBondContact O-N 3.18Å
251G98.2Very high97.6Very high12 Ų1241 Ų4112%0.12423%0.227CC..EExtended strand (participates in β ladder)trans154.7-166.4-179.600000112.7G248 V267G248-G251 CarbonylContact C-O 3.58Å; G248-G251 PolarHBondContact N-O 2.84Å; G248-G251 PolarHBondContact O-N 3.17Å; G251-V267 CarbonylContact C-O 3.51Å; G251-V267 WeakPolarHBondContact CA-O 3.21Å
252S98.5Very high97.7Very high13 Ų1338.6 Ų38.69%0.09121%0.206CC..EExtended strand (participates in β ladder)trans-132.4152.7173.561.90000112.8E245 I246 F266 V267E245-S252 WeakPolarHBondContact OE1-CB 3.38Å; E245-S252 PolarHBondContact OE1-OG 2.66Å; I246-S252 CarbonylContact O-C 3.54Å; I246-S252 WeakPolarHBondContact O-CA 3.33Å; I246-S252 WeakPolarHBondContact O-CB 3.43Å; S252-F266 CarbonylContact O-C 3.59Å; S252-F266 WeakPolarHBondContact O-CA 3.39Å; S252-F266 WeakPolarHBondContact O-CD2 3.41Å; S252-V267 PolarHBondContact N-O 2.9Å; S252-V267 PolarHBondContact O-N 2.88Å
253L98.7Very high97.7Very high0 Ų037.5 Ų37.50%020%0.197CC..EExtended strand (participates in β ladder)trans-100.3126.2165-70.9156.3000107.8L138 A141 L142 V145 E245 I246 I255 V264 C265 F266 L276L138-L253 HydrophobicContact CD1-CB 4.02Å; L138-L253 HydrophobicContact CD1-CD1 3.96Å; L138-L253 HydrophobicContact CD1-CG 4.38Å; A141-L253 HydrophobicContact CB-CD1 4.25Å; A141-L253 HydrophobicContact CB-CD2 3.88Å; L142-L253 HydrophobicContact CD2-CD1 4.21Å; V145-L253 HydrophobicContact CG1-CB 4.39Å; V145-L253 HydrophobicContact CG1-CD1 3.67Å; V145-L253 HydrophobicContact CG1-CG 3.66Å; E245-L253 CarbonylContact C-O 3.56Å; E245-L253 VanDerWaalsContact CA-O 3.28Å; E245-L253 WeakPolarHBondContact CA-O 3.39Å; I246-L253 HydrophobicContact CB-CB 4.29Å; I246-L253 PolarHBondContact N-O 3.01Å; I246-L253 PolarHBondContact O-N 3.38Å; L253-I255 HydrophobicContact CB-CD1 4.4Å; L253-V264 HydrophobicContact CD2-CG1 4.3Å; L253-C265 CarbonylContact C-O 3.57Å; L253-C265 VanDerWaalsContact CA-O 3.28Å; L253-C265 WeakPolarHBondContact CA-O 3.46Å; L253-F266 HydrophobicContact CD2-CB 3.9Å; L253-F266 HydrophobicContact CD2-CD2 4.15Å; L253-F266 HydrophobicContact CD2-CG 4.45Å; L253-F266 HydrophobicContact CG-CD2 4.35Å; L253-L276 HydrophobicContact CD2-CD1 4.18Å
254V98.5Very high97.7Very high34 Ų3435.6 Ų35.621%0.20618%0.182CC..EExtended strand (participates in β ladder)trans-109.4125.9178.3-177.30000108.1A243 S244 E245 C265 V267A243-V254 HydrophobicContact CB-CG1 3.56Å; S244-V254 WeakPolarHBondContact O-CA 3.24Å; E245-V254 HydrophobicContact CG-CG2 4.31Å; V254-C265 HydrophobicContact CB-CB 4.42Å; V254-C265 PolarHBondContact N-O 3.22Å; V254-C265 PolarHBondContact O-N 3.42Å; V254-V267 HydrophobicContact CG2-CG2 4.08Å
255I98.6Very high97.7Very high0 Ų035.9 Ų35.90%018%0.183CC..EExtended strand (participates in β ladder)trans-119119.3-174.9-50.984000109.2L138 S244 I246 L253 L258 K263L138-I255 HydrophobicContact CD1-CD1 3.9Å; L138-I255 HydrophobicContact CD1-CG1 3.75Å; L138-I255 HydrophobicContact CD2-CD1 4.35Å; L138-I255 HydrophobicContact CD2-CG1 3.91Å; L138-I255 HydrophobicContact CG-CG1 4.47Å; S244-I255 PolarHBondContact N-O 2.78Å; S244-I255 PolarHBondContact O-N 2.74Å; I246-I255 HydrophobicContact CD1-CD1 4.24Å; I246-I255 HydrophobicContact CG1-CD1 4.21Å; L253-I255 HydrophobicContact CB-CD1 4.4Å; I255-L258 HydrophobicContact CG2-CD1 4.01Å; I255-K263 WeakPolarHBondContact CA-O 3.17Å
256E97.4Very high97.7Very high91 Ų9134 Ų3443%0.42517%0.174SC..EExtended strand (participates in β ladder)trans-84132171.8-167-179.915300110Q262 K263E256-Q262 PolarHBondContact O-N 3.25Å; E256-K263 HydrophobicContact CB-CB 3.59Å; E256-K263 PolarHBondContact N-O 2.67Å
257K95.3Very high97.7Very high105 Ų10535.9 Ų35.946%0.45719%0.186SC..SBendtrans46.269.6177.1-167.1179.7177.9-172.70112.4S259 E260 C261 Q262K257-S259 PolarHBondContact O-N 3.01Å; K257-E260 HydrophobicContact CD-CB 4.25Å; K257-E260 HydrophobicContact CD-CG 3.96Å; K257-E260 HydrophobicContact CG-CB 4.38Å; K257-E260 HydrophobicContact CG-CG 4.31Å; K257-E260 CarbonylContact O-C 3.5Å; K257-E260 PolarHBondContact O-N 2.87Å; K257-C261 PolarHBondContact O-N 3.47Å; K257-Q262 HydrophobicContact CB-CB 4.27Å
258L97.2Very high97.6Very high3 Ų333.6 Ų33.62%0.01618%0.177CC..G310 helixtrans-45.9-39.3-171.9-179.664.3000114.2T129 F153 I255 E260 C261T129-L258 WeakPolarHBondContact CG2-O 3.5Å; F153-L258 HydrophobicContact CB-CD2 3.75Å; F153-L258 HydrophobicContact CD1-CD2 3.8Å; F153-L258 HydrophobicContact CD2-CD2 3.86Å; F153-L258 HydrophobicContact CE1-CD1 4.49Å; F153-L258 HydrophobicContact CE1-CD2 4.31Å; F153-L258 HydrophobicContact CE2-CD2 4.37Å; F153-L258 HydrophobicContact CG-CD2 3.54Å; I255-L258 HydrophobicContact CG2-CD1 4.01Å; L258-E260 VanDerWaalsContact C-N 3.25Å; L258-E260 PolarHBondContact O-N 3.05Å; L258-C261 PolarHBondContact O-N 2.64Å; L258-C261 VanDerWaalsContact O-N 3.13Å
259S96.4Very high97.5Very high1 Ų142.1 Ų42.11%0.00720%0.204CC..G310 helixtrans-59.8-30.6179.361.90000114.3T129 K257T129-S259 PolarHBondContact OG1-O 3.14Å; K257-S259 PolarHBondContact O-N 3.01Å
260E96.2Very high97.3Very high38 Ų3841.9 Ų41.918%0.17823%0.227CC..G310 helixtrans-108.1-3.4175.7-57-62.1161.800112.6K128 L132 K257 L258 Q262 Q280 T284K128-E260 WeakPolarHBondContact CE-OE1 3.23Å; K128-E260 WeakPolarHBondContact CE-OE2 3.4Å; K128-E260 IonicContact NZ-OE1 2.73Å; K128-E260 PolarHBondContact NZ-OE1 3.04Å; K128-E260 IonicContact NZ-OE2 3.33Å; K128-E260 PolarHBondContact NZ-OE2 3.43Å; L132-E260 VanDerWaalsContact CD1-O 3.24Å; L132-E260 WeakPolarHBondContact CD1-O 3.31Å; K257-E260 HydrophobicContact CD-CB 4.25Å; K257-E260 HydrophobicContact CD-CG 3.96Å; K257-E260 HydrophobicContact CG-CB 4.38Å; K257-E260 HydrophobicContact CG-CG 4.31Å; K257-E260 CarbonylContact O-C 3.5Å; K257-E260 PolarHBondContact O-N 2.87Å; L258-E260 VanDerWaalsContact C-N 3.25Å; L258-E260 PolarHBondContact O-N 3.05Å; E260-Q262 PolarHBondContact O-N 3.21Å; E260-Q262 VanDerWaalsContact O-N 3.1Å; E260-Q280 PolarHBondContact O-NE2 2.83Å; E260-T284 PolarHBondContact OE2-OG1 2.83Å
261C96.6Very high97.2Very high0 Ų043.6 Ų43.60%024%0.236CC..THydrogen-bonded Turntrans40.649.2-173.5-1520000111.7L132 N134 F135 K257 L258 K263 V264L132-C261 HydrophobicContact CD1-CB 4.07Å; N134-C261 VanDerWaalsContact C-SG 3.51Å; N134-C261 HydrophobicContact CB-CB 3.92Å; N134-C261 WeakPolarHBondContact CB-O 3Å; N134-C261 PolarHBondContact ND2-O 2.8Å; F135-C261 HydrophobicContact CB-CB 4.4Å; K257-C261 PolarHBondContact O-N 3.47Å; L258-C261 PolarHBondContact O-N 2.64Å; L258-C261 VanDerWaalsContact O-N 3.13Å; C261-K263 VanDerWaalsContact C-N 3.27Å; C261-K263 PolarHBondContact O-N 2.72Å; C261-V264 VanDerWaalsContact SG-CG2 3.56Å
262Q95.4Very high97Very high101 Ų10151.4 Ų51.447%0.47227%0.27SS..  trans-65.3-33.1-164.7-176.6174.9-14.800112.3E256 K257 E260 T277E256-Q262 PolarHBondContact O-N 3.25Å; K257-Q262 HydrophobicContact CB-CB 4.27Å; E260-Q262 PolarHBondContact O-N 3.21Å; E260-Q262 VanDerWaalsContact O-N 3.1Å; Q262-T277 WeakPolarHBondContact O-CG2 3.41Å
263K97.3Very high97Very high76 Ų7656 Ų5633%0.3329%0.291SS..EExtended strand (participates in β ladder)trans-143.1139.9177.5-163.1176.2-176.3165.10110.5I255 E256 C261 C265 D275 T277I255-K263 WeakPolarHBondContact CA-O 3.17Å; E256-K263 HydrophobicContact CB-CB 3.59Å; E256-K263 PolarHBondContact N-O 2.67Å; C261-K263 VanDerWaalsContact C-N 3.27Å; C261-K263 PolarHBondContact O-N 2.72Å; K263-C265 VanDerWaalsContact CE-SG 3.59Å; K263-D275 WeakPolarHBondContact CE-OD2 3.48Å; K263-D275 IonicContact NZ-OD2 2.65Å; K263-D275 PolarHBondContact NZ-OD2 2.78Å; K263-T277 WeakPolarHBondContact CA-OG1 3.47Å; K263-T277 VanDerWaalsContact CG-OG1 3.26Å; K263-T277 WeakPolarHBondContact CG-OG1 3.41Å
264V98.4Very high96.9Very high0 Ų060.1 Ų60.10%031%0.311CS..EExtended strand (participates in β ladder)trans-130.4116.3175.1-177.80000109.2N134 L137 L138 L253 C261 L276 T277N134-V264 HydrophobicContact CB-CG2 4.03Å; L137-V264 HydrophobicContact CD2-CB 4.4Å; L138-V264 HydrophobicContact CD1-CG1 4Å; L253-V264 HydrophobicContact CD2-CG1 4.3Å; C261-V264 VanDerWaalsContact SG-CG2 3.56Å; V264-L276 WeakPolarHBondContact O-CB 3.22Å; V264-L276 PolarHBondContact O-N 3.26Å; V264-T277 PolarHBondContact N-OG1 3.24Å; V264-T277 PolarHBondContact O-N 2.84Å; V264-T277 PolarHBondContact O-OG1 3.15Å
265C98.6Very high96.9Very high7 Ų762.9 Ų62.95%0.04732%0.324CS..EExtended strand (participates in β ladder)trans-115.2140.8176.3-660000110.5L253 V254 K263 M273 Q274L253-C265 CarbonylContact C-O 3.57Å; L253-C265 VanDerWaalsContact CA-O 3.28Å; L253-C265 WeakPolarHBondContact CA-O 3.46Å; V254-C265 HydrophobicContact CB-CB 4.42Å; V254-C265 PolarHBondContact N-O 3.22Å; V254-C265 PolarHBondContact O-N 3.42Å; K263-C265 VanDerWaalsContact CE-SG 3.59Å; C265-M273 HydrophobicContact CB-CE 4.26Å; C265-M273 HydrophobicContact CB-CG 3.67Å; C265-M273 HydrophobicContact CB-SD 3.67Å; C265-M273 VanDerWaalsContact SG-SD 3.63Å; C265-Q274 CarbonylContact C-O 3.52Å; C265-Q274 VanDerWaalsContact CA-O 3.28Å; C265-Q274 WeakPolarHBondContact CA-O 3.46Å
266F98.7Very high96.9Very high16 Ų1664.2 Ų64.27%0.0733%0.331CS..EExtended strand (participates in β ladder)trans-101.7130.4165.4175.7-124.3000109.7K144 V145 S252 L253 P268 M273 Q274 L276K144-F266 HydrophobicContact CB-CD1 4.49Å; K144-F266 HydrophobicContact CB-CD2 4.2Å; K144-F266 HydrophobicContact CB-CE1 4.11Å; K144-F266 HydrophobicContact CB-CE2 3.83Å; K144-F266 HydrophobicContact CB-CZ 3.78Å; K144-F266 HydrophobicContact CD-CD1 4.08Å; K144-F266 HydrophobicContact CD-CE1 4.27Å; K144-F266 HydrophobicContact CD-CG 4.36Å; K144-F266 WeakPolarHBondContact O-CZ 3.44Å; V145-F266 HydrophobicContact CG1-CD2 4.38Å; V145-F266 HydrophobicContact CG1-CE2 4.15Å; S252-F266 CarbonylContact O-C 3.59Å; S252-F266 WeakPolarHBondContact O-CA 3.39Å; S252-F266 WeakPolarHBondContact O-CD2 3.41Å; L253-F266 HydrophobicContact CD2-CB 3.9Å; L253-F266 HydrophobicContact CD2-CD2 4.15Å; L253-F266 HydrophobicContact CD2-CG 4.45Å; L253-F266 HydrophobicContact CG-CD2 4.35Å; F266-P268 HydrophobicContact CD1-CB 4.3Å; F266-P268 HydrophobicContact CD1-CG 3.74Å; F266-P268 HydrophobicContact CE1-CB 3.56Å; F266-P268 HydrophobicContact CE1-CG 3.47Å; F266-P268 VanDerWaalsContact CE1-CG 3.47Å; F266-P268 HydrophobicContact CZ-CB 3.8Å; F266-P268 HydrophobicContact CZ-CG 4.17Å; F266-P268 WeakPolarHBondContact O-CD 3.49Å; F266-M273 CarbonylContact O-C 3.59Å; F266-M273 WeakPolarHBondContact O-CA 3.36Å; F266-Q274 PolarHBondContact N-O 3.01Å; F266-Q274 PolarHBondContact O-N 3.3Å; F266-L276 HydrophobicContact CB-CD1 3.79Å; F266-L276 HydrophobicContact CB-CG 4.22Å
267V98.3Very high96.9Very high40 Ų4061.9 Ų61.924%0.24232%0.323CS..EExtended strand (participates in β ladder)trans-113.191.6176-171.60000107.7G251 S252 V254 M273G251-V267 CarbonylContact C-O 3.51Å; G251-V267 WeakPolarHBondContact CA-O 3.21Å; S252-V267 PolarHBondContact N-O 2.9Å; S252-V267 PolarHBondContact O-N 2.88Å; V254-V267 HydrophobicContact CG2-CG2 4.08Å; V267-M273 HydrophobicContact CG2-CB 4.11Å; V267-M273 HydrophobicContact CG2-CE 3.52Å; V267-M273 HydrophobicContact CG2-CG 3.94Å
268P97.9Very high97Very high19 Ų1961.7 Ų61.712%0.12332%0.324CS..EExtended strand (participates in β ladder)trans-67.3149.6177.92.28.6000111F266 G270 S271 Q272F266-P268 HydrophobicContact CD1-CB 4.3Å; F266-P268 HydrophobicContact CD1-CG 3.74Å; F266-P268 HydrophobicContact CE1-CB 3.56Å; F266-P268 HydrophobicContact CE1-CG 3.47Å; F266-P268 VanDerWaalsContact CE1-CG 3.47Å; F266-P268 HydrophobicContact CZ-CB 3.8Å; F266-P268 HydrophobicContact CZ-CG 4.17Å; F266-P268 WeakPolarHBondContact O-CD 3.49Å; P268-G270 PolarHBondContact O-N 3.44Å; P268-S271 PolarHBondContact O-N 3Å; P268-S271 VanDerWaalsContact O-N 3.11Å; P268-Q272 WeakPolarHBondContact CD-O 3.39Å
269R95.6Very high96.9Very high195 Ų19567.1 Ų67.174%0.73636%0.359SS*.THydrogen-bonded Turntrans-58.5122.7178.7-171.7176.673-163.79.1111.1E249 A250 S271E249-R269 PolarHBondContact O-NH1 2.78Å; A250-R269 WeakPolarHBondContact O-CB 3.32Å; A250-R269 PolarHBondContact O-N 3.18Å; R269-S271 PolarHBondContact O-N 3.15Å
270G94.4Very high97Very high89 Ų8969.4 Ų69.492%0.91837%0.37SS*.THydrogen-bonded Turntrans68.814.4177.900000114.5P268P268-G270 PolarHBondContact O-N 3.44Å
271S94.3Very high97Very high75 Ų7570 Ų7052%0.52437%0.373SS..SBendtrans-126.3167.8178.8-64.20000110.9P268 R269P268-S271 PolarHBondContact O-N 3Å; P268-S271 VanDerWaalsContact O-N 3.11Å; R269-S271 PolarHBondContact O-N 3.15Å
272Q95.1Very high96.9Very high176 Ų17677.8 Ų77.882%0.82241%0.412SS*.  trans-73.8152.5176.4-67.7-171.2-8.200112P268P268-Q272 WeakPolarHBondContact CD-O 3.39Å
273M97.4Very high97Very high109 Ų10973.5 Ų73.554%0.53739%0.393SS..  trans-57.1137.7173.4-179.5-179.5-75.300111.1C265 F266 V267C265-M273 HydrophobicContact CB-CE 4.26Å; C265-M273 HydrophobicContact CB-CG 3.67Å; C265-M273 HydrophobicContact CB-SD 3.67Å; C265-M273 VanDerWaalsContact SG-SD 3.63Å; F266-M273 CarbonylContact O-C 3.59Å; F266-M273 WeakPolarHBondContact O-CA 3.36Å; V267-M273 HydrophobicContact CG2-CB 4.11Å; V267-M273 HydrophobicContact CG2-CE 3.52Å; V267-M273 HydrophobicContact CG2-CG 3.94Å
274Q98.1Very high97Very high88 Ų8870.7 Ų70.741%0.41138%0.382SS..EExtended strand (participates in β ladder)trans-114.3120176.3-60.9175.4-0.500108.4C265 F266 L276C265-Q274 CarbonylContact C-O 3.52Å; C265-Q274 VanDerWaalsContact CA-O 3.28Å; C265-Q274 WeakPolarHBondContact CA-O 3.46Å; F266-Q274 PolarHBondContact N-O 3.01Å; F266-Q274 PolarHBondContact O-N 3.3Å; Q274-L276 HydrophobicContact CB-CD2 4.35Å; Q274-L276 PolarHBondContact O-N 2.97Å
275D98.1Very high96.9Very high92 Ų9270.9 Ų70.949%0.49238%0.383SS..EExtended strand (participates in β ladder)trans-75.8121.5171.4-162-21.5000108.9K263 T277K263-D275 WeakPolarHBondContact CE-OD2 3.48Å; K263-D275 IonicContact NZ-OD2 2.65Å; K263-D275 PolarHBondContact NZ-OD2 2.78Å; D275-T277 WeakPolarHBondContact OD1-CB 3.3Å; D275-T277 PolarHBondContact OD1-N 3.47Å; D275-T277 PolarHBondContact OD1-OG1 3.23Å
276L98.1Very high96.9Very high28 Ų2871.4 Ų71.415%0.14739%0.385CS..  trans-101.7-9.7178.8-54.2-176000112L137 A141 L253 V264 F266 Q274 Q278L137-L276 HydrophobicContact CD2-CB 3.75Å; L137-L276 WeakPolarHBondContact CD2-O 3.35Å; L137-L276 HydrophobicContact CG-CB 4.39Å; A141-L276 HydrophobicContact CB-CD1 3.89Å; L253-L276 HydrophobicContact CD2-CD1 4.18Å; V264-L276 WeakPolarHBondContact O-CB 3.22Å; V264-L276 PolarHBondContact O-N 3.26Å; F266-L276 HydrophobicContact CB-CD1 3.79Å; F266-L276 HydrophobicContact CB-CG 4.22Å; Q274-L276 HydrophobicContact CB-CD2 4.35Å; Q274-L276 PolarHBondContact O-N 2.97Å; L276-Q278 PolarHBondContact O-N 3.34Å; L276-Q278 PolarHBondContact O-NE2 2.98Å
277T98.1Very high96.9Very high41 Ų4172.7 Ų72.725%0.25239%0.39SS..PPolyproline II helixtrans-52.4133.2-166.5-52.80000112.4Q262 K263 V264 D275Q262-T277 WeakPolarHBondContact O-CG2 3.41Å; K263-T277 WeakPolarHBondContact CA-OG1 3.47Å; K263-T277 VanDerWaalsContact CG-OG1 3.26Å; K263-T277 WeakPolarHBondContact CG-OG1 3.41Å; V264-T277 PolarHBondContact N-OG1 3.24Å; V264-T277 PolarHBondContact O-N 2.84Å; V264-T277 PolarHBondContact O-OG1 3.15Å; D275-T277 WeakPolarHBondContact OD1-CB 3.3Å; D275-T277 PolarHBondContact OD1-N 3.47Å; D275-T277 PolarHBondContact OD1-OG1 3.23Å
278Q96.2Very high96.8Very high101 Ų10170.9 Ų70.947%0.47238%0.379SS..PPolyproline II helixtrans-99.1149.5170.5-61.4-57.6-53.400110.3N134 L137 L276 Q280N134-Q278 PolarHBondContact ND2-O 3.31Å; N134-Q278 PolarHBondContact OD1-N 3.19Å; N134-Q278 PolarHBondContact OD1-O 3.3Å; L137-Q278 HydrophobicContact CD2-CG 4.29Å; L276-Q278 PolarHBondContact O-N 3.34Å; L276-Q278 PolarHBondContact O-NE2 2.98Å; Q278-Q280 PolarHBondContact O-N 3.33Å
279P96.6Very high96.9Very high118 Ų11870 Ų7077%0.76637%0.373SS*.PPolyproline II helixtrans-55.9138.7167-2233.3000110.7
280Q97.2Very high97Very high48 Ų4864.2 Ų64.222%0.22435%0.354CS..  trans-121.3154.7173-55.8-171133.400109.3P133 N134 E260 Q278 Y287P133-Q280 HydrophobicContact CB-CG 4.47Å; P133-Q280 HydrophobicContact CG-CG 4.35Å; N134-Q280 VanDerWaalsContact CB-OE1 3.31Å; N134-Q280 VanDerWaalsContact N-OE1 3.12Å; N134-Q280 VanDerWaalsContact ND2-CD 3.26Å; N134-Q280 PolarHBondContact ND2-OE1 3.24Å; E260-Q280 PolarHBondContact O-NE2 2.83Å; Q278-Q280 PolarHBondContact O-N 3.33Å; Q280-Y287 WeakPolarHBondContact CA-OH 3.49Å; Q280-Y287 HydrophobicContact CB-CE2 4.31Å
281H96.6Very high97.1Very high52 Ų5263.3 Ų63.324%0.24133%0.328CS..  trans-62.2145172.9-164-98.4000110.5E28 N283 L286 Y287E28-H281 IonicContact OE1-CE1 3.55Å; E28-H281 PolarHBondContact OE1-CE1 2.97Å; E28-H281 IonicContact OE1-NE2 3.69Å; E28-H281 PolarHBondContact OE1-NE2 3.17Å; E28-H281 IonicContact OE2-CE1 3.01Å; E28-H281 PolarHBondContact OE2-CE1 3.41Å; E28-H281 IonicContact OE2-ND1 3.62Å; E28-H281 IonicContact OE2-NE2 2.64Å; H281-N283 VanDerWaalsContact C-N 3.25Å; H281-N283 PolarHBondContact ND1-N 3.21Å; H281-N283 PolarHBondContact ND1-O 3.47Å; H281-N283 PolarHBondContact O-N 2.98Å; H281-L286 HydrophobicContact CB-CD2 4.01Å; H281-Y287 HydrophobicContact CB-CE2 4.16Å; H281-Y287 PolarHBondContact N-OH 3.27Å
282I95.6Very high97.3Very high162 Ų16259.8 Ų59.883%0.83130%0.303SS*.SBendtrans-61.3-38-177.4-170.870.4000111.4
283N96.8Very high97.5Very high12 Ų1251.4 Ų51.46%0.06426%0.264CS..SBendtrans-95.399.2170.5-171.4-12.4000109.3Q21 A25 H281 M285 L286Q21-N283 PolarHBondContact O-ND2 3.5Å; A25-N283 PolarHBondContact N-ND2 2.95Å; H281-N283 VanDerWaalsContact C-N 3.25Å; H281-N283 PolarHBondContact ND1-N 3.21Å; H281-N283 PolarHBondContact ND1-O 3.47Å; H281-N283 PolarHBondContact O-N 2.98Å; N283-M285 PolarHBondContact O-N 3.32Å; N283-M285 PolarHBondContact OD1-N 3.45Å; N283-L286 WeakPolarHBondContact O-CB 3.4Å; N283-L286 PolarHBondContact O-N 3.23Å
284T96.4Very high97.4Very high17 Ų1748.1 Ų48.110%0.10425%0.25CS..THydrogen-bonded Turntrans-70.6-12.7-175.255.30000113.9K128 L132 E260 L286 Y287K128-T284 PolarHBondContact NZ-OG1 3.37Å; K128-T284 VanDerWaalsContact NZ-OG1 3.14Å; L132-T284 HydrophobicContact CD2-CG2 4.21Å; E260-T284 PolarHBondContact OE2-OG1 2.83Å; T284-L286 PolarHBondContact O-N 2.89Å; T284-Y287 WeakPolarHBondContact O-CD2 3.21Å
285M97.4Very high97.4Very high4 Ų444.4 Ų44.42%0.0223%0.233CC..THydrogen-bonded Turntrans-72.1-12.5174.5-56.7-175.998.600112.4I18 Q21 F22 A25 E99 K128 N283 Y287 E288 A289I18-M285 HydrophobicContact CD1-CE 3.51Å; I18-M285 HydrophobicContact CD1-SD 3.54Å; I18-M285 VanDerWaalsContact CD1-SD 3.54Å; I18-M285 HydrophobicContact CG1-CE 3.73Å; I18-M285 HydrophobicContact CG1-SD 4.2Å; Q21-M285 HydrophobicContact CB-SD 3.78Å; F22-M285 HydrophobicContact CB-CE 4.21Å; F22-M285 HydrophobicContact CB-SD 4.19Å; F22-M285 HydrophobicContact CD2-CE 4.33Å; A25-M285 HydrophobicContact CB-CB 3.9Å; E99-M285 WeakPolarHBondContact OE1-CE 3.47Å; K128-M285 HydrophobicContact CD-CG 4.38Å; N283-M285 PolarHBondContact O-N 3.32Å; N283-M285 PolarHBondContact OD1-N 3.45Å; M285-Y287 PolarHBondContact O-N 2.95Å; M285-E288 HydrophobicContact CB-CG 4.45Å; M285-E288 VanDerWaalsContact CE-OE1 3.27Å; M285-E288 WeakPolarHBondContact CE-OE1 3.38Å; M285-E288 VanDerWaalsContact O-CG 3.3Å; M285-E288 WeakPolarHBondContact O-CG 3.28Å; M285-E288 PolarHBondContact O-N 3Å; M285-A289 WeakPolarHBondContact O-CB 3.38Å; M285-A289 PolarHBondContact O-N 3.44Å
286L97.9Very high97.4Very high17 Ų1741 Ų419%0.08922%0.216CC..Hα-helixtrans-54.2-42.4173.6178.363.5000111.4A25 H281 N283 T284 E288 A289 E290A25-L286 HydrophobicContact CB-CB 4.43Å; A25-L286 WeakPolarHBondContact O-CD1 3.46Å; H281-L286 HydrophobicContact CB-CD2 4.01Å; N283-L286 WeakPolarHBondContact O-CB 3.4Å; N283-L286 PolarHBondContact O-N 3.23Å; T284-L286 PolarHBondContact O-N 2.89Å; L286-E288 PolarHBondContact O-N 3.08Å; L286-A289 PolarHBondContact O-N 3.35Å; L286-E290 HydrophobicContact CD1-CG 4.17Å; L286-E290 HydrophobicContact CG-CG 4.43Å; L286-E290 WeakPolarHBondContact O-CB 3.31Å; L286-E290 WeakPolarHBondContact O-CG 3.4Å; L286-E290 PolarHBondContact O-N 2.97Å
287Y98.1Very high97.3Very high44 Ų4442.1 Ų42.117%0.17322%0.222CC..Hα-helixtrans-68.2-38.9-175.1-58.8-65.5000113.4C131 L132 P133 Q280 H281 T284 M285 L291C131-Y287 WeakPolarHBondContact O-CB 3.4Å; L132-Y287 HydrophobicContact CD2-CD2 3.78Å; L132-Y287 HydrophobicContact CD2-CE2 4.43Å; P133-Y287 VanDerWaalsContact CD-CE2 3.47Å; P133-Y287 VanDerWaalsContact CD-CZ 3.45Å; P133-Y287 HydrophobicContact CG-CD1 4.15Å; P133-Y287 HydrophobicContact CG-CE1 3.5Å; P133-Y287 HydrophobicContact CG-CE2 3.97Å; P133-Y287 WeakPolarHBondContact CG-OH 3.41Å; Q280-Y287 WeakPolarHBondContact CA-OH 3.49Å; Q280-Y287 HydrophobicContact CB-CE2 4.31Å; H281-Y287 HydrophobicContact CB-CE2 4.16Å; H281-Y287 PolarHBondContact N-OH 3.27Å; T284-Y287 WeakPolarHBondContact O-CD2 3.21Å; M285-Y287 PolarHBondContact O-N 2.95Å; Y287-L291 WeakPolarHBondContact O-CB 3.43Å; Y287-L291 PolarHBondContact O-N 3.43Å; Y287-L291 VanDerWaalsContact O-N 3.09Å
288E97.8Very high97.3Very high1 Ų146 Ų461%0.00524%0.237CC..Hα-helixtrans-75.8-34.2176.568.9-175.3160.500111.9F124 A126 K128 C131 M285 L286 L291 F292F124-E288 HydrophobicContact CE1-CB 4Å; F124-E288 HydrophobicContact CZ-CB 4.15Å; A126-E288 WeakPolarHBondContact CA-OE2 3.39Å; A126-E288 WeakPolarHBondContact CB-OE2 3.45Å; K128-E288 VanDerWaalsContact CA-OE2 3.26Å; K128-E288 WeakPolarHBondContact CA-OE2 3.37Å; K128-E288 HydrophobicContact CB-CG 4.31Å; K128-E288 VanDerWaalsContact CB-OE2 3.31Å; K128-E288 WeakPolarHBondContact CB-OE2 2.95Å; K128-E288 PolarHBondContact N-OE2 3.4Å; K128-E288 VanDerWaalsContact N-OE2 3.14Å; C131-E288 HydrophobicContact CB-CB 4.32Å; M285-E288 HydrophobicContact CB-CG 4.45Å; M285-E288 VanDerWaalsContact CE-OE1 3.27Å; M285-E288 WeakPolarHBondContact CE-OE1 3.38Å; M285-E288 VanDerWaalsContact O-CG 3.3Å; M285-E288 WeakPolarHBondContact O-CG 3.28Å; M285-E288 PolarHBondContact O-N 3Å; L286-E288 PolarHBondContact O-N 3.08Å; E288-L291 PolarHBondContact O-N 3.28Å; E288-F292 WeakPolarHBondContact O-CB 3.33Å; E288-F292 PolarHBondContact O-N 3.35Å
289A98.2Very high97.2Very high0 Ų048.5 Ų48.50%025%0.248CC..Hα-helixtrans-63-44.1171.400000110.9F22 Y32 M285 L286 L291 F292 A293F22-A289 HydrophobicContact CE2-CB 4.04Å; F22-A289 HydrophobicContact CZ-CB 4.27Å; Y32-A289 HydrophobicContact CE2-CB 4.05Å; Y32-A289 WeakPolarHBondContact CE2-O 3.36Å; Y32-A289 PolarHBondContact OH-O 2.87Å; M285-A289 WeakPolarHBondContact O-CB 3.38Å; M285-A289 PolarHBondContact O-N 3.44Å; L286-A289 PolarHBondContact O-N 3.35Å; A289-L291 VanDerWaalsContact C-N 3.35Å; A289-L291 PolarHBondContact O-N 3.17Å; A289-F292 PolarHBondContact O-N 2.71Å; A289-A293 WeakPolarHBondContact O-CB 3.48Å; A289-A293 PolarHBondContact O-N 2.9Å
290E97.7Very high97.3Very high74 Ų7446.1 Ų46.135%0.34623%0.229SC..Hα-helixtrans-63.2-41.4176.8-77.3-176.6147.200112.7K31 L286 T294K31-E290 PolarHBondContact NZ-O 3.15Å; K31-E290 VanDerWaalsContact NZ-O 3.07Å; L286-E290 HydrophobicContact CD1-CG 4.17Å; L286-E290 HydrophobicContact CG-CG 4.43Å; L286-E290 WeakPolarHBondContact O-CB 3.31Å; L286-E290 WeakPolarHBondContact O-CG 3.4Å; L286-E290 PolarHBondContact O-N 2.97Å; E290-T294 PolarHBondContact O-N 2.93Å; E290-T294 VanDerWaalsContact O-N 3.09Å; E290-T294 PolarHBondContact O-OG1 3Å
291L97.7Very high97.4Very high70 Ų7044.5 Ų44.537%0.36622%0.222SC..Hα-helixtrans-65.1-49.2177.3177.659.2000111.2F124 C131 Y287 E288 A289 A293 T294 L295F124-L291 HydrophobicContact CE2-CD2 3.78Å; F124-L291 HydrophobicContact CE2-CG 4.16Å; F124-L291 HydrophobicContact CZ-CD2 4.12Å; C131-L291 VanDerWaalsContact SG-CD2 3.58Å; Y287-L291 WeakPolarHBondContact O-CB 3.43Å; Y287-L291 PolarHBondContact O-N 3.43Å; Y287-L291 VanDerWaalsContact O-N 3.09Å; E288-L291 PolarHBondContact O-N 3.28Å; A289-L291 VanDerWaalsContact C-N 3.35Å; A289-L291 PolarHBondContact O-N 3.17Å; L291-A293 VanDerWaalsContact C-N 3.28Å; L291-A293 PolarHBondContact O-N 3.44Å; L291-T294 WeakPolarHBondContact O-CB 3.37Å; L291-T294 PolarHBondContact O-N 2.95Å; L291-T294 VanDerWaalsContact O-N 3.11Å; L291-L295 HydrophobicContact CD1-CG 4.37Å; L291-L295 HydrophobicContact CG-CD1 4.37Å; L291-L295 WeakPolarHBondContact O-CG 3.19Å; L291-L295 PolarHBondContact O-N 2.9Å
292F98.3Very high97.4Very high1 Ų146.8 Ų46.80%0.00424%0.236CC..Hα-helixtrans-57.3-43.2178179.3-112.4000111.4Y32 A72 N95 I97 V122 F124 E288 A289 T294 L295 V296Y32-F292 HydrophobicContact CE1-CD1 4.12Å; Y32-F292 VanDerWaalsContact OH-CD1 3.3Å; Y32-F292 WeakPolarHBondContact OH-CD1 3.48Å; A72-F292 HydrophobicContact CB-CE1 3.93Å; A72-F292 HydrophobicContact CB-CZ 4.24Å; N95-F292 HydrophobicContact CB-CE2 4.47Å; N95-F292 HydrophobicContact CB-CZ 3.77Å; I97-F292 HydrophobicContact CB-CD1 4.23Å; I97-F292 HydrophobicContact CB-CD2 4.19Å; I97-F292 HydrophobicContact CB-CE1 4.21Å; I97-F292 HydrophobicContact CB-CE2 4.11Å; I97-F292 HydrophobicContact CB-CG 4.23Å; I97-F292 HydrophobicContact CB-CZ 4.13Å; I97-F292 HydrophobicContact CD1-CB 4.31Å; I97-F292 HydrophobicContact CD1-CG 4.38Å; I97-F292 HydrophobicContact CG2-CD1 4.04Å; I97-F292 HydrophobicContact CG2-CE1 3.86Å; I97-F292 HydrophobicContact CG2-CZ 4.14Å; V122-F292 HydrophobicContact CB-CE2 4.19Å; V122-F292 HydrophobicContact CG1-CD2 3.97Å; V122-F292 HydrophobicContact CG1-CE2 3.7Å; F124-F292 HydrophobicContact CB-CD2 3.47Å; F124-F292 VanDerWaalsContact CB-CD2 3.47Å; F124-F292 HydrophobicContact CB-CE2 3.88Å; F124-F292 HydrophobicContact CB-CG 4.48Å; F124-F292 HydrophobicContact CG-CD2 4.01Å; E288-F292 WeakPolarHBondContact O-CB 3.33Å; E288-F292 PolarHBondContact O-N 3.35Å; A289-F292 PolarHBondContact O-N 2.71Å; F292-T294 VanDerWaalsContact C-N 3.34Å; F292-T294 PolarHBondContact O-N 3.06Å; F292-L295 WeakPolarHBondContact O-CB 3.41Å; F292-L295 PolarHBondContact O-N 3.16Å; F292-L295 VanDerWaalsContact O-N 3.15Å; F292-V296 HydrophobicContact CD1-CG2 4.38Å; F292-V296 HydrophobicContact CD2-CG2 4.42Å; F292-V296 HydrophobicContact CE1-CG2 3.98Å; F292-V296 HydrophobicContact CE2-CG2 4.06Å; F292-V296 HydrophobicContact CZ-CG2 3.83Å; F292-V296 WeakPolarHBondContact O-CG2 3.45Å; F292-V296 PolarHBondContact O-N 3.09Å
293A98Very high97.5Very high0 Ų040 Ų400%020%0.201CC..Hα-helixtrans-62.9-40.5177.100000112.4I8 K31 Y32 A289 L291 L295 V296 D297I8-A293 HydrophobicContact CD1-CB 3.77Å; K31-A293 HydrophobicContact CB-CB 3.97Å; K31-A293 HydrophobicContact CD-CB 3.3Å; K31-A293 HydrophobicContact CG-CB 4.29Å; Y32-A293 HydrophobicContact CE2-CB 3.84Å; Y32-A293 WeakPolarHBondContact OH-CB 3.47Å; Y32-A293 PolarHBondContact OH-N 2.87Å; A289-A293 WeakPolarHBondContact O-CB 3.48Å; A289-A293 PolarHBondContact O-N 2.9Å; L291-A293 VanDerWaalsContact C-N 3.28Å; L291-A293 PolarHBondContact O-N 3.44Å; A293-L295 VanDerWaalsContact C-N 3.33Å; A293-L295 PolarHBondContact O-N 3.14Å; A293-V296 PolarHBondContact O-N 3.32Å; A293-D297 WeakPolarHBondContact O-CB 3.34Å; A293-D297 PolarHBondContact O-N 2.87Å
294T97.3Very high97.5Very high40 Ų4044.7 Ų44.725%0.24523%0.232CC..Hα-helixtrans-61.8-41.7174.5-65.60000111.4K31 E290 L291 F292 V296 D297 E298K31-T294 PolarHBondContact NZ-OG1 3.23Å; E290-T294 PolarHBondContact O-N 2.93Å; E290-T294 VanDerWaalsContact O-N 3.09Å; E290-T294 PolarHBondContact O-OG1 3Å; L291-T294 WeakPolarHBondContact O-CB 3.37Å; L291-T294 PolarHBondContact O-N 2.95Å; L291-T294 VanDerWaalsContact O-N 3.11Å; F292-T294 VanDerWaalsContact C-N 3.34Å; F292-T294 PolarHBondContact O-N 3.06Å; T294-V296 VanDerWaalsContact C-N 3.33Å; T294-V296 PolarHBondContact O-N 2.86Å; T294-D297 PolarHBondContact O-N 3.43Å; T294-E298 HydrophobicContact CG2-CG 4.38Å; T294-E298 WeakPolarHBondContact O-CB 3.08Å; T294-E298 WeakPolarHBondContact O-CG 3.28Å; T294-E298 PolarHBondContact O-N 2.87Å
295L97.9Very high97.5Very high11 Ų1145.1 Ų45.16%0.05824%0.24CC..Hα-helixtrans-62.4-40.8176.9-64.2173.7000111.9V122 F124 L291 F292 A293 H299 L300 H303V122-L295 HydrophobicContact CG1-CB 3.88Å; V122-L295 HydrophobicContact CG1-CD1 4.28Å; V122-L295 HydrophobicContact CG2-CB 4.32Å; F124-L295 HydrophobicContact CD2-CD1 3.77Å; F124-L295 HydrophobicContact CE2-CD1 4.23Å; L291-L295 HydrophobicContact CD1-CG 4.37Å; L291-L295 HydrophobicContact CG-CD1 4.37Å; L291-L295 WeakPolarHBondContact O-CG 3.19Å; L291-L295 PolarHBondContact O-N 2.9Å; F292-L295 WeakPolarHBondContact O-CB 3.41Å; F292-L295 PolarHBondContact O-N 3.16Å; F292-L295 VanDerWaalsContact O-N 3.15Å; A293-L295 VanDerWaalsContact C-N 3.33Å; A293-L295 PolarHBondContact O-N 3.14Å; L295-H299 WeakPolarHBondContact O-CA 3.18Å; L295-H299 PolarHBondContact O-N 2.88Å; L295-L300 HydrophobicContact CD2-CB 3.82Å; L295-L300 HydrophobicContact CD2-CD1 3.96Å; L295-L300 PolarHBondContact O-N 2.81Å; L295-H303 HydrophobicContact CD1-CB 4.36Å; L295-H303 HydrophobicContact CD2-CB 3.65Å
296V97.8Very high97.6Very high20 Ų2045.2 Ų45.212%0.12124%0.241CC..Hα-helixtrans-67.5-49.1177.1173.20000111I8 N95 V122 F292 A293 T294 E298 H299I8-V296 HydrophobicContact CD1-CB 4.04Å; I8-V296 HydrophobicContact CD1-CG1 4.04Å; I8-V296 HydrophobicContact CD1-CG2 4.43Å; I8-V296 HydrophobicContact CG1-CG1 4.37Å; N95-V296 HydrophobicContact CB-CG2 4.04Å; V122-V296 HydrophobicContact CB-CG2 4.11Å; V122-V296 HydrophobicContact CG2-CG2 4.13Å; F292-V296 HydrophobicContact CD1-CG2 4.38Å; F292-V296 HydrophobicContact CD2-CG2 4.42Å; F292-V296 HydrophobicContact CE1-CG2 3.98Å; F292-V296 HydrophobicContact CE2-CG2 4.06Å; F292-V296 HydrophobicContact CZ-CG2 3.83Å; F292-V296 WeakPolarHBondContact O-CG2 3.45Å; F292-V296 PolarHBondContact O-N 3.09Å; A293-V296 PolarHBondContact O-N 3.32Å; T294-V296 VanDerWaalsContact C-N 3.33Å; T294-V296 PolarHBondContact O-N 2.86Å; V296-E298 VanDerWaalsContact C-N 3.29Å; V296-E298 PolarHBondContact O-N 3.13Å; V296-H299 PolarHBondContact O-N 3.45Å; V296-H299 VanDerWaalsContact O-N 3.09Å
297D96.1Very high97.6Very high51 Ų5147.1 Ų47.127%0.27326%0.259SS..Hα-helixtrans-57-43.1178.2-78.5-16.5000111.5A293 T294 H299A293-D297 WeakPolarHBondContact O-CB 3.34Å; A293-D297 PolarHBondContact O-N 2.87Å; T294-D297 PolarHBondContact O-N 3.43Å; D297-H299 VanDerWaalsContact C-N 3.31Å; D297-H299 PolarHBondContact O-ND1 2.83Å
298E96.6Very high97.6Very high122 Ų12246.5 Ų46.557%0.5726%0.259SS*.THydrogen-bonded Turntrans-86.30.4-178.8-64.1-177.5-173.300113.6T294 V296 L300T294-E298 HydrophobicContact CG2-CG 4.38Å; T294-E298 WeakPolarHBondContact O-CB 3.08Å; T294-E298 WeakPolarHBondContact O-CG 3.28Å; T294-E298 PolarHBondContact O-N 2.87Å; V296-E298 VanDerWaalsContact C-N 3.29Å; V296-E298 PolarHBondContact O-N 3.13Å; E298-L300 HydrophobicContact CB-CD1 3.97Å; E298-L300 HydrophobicContact CB-CG 3.76Å; E298-L300 PolarHBondContact O-N 2.99Å; E298-L300 WeakPolarHBondContact OE2-CD1 3.35Å
299H96.1Very high97.7Very high154 Ų15446.8 Ų46.871%0.71326%0.261SS*.THydrogen-bonded Turntrans53.637.3-177.9-57.867000113L295 V296 D297 V301L295-H299 WeakPolarHBondContact O-CA 3.18Å; L295-H299 PolarHBondContact O-N 2.88Å; V296-H299 PolarHBondContact O-N 3.45Å; V296-H299 VanDerWaalsContact O-N 3.09Å; D297-H299 VanDerWaalsContact C-N 3.31Å; D297-H299 PolarHBondContact O-ND1 2.83Å; H299-V301 PolarHBondContact O-N 2.98Å
300L97.8Very high97.7Very high69 Ų6951.6 Ų51.636%0.36128%0.28SS..  trans-83.977-178.1-67.4178.7000111.2L295 E298L295-L300 HydrophobicContact CD2-CB 3.82Å; L295-L300 HydrophobicContact CD2-CD1 3.96Å; L295-L300 PolarHBondContact O-N 2.81Å; E298-L300 HydrophobicContact CB-CD1 3.97Å; E298-L300 HydrophobicContact CB-CG 3.76Å; E298-L300 PolarHBondContact O-N 2.99Å; E298-L300 WeakPolarHBondContact OE2-CD1 3.35Å
301V98.2Very high97.8Very high13 Ų1349.5 Ų49.58%0.07927%0.27CS..SBendtrans-60.8-48.4176177.60000111.1R117 H299 L306R117-V301 HydrophobicContact CG-CG1 4.14Å; H299-V301 PolarHBondContact O-N 2.98Å; V301-L306 VanDerWaalsContact O-CD1 3.31Å; V301-L306 WeakPolarHBondContact O-CD1 3.1Å
302D97.7Very high97.8Very high101 Ų10146.1 Ų46.154%0.5425%0.253SS..SBendtrans-9499.3174.3-81.9-60.4000110.5R117R117-D302 IonicContact CZ-OD1 3.19Å; R117-D302 IonicContact NE-OD1 2.77Å; R117-D302 PolarHBondContact NE-OD1 3.03Å; R117-D302 IonicContact NE-OD2 3.6Å; R117-D302 IonicContact NH2-OD1 3.27Å; R117-D302 PolarHBondContact NH2-OD1 3.32Å
303H97.7Very high97.8Very high18 Ų1846.5 Ų46.58%0.08326%0.256CS..  trans-120.3158.4175.966.494.5000111.7L123 F124 L295 G305 L306L123-H303 PolarHBondContact O-NE2 2.89Å; F124-H303 AromaticContact CD2-CE1 3.83Å; L295-H303 HydrophobicContact CD1-CB 4.36Å; L295-H303 HydrophobicContact CD2-CB 3.65Å; H303-G305 PolarHBondContact ND1-N 2.85Å; H303-G305 PolarHBondContact O-N 2.77Å; H303-L306 PolarHBondContact O-N 2.86Å; H303-L306 VanDerWaalsContact O-N 3.12Å
304P96.3Very high97.9Very high112 Ų11250.6 Ų50.673%0.72727%0.274SS*.Hα-helixtrans-58.6-24.1-176.1-26.835.3000115L306 A307 V308P304-L306 VanDerWaalsContact C-N 3.3Å; P304-L306 PolarHBondContact O-N 3.1Å; P304-A307 PolarHBondContact O-N 3.05Å; P304-V308 PolarHBondContact O-N 2.95Å
305G97.9Very high98Very high26 Ų2649 Ų4927%0.26826%0.264SS..Hα-helixtrans-60.2-37177.200000112.9H303 A307 V308 S309H303-G305 PolarHBondContact ND1-N 2.85Å; H303-G305 PolarHBondContact O-N 2.77Å; G305-A307 VanDerWaalsContact C-N 3.29Å; G305-A307 PolarHBondContact O-N 3.13Å; G305-V308 WeakPolarHBondContact O-CB 3.3Å; G305-V308 PolarHBondContact O-N 3.04Å; G305-V308 VanDerWaalsContact O-N 3.11Å; G305-S309 PolarHBondContact O-N 3.26Å; G305-S309 PolarHBondContact O-OG 3.05Å
306L98.5Very high98Very high6 Ų648.8 Ų48.83%0.03126%0.263CS..Hα-helixtrans-62.4-36178.2-66.8-175.4000112.7I113 L123 V301 H303 P304 S309 R310I113-L306 HydrophobicContact CD1-CB 4.43Å; I113-L306 HydrophobicContact CG1-CD2 4.19Å; I113-L306 HydrophobicContact CG2-CD1 4.39Å; L123-L306 HydrophobicContact CB-CD2 4.38Å; L123-L306 HydrophobicContact CG-CD2 4.36Å; L123-L306 VanDerWaalsContact O-CD2 3.22Å; L123-L306 WeakPolarHBondContact O-CD2 3.38Å; V301-L306 VanDerWaalsContact O-CD1 3.31Å; V301-L306 WeakPolarHBondContact O-CD1 3.1Å; H303-L306 PolarHBondContact O-N 2.86Å; H303-L306 VanDerWaalsContact O-N 3.12Å; P304-L306 VanDerWaalsContact C-N 3.3Å; P304-L306 PolarHBondContact O-N 3.1Å; L306-S309 PolarHBondContact O-N 2.89Å; L306-R310 WeakPolarHBondContact O-CB 2.99Å; L306-R310 PolarHBondContact O-N 2.93Å
307A98.3Very high98Very high57 Ų5749.9 Ų49.947%0.47127%0.269SS..Hα-helixtrans-65.3-41.717600000111.1P304 G305 R310 I311P304-A307 PolarHBondContact O-N 3.05Å; G305-A307 VanDerWaalsContact C-N 3.29Å; G305-A307 PolarHBondContact O-N 3.13Å; A307-R310 PolarHBondContact O-N 2.89Å; A307-I311 WeakPolarHBondContact O-CB 3.43Å; A307-I311 WeakPolarHBondContact O-CD1 3.42Å; A307-I311 VanDerWaalsContact O-CG1 3.27Å; A307-I311 WeakPolarHBondContact O-CG1 3.43Å; A307-I311 PolarHBondContact O-N 3.35Å
308V98.6Very high98.2Very high30 Ų3050.2 Ų50.218%0.18227%0.269CS..Hα-helixtrans-62.9-47.4175.4176.70000110.6V195 A196 P304 G305 R310 I311 T312V195-V308 HydrophobicContact CB-CG1 4.4Å; V195-V308 HydrophobicContact CG1-CB 4.35Å; V195-V308 HydrophobicContact CG1-CG1 3.99Å; V195-V308 HydrophobicContact CG1-CG2 4.49Å; A196-V308 HydrophobicContact CB-CG1 4.14Å; A196-V308 HydrophobicContact CB-CG2 4.35Å; P304-V308 PolarHBondContact O-N 2.95Å; G305-V308 WeakPolarHBondContact O-CB 3.3Å; G305-V308 PolarHBondContact O-N 3.04Å; G305-V308 VanDerWaalsContact O-N 3.11Å; V308-R310 PolarHBondContact O-N 2.83Å; V308-I311 PolarHBondContact O-N 2.99Å; V308-T312 VanDerWaalsContact O-CB 3.25Å; V308-T312 WeakPolarHBondContact O-CB 3.25Å; V308-T312 PolarHBondContact O-N 3.25Å; V308-T312 PolarHBondContact O-OG1 3.34Å
309S98.7Very high98.3Very high7 Ų744.5 Ų44.55%0.04924%0.243CC..Hα-helixtrans-57.7-48.2176.9-66.80000112.2E125 G305 L306 T312 A313E125-S309 VanDerWaalsContact CB-OG 3.3Å; E125-S309 WeakPolarHBondContact CB-OG 3.31Å; E125-S309 WeakPolarHBondContact OE2-CA 3.38Å; E125-S309 WeakPolarHBondContact OE2-CB 3.19Å; E125-S309 PolarHBondContact OE2-OG 3.05Å; G305-S309 PolarHBondContact O-N 3.26Å; G305-S309 PolarHBondContact O-OG 3.05Å; L306-S309 PolarHBondContact O-N 2.89Å; S309-T312 PolarHBondContact O-N 2.64Å; S309-A313 WeakPolarHBondContact O-CB 3.46Å; S309-A313 PolarHBondContact O-N 2.83Å
310R98.8Very high98.4Very high101 Ų10137.3 Ų37.338%0.38121%0.209SC..Hα-helixtrans-63.1-47.4-179.8-170.5-177.2-174.6-83.6-16.6112.6L106 D110 I113 L306 A307 V308 T312 A313 K314L106-R310 HydrophobicContact CD1-CG 3.97Å; D110-R310 WeakPolarHBondContact OD1-CD 3.21Å; D110-R310 WeakPolarHBondContact OD1-CG 3.22Å; D110-R310 IonicContact OD1-CZ 2.71Å; D110-R310 IonicContact OD1-NE 4Å; D110-R310 PolarHBondContact OD1-NE 3.41Å; D110-R310 IonicContact OD1-NH2 3.57Å; D110-R310 PolarHBondContact OD1-NH2 3.15Å; D110-R310 IonicContact OD2-CZ 2.78Å; D110-R310 IonicContact OD2-NE 3.62Å; D110-R310 IonicContact OD2-NH2 3.49Å; D110-R310 PolarHBondContact OD2-NH2 2.88Å; I113-R310 HydrophobicContact CD1-CB 4Å; I113-R310 HydrophobicContact CD1-CG 4.46Å; L306-R310 WeakPolarHBondContact O-CB 2.99Å; L306-R310 PolarHBondContact O-N 2.93Å; A307-R310 PolarHBondContact O-N 2.89Å; V308-R310 PolarHBondContact O-N 2.83Å; R310-T312 VanDerWaalsContact C-N 3.33Å; R310-A313 PolarHBondContact O-N 3.01Å; R310-K314 WeakPolarHBondContact O-CB 3.31Å; R310-K314 PolarHBondContact O-N 3.36Å
311I98.9Very high98.4Very high30 Ų3041.9 Ų41.915%0.15422%0.222CC..Hα-helixtrans-63.5-42.7177.8-67.2162.3000109.9V195 E200 A307 V308 A313 K314 L315V195-I311 HydrophobicContact CB-CG2 4.35Å; V195-I311 HydrophobicContact CG1-CB 3.72Å; V195-I311 HydrophobicContact CG1-CD1 4.25Å; V195-I311 HydrophobicContact CG1-CG2 3.57Å; V195-I311 HydrophobicContact CG2-CG2 3.76Å; E200-I311 HydrophobicContact CB-CD1 4.03Å; E200-I311 HydrophobicContact CB-CG1 4.21Å; E200-I311 HydrophobicContact CB-CG2 3.79Å; E200-I311 HydrophobicContact CG-CG2 3.88Å; A307-I311 WeakPolarHBondContact O-CB 3.43Å; A307-I311 WeakPolarHBondContact O-CD1 3.42Å; A307-I311 VanDerWaalsContact O-CG1 3.27Å; A307-I311 WeakPolarHBondContact O-CG1 3.43Å; A307-I311 PolarHBondContact O-N 3.35Å; V308-I311 PolarHBondContact O-N 2.99Å; I311-A313 PolarHBondContact O-N 3.27Å; I311-K314 WeakPolarHBondContact O-CB 3.49Å; I311-K314 PolarHBondContact O-N 3.26Å; I311-L315 HydrophobicContact CG2-CD1 3.93Å; I311-L315 HydrophobicContact CG2-CG 4.41Å; I311-L315 WeakPolarHBondContact O-CG 3.48Å; I311-L315 PolarHBondContact O-N 3.04Å
312T98.9Very high98.4Very high0 Ų044.3 Ų44.30%023%0.232CC..Hα-helixtrans-60.8-47.1177.2-58.10000110.9F188 L191 A192 V308 S309 R310 K314 L315 L316F188-T312 HydrophobicContact CD2-CG2 4.14Å; F188-T312 HydrophobicContact CE2-CG2 3.76Å; F188-T312 HydrophobicContact CZ-CG2 4.27Å; L191-T312 HydrophobicContact CD2-CG2 4.11Å; L191-T312 HydrophobicContact CG-CG2 4.26Å; A192-T312 HydrophobicContact CB-CG2 4.02Å; V308-T312 VanDerWaalsContact O-CB 3.25Å; V308-T312 WeakPolarHBondContact O-CB 3.25Å; V308-T312 PolarHBondContact O-N 3.25Å; V308-T312 PolarHBondContact O-OG1 3.34Å; S309-T312 PolarHBondContact O-N 2.64Å; R310-T312 VanDerWaalsContact C-N 3.33Å; T312-K314 VanDerWaalsContact C-N 3.35Å; T312-K314 PolarHBondContact O-N 3.33Å; T312-L315 PolarHBondContact O-N 2.88Å; T312-L316 HydrophobicContact CG2-CD1 4.04Å; T312-L316 HydrophobicContact CG2-CG 4.33Å; T312-L316 WeakPolarHBondContact O-CB 3.28Å; T312-L316 VanDerWaalsContact O-CG 3.32Å; T312-L316 WeakPolarHBondContact O-CG 3.34Å; T312-L316 PolarHBondContact O-N 2.82Å
313A98.8Very high98.5Very high9 Ų940.4 Ų40.47%0.07421%0.212CC..Hα-helixtrans-62.5-38.9177.300000112.9V109 S309 R310 I311 L316 T317V109-A313 HydrophobicContact CB-CB 3.94Å; V109-A313 HydrophobicContact CG1-CB 4.22Å; V109-A313 HydrophobicContact CG2-CB 3.54Å; S309-A313 WeakPolarHBondContact O-CB 3.46Å; S309-A313 PolarHBondContact O-N 2.83Å; R310-A313 PolarHBondContact O-N 3.01Å; I311-A313 PolarHBondContact O-N 3.27Å; A313-L316 PolarHBondContact O-N 3.14Å; A313-T317 WeakPolarHBondContact O-CB 3.05Å; A313-T317 PolarHBondContact O-N 2.79Å; A313-T317 PolarHBondContact O-OG1 3.08Å
314K98.8Very high98.5Very high85 Ų8541.6 Ų41.637%0.3723%0.229SC..Hα-helixtrans-59-49.3172.3179.8178.5179-171.20111.2L106 E200 R310 I311 T312 T317 E318L106-K314 HydrophobicContact CD1-CB 4.06Å; L106-K314 HydrophobicContact CD2-CB 3.91Å; L106-K314 HydrophobicContact CD2-CG 3.98Å; L106-K314 HydrophobicContact CG-CB 4.46Å; E200-K314 WeakPolarHBondContact OE1-CD 3.42Å; E200-K314 WeakPolarHBondContact OE1-CE 3.44Å; E200-K314 IonicContact OE1-NZ 3.72Å; E200-K314 PolarHBondContact OE1-NZ 3.21Å; R310-K314 WeakPolarHBondContact O-CB 3.31Å; R310-K314 PolarHBondContact O-N 3.36Å; I311-K314 WeakPolarHBondContact O-CB 3.49Å; I311-K314 PolarHBondContact O-N 3.26Å; T312-K314 VanDerWaalsContact C-N 3.35Å; T312-K314 PolarHBondContact O-N 3.33Å; K314-T317 PolarHBondContact O-N 3.32Å; K314-E318 PolarHBondContact O-N 3.31Å
315L98.9Very high98.6Very high8 Ų836.3 Ų36.34%0.04220%0.195CC..Hα-helixtrans-66.7-42.1180-67.2171000111.8L191 V195 P201 V204 M223 I311 T312 T317 E318 I319L191-L315 HydrophobicContact CD1-CB 3.99Å; L191-L315 HydrophobicContact CD1-CD1 3.83Å; L191-L315 HydrophobicContact CD2-CB 3.92Å; L191-L315 HydrophobicContact CG-CB 4.34Å; L191-L315 HydrophobicContact CG-CD1 4.5Å; V195-L315 HydrophobicContact CG2-CD1 3.62Å; P201-L315 HydrophobicContact CG-CD1 3.99Å; P201-L315 HydrophobicContact CG-CD2 3.71Å; V204-L315 HydrophobicContact CB-CD2 4.25Å; V204-L315 HydrophobicContact CG1-CD2 4.04Å; M223-L315 HydrophobicContact SD-CD1 4.2Å; I311-L315 HydrophobicContact CG2-CD1 3.93Å; I311-L315 HydrophobicContact CG2-CG 4.41Å; I311-L315 WeakPolarHBondContact O-CG 3.48Å; I311-L315 PolarHBondContact O-N 3.04Å; T312-L315 PolarHBondContact O-N 2.88Å; L315-T317 VanDerWaalsContact C-N 3.32Å; L315-T317 PolarHBondContact O-N 3.49Å; L315-E318 PolarHBondContact O-N 2.79Å; L315-I319 HydrophobicContact CB-CD1 4.42Å; L315-I319 WeakPolarHBondContact O-CB 3.44Å; L315-I319 VanDerWaalsContact O-CD1 3.31Å; L315-I319 WeakPolarHBondContact O-CD1 3.08Å; L315-I319 WeakPolarHBondContact O-CG1 3.49Å; L315-I319 PolarHBondContact O-N 3.06Å
316L98.8Very high98.6Very high6 Ų640.7 Ų40.73%0.03121%0.211CC..Hα-helixtrans-58.3-45174.2-73171.4000111.5P101 I183 M184 F188 L191 T312 A313 E318 I319 R320P101-L316 HydrophobicContact CB-CD1 4.48Å; I183-L316 HydrophobicContact CD1-CD2 4.42Å; I183-L316 HydrophobicContact CG1-CD2 3.73Å; M184-L316 HydrophobicContact SD-CB 4.13Å; M184-L316 HydrophobicContact SD-CD1 3.99Å; M184-L316 HydrophobicContact SD-CD2 4.05Å; M184-L316 HydrophobicContact SD-CG 4.28Å; F188-L316 HydrophobicContact CD2-CD1 3.88Å; F188-L316 HydrophobicContact CE2-CD1 4.3Å; L191-L316 HydrophobicContact CD2-CD2 3.52Å; L191-L316 HydrophobicContact CD2-CG 3.62Å; T312-L316 HydrophobicContact CG2-CD1 4.04Å; T312-L316 HydrophobicContact CG2-CG 4.33Å; T312-L316 WeakPolarHBondContact O-CB 3.28Å; T312-L316 VanDerWaalsContact O-CG 3.32Å; T312-L316 WeakPolarHBondContact O-CG 3.34Å; T312-L316 PolarHBondContact O-N 2.82Å; A313-L316 PolarHBondContact O-N 3.14Å; L316-E318 VanDerWaalsContact C-N 3.35Å; L316-E318 PolarHBondContact O-N 3.35Å; L316-I319 PolarHBondContact O-N 3.36Å; L316-R320 WeakPolarHBondContact O-CB 3.28Å; L316-R320 VanDerWaalsContact O-CG 3.3Å; L316-R320 WeakPolarHBondContact O-CG 3.28Å; L316-R320 PolarHBondContact O-N 3.05Å
317T98.6Very high98.6Very high42 Ų4240.5 Ų40.526%0.25821%0.21SC..Hα-helixtrans-60.1-46.2177.8-55.50000110.8N105 L106 A313 K314 L315 R321N105-T317 WeakPolarHBondContact CA-OG1 3.36Å; N105-T317 HydrophobicContact CB-CG2 4.42Å; L106-T317 PolarHBondContact N-OG1 2.85Å; A313-T317 WeakPolarHBondContact O-CB 3.05Å; A313-T317 PolarHBondContact O-N 2.79Å; A313-T317 PolarHBondContact O-OG1 3.08Å; K314-T317 PolarHBondContact O-N 3.32Å; L315-T317 VanDerWaalsContact C-N 3.32Å; L315-T317 PolarHBondContact O-N 3.49Å; T317-R321 WeakPolarHBondContact O-CB 3.45Å; T317-R321 PolarHBondContact O-N 3.46Å
318E98.8Very high98.5Very high58 Ų5841.5 Ų41.527%0.27121%0.212SC..Hα-helixtrans-68.6-42.1178.8176.754.5-159.500112.7V204 K314 L315 L316 R320 R321 Q322V204-E318 HydrophobicContact CG1-CB 4.36Å; V204-E318 HydrophobicContact CG1-CG 3.66Å; K314-E318 PolarHBondContact O-N 3.31Å; L315-E318 PolarHBondContact O-N 2.79Å; L316-E318 VanDerWaalsContact C-N 3.35Å; L316-E318 PolarHBondContact O-N 3.35Å; E318-R320 PolarHBondContact O-N 3.18Å; E318-R321 WeakPolarHBondContact O-CB 3.47Å; E318-R321 PolarHBondContact O-N 2.74Å; E318-R321 IonicContact OE1-CZ 3.3Å; E318-R321 IonicContact OE1-NE 3.7Å; E318-R321 PolarHBondContact OE1-NE 2.93Å; E318-R321 IonicContact OE1-NH2 2.74Å; E318-R321 PolarHBondContact OE1-NH2 3.34Å; E318-R321 IonicContact OE2-CZ 2.65Å; E318-R321 IonicContact OE2-NE 2.84Å; E318-R321 PolarHBondContact OE2-NE 2.94Å; E318-R321 IonicContact OE2-NH2 3.84Å; E318-Q322 WeakPolarHBondContact O-CG 3.26Å; E318-Q322 PolarHBondContact O-N 3.24Å; E318-Q322 WeakPolarHBondContact OE1-CG 3.48Å; E318-Q322 PolarHBondContact OE1-NE2 2.81Å
319I98.9Very high98.4Very high2 Ų240.8 Ų40.81%0.0121%0.209CC..Hα-helixtrans-59.2-48.7176.8-72159.5000110I183 L191 V204 A206 V221 L315 L316 R321 Q322 T323I183-I319 HydrophobicContact CD1-CD1 4.26Å; I183-I319 HydrophobicContact CD1-CG2 4.12Å; I183-I319 HydrophobicContact CG1-CG2 3.81Å; L191-I319 HydrophobicContact CD1-CD1 4.1Å; L191-I319 HydrophobicContact CD2-CD1 3.85Å; V204-I319 HydrophobicContact CG2-CD1 4.28Å; V204-I319 HydrophobicContact CG2-CG1 3.87Å; A206-I319 HydrophobicContact CB-CB 4.2Å; A206-I319 HydrophobicContact CB-CG1 4.13Å; A206-I319 HydrophobicContact CB-CG2 3.69Å; V221-I319 HydrophobicContact CG1-CD1 3.82Å; V221-I319 HydrophobicContact CG1-CG1 4.05Å; V221-I319 HydrophobicContact CG2-CD1 3.98Å; V221-I319 HydrophobicContact CG2-CG1 4.22Å; V221-I319 HydrophobicContact CG2-CG2 4.07Å; L315-I319 HydrophobicContact CB-CD1 4.42Å; L315-I319 WeakPolarHBondContact O-CB 3.44Å; L315-I319 VanDerWaalsContact O-CD1 3.31Å; L315-I319 WeakPolarHBondContact O-CD1 3.08Å; L315-I319 WeakPolarHBondContact O-CG1 3.49Å; L315-I319 PolarHBondContact O-N 3.06Å; L316-I319 PolarHBondContact O-N 3.36Å; I319-R321 VanDerWaalsContact C-N 3.33Å; I319-R321 PolarHBondContact O-N 2.79Å; I319-Q322 PolarHBondContact O-N 2.77Å; I319-T323 WeakPolarHBondContact O-CG2 3.36Å; I319-T323 PolarHBondContact O-N 2.88Å; I319-T323 PolarHBondContact O-OG1 3.44Å; I319-T323 VanDerWaalsContact O-OG1 3.14Å
320R98.5Very high98.3Very high4 Ų443.2 Ų43.22%0.01522%0.221CC..Hα-helixtrans-61.4-40.3177.3-73-168.9-53.7104.9-9.6112.2S104 I183 L316 E318 Q322 T323 G324 V325 F327 D330S104-R320 PolarHBondContact O-NH2 2.89Å; I183-R320 HydrophobicContact CG2-CG 4.16Å; L316-R320 WeakPolarHBondContact O-CB 3.28Å; L316-R320 VanDerWaalsContact O-CG 3.3Å; L316-R320 WeakPolarHBondContact O-CG 3.28Å; L316-R320 PolarHBondContact O-N 3.05Å; E318-R320 PolarHBondContact O-N 3.18Å; R320-Q322 VanDerWaalsContact C-N 3.31Å; R320-Q322 PolarHBondContact O-N 2.97Å; R320-T323 WeakPolarHBondContact CA-OG1 3.46Å; R320-T323 PolarHBondContact O-N 2.87Å; R320-T323 PolarHBondContact O-OG1 2.76Å; R320-G324 PolarHBondContact O-N 2.88Å; R320-V325 HydrophobicContact CB-CB 4.18Å; R320-V325 HydrophobicContact CG-CB 4.15Å; R320-V325 HydrophobicContact CG-CG1 4.3Å; R320-V325 PolarHBondContact NH1-O 2.99Å; R320-V325 PolarHBondContact O-N 3.46Å; R320-F327 VanDerWaalsContact CZ-CD2 3.5Å; R320-D330 IonicContact CZ-OD1 2.83Å; R320-D330 IonicContact CZ-OD2 2.84Å; R320-D330 IonicContact NH1-OD1 3.47Å; R320-D330 IonicContact NH1-OD2 2.67Å; R320-D330 PolarHBondContact NH1-OD2 3.21Å; R320-D330 IonicContact NH2-OD1 3.01Å; R320-D330 PolarHBondContact NH2-OD1 3.48Å; R320-D330 IonicContact NH2-OD2 2.64Å
321R98.2Very high97.9Very high165 Ų16543.4 Ų43.462%0.62324%0.238SC*.Hα-helixtrans-59.1-41.8174.6-168.6-161.566.772.21.4111.7T317 E318 I319T317-R321 WeakPolarHBondContact O-CB 3.45Å; T317-R321 PolarHBondContact O-N 3.46Å; E318-R321 WeakPolarHBondContact O-CB 3.47Å; E318-R321 PolarHBondContact O-N 2.74Å; E318-R321 IonicContact OE1-CZ 3.3Å; E318-R321 IonicContact OE1-NE 3.7Å; E318-R321 PolarHBondContact OE1-NE 2.93Å; E318-R321 IonicContact OE1-NH2 2.74Å; E318-R321 PolarHBondContact OE1-NH2 3.34Å; E318-R321 IonicContact OE2-CZ 2.65Å; E318-R321 IonicContact OE2-NE 2.84Å; E318-R321 PolarHBondContact OE2-NE 2.94Å; E318-R321 IonicContact OE2-NH2 3.84Å; I319-R321 VanDerWaalsContact C-N 3.33Å; I319-R321 PolarHBondContact O-N 2.79Å
322Q98.8Very high97.3Very high63 Ų6346.5 Ų46.529%0.29426%0.258SS..Hα-helixtrans-70.5-36.1178.2-68.3-178.622.500112.9V204 Q205 A206 E318 I319 R320V204-Q322 PolarHBondContact O-NE2 2.84Å; Q205-Q322 VanDerWaalsContact CA-OE1 3.24Å; A206-Q322 HydrophobicContact CB-CB 4.47Å; E318-Q322 WeakPolarHBondContact O-CG 3.26Å; E318-Q322 PolarHBondContact O-N 3.24Å; E318-Q322 WeakPolarHBondContact OE1-CG 3.48Å; E318-Q322 PolarHBondContact OE1-NE2 2.81Å; I319-Q322 PolarHBondContact O-N 2.77Å; R320-Q322 VanDerWaalsContact C-N 3.31Å; R320-Q322 PolarHBondContact O-N 2.97Å
323T98.5Very high96.4Very high20 Ų2056.2 Ų56.212%0.12330%0.3CS..Hα-helixtrans-86.3-11.6-178.359.40000113.8A206 A208 L210 I319 R320A206-T323 HydrophobicContact CB-CG2 4Å; A208-T323 HydrophobicContact CB-CG2 3.63Å; L210-T323 WeakPolarHBondContact CD1-O 3.5Å; I319-T323 WeakPolarHBondContact O-CG2 3.36Å; I319-T323 PolarHBondContact O-N 2.88Å; I319-T323 PolarHBondContact O-OG1 3.44Å; I319-T323 VanDerWaalsContact O-OG1 3.14Å; R320-T323 WeakPolarHBondContact CA-OG1 3.46Å; R320-T323 PolarHBondContact O-N 2.87Å; R320-T323 PolarHBondContact O-OG1 2.76Å
324G98Very high95.6Very high42 Ų4262.5 Ų62.543%0.43333%0.332SS..THydrogen-bonded Turntrans82.815.5-179.500000114.4R320R320-G324 PolarHBondContact O-N 2.88Å
325V98.4Very high95.4Very high2 Ų261.4 Ų61.41%0.01233%0.33CS..  trans-80.6117.6174.9177.90000109.6L210 D216 R320 F327L210-V325 HydrophobicContact CD2-CG2 4.35Å; L210-V325 HydrophobicContact CG-CG2 4.28Å; D216-V325 HydrophobicContact CB-CG2 3.92Å; R320-V325 HydrophobicContact CB-CB 4.18Å; R320-V325 HydrophobicContact CG-CB 4.15Å; R320-V325 HydrophobicContact CG-CG1 4.3Å; R320-V325 PolarHBondContact NH1-O 2.99Å; R320-V325 PolarHBondContact O-N 3.46Å; V325-F327 HydrophobicContact CG1-CD1 4.29Å; V325-F327 HydrophobicContact CG1-CE1 3.52Å; V325-F327 HydrophobicContact CG1-CZ 3.82Å
326I97.9Very high95.2Very high117 Ų11764.2 Ų64.260%0.635%0.345SS*.  trans-119.7131.8-176.4-57.9171.6000109.5
327F98.1Very high95Very high2 Ų267.4 Ų67.41%0.00936%0.363CS..  trans-107153.6173.1-57.2-34000111P176 N180 M184 V215 R320 V325 A329 D330P176-F327 HydrophobicContact CB-CD1 4.03Å; P176-F327 HydrophobicContact CB-CE1 4.45Å; P176-F327 WeakPolarHBondContact O-CD1 3.45Å; N180-F327 VanDerWaalsContact O-CE1 3.23Å; N180-F327 WeakPolarHBondContact O-CE1 3.02Å; N180-F327 VanDerWaalsContact O-CZ 3.29Å; N180-F327 WeakPolarHBondContact O-CZ 3.33Å; M184-F327 HydrophobicContact CE-CE2 3.96Å; M184-F327 HydrophobicContact CG-CE2 3.74Å; M184-F327 HydrophobicContact CG-CZ 3.67Å; M184-F327 HydrophobicContact SD-CE2 4.12Å; V215-F327 HydrophobicContact CG1-CE1 4.44Å; R320-F327 VanDerWaalsContact CZ-CD2 3.5Å; V325-F327 HydrophobicContact CG1-CD1 4.29Å; V325-F327 HydrophobicContact CG1-CE1 3.52Å; V325-F327 HydrophobicContact CG1-CZ 3.82Å; F327-A329 PolarHBondContact O-N 2.85Å; F327-A329 VanDerWaalsContact O-N 3.17Å; F327-D330 PolarHBondContact N-OD2 2.58Å; F327-D330 WeakPolarHBondContact O-CB 3.11Å; F327-D330 PolarHBondContact O-N 2.98Å
328P97.3Very high94.8Very high79 Ų7968.9 Ų68.951%0.51337%0.369SS..G310 helixtrans-53.7-35.2173.5-27.936.4000113.4P176 D330 S331P176-P328 VanDerWaalsContact O-CD 3.26Å; P176-P328 WeakPolarHBondContact O-CD 3.41Å; P328-D330 PolarHBondContact O-N 3.19Å; P328-S331 PolarHBondContact O-N 3.29Å; P328-S331 VanDerWaalsContact O-N 3.13Å
329A96.6Very high94.6Very high15 Ų1569.6 Ų69.612%0.12438%0.375CS..G310 helixtrans-61.1-24177.800000113.8N105 F327 S331 V332N105-A329 PolarHBondContact ND2-O 3.48Å; F327-A329 PolarHBondContact O-N 2.85Å; F327-A329 VanDerWaalsContact O-N 3.17Å; A329-S331 PolarHBondContact O-N 3.11Å; A329-V332 PolarHBondContact O-N 2.76Å
330D96Very high94.3Very high58 Ų5874.1 Ų74.131%0.3140%0.399SS..G310 helixtrans-71.4-13.7178.6-59-35.8000112.6N105 R320 F327 P328N105-D330 PolarHBondContact ND2-OD1 3.48Å; R320-D330 IonicContact CZ-OD1 2.83Å; R320-D330 IonicContact CZ-OD2 2.84Å; R320-D330 IonicContact NH1-OD1 3.47Å; R320-D330 IonicContact NH1-OD2 2.67Å; R320-D330 PolarHBondContact NH1-OD2 3.21Å; R320-D330 IonicContact NH2-OD1 3.01Å; R320-D330 PolarHBondContact NH2-OD1 3.48Å; R320-D330 IonicContact NH2-OD2 2.64Å; F327-D330 PolarHBondContact N-OD2 2.58Å; F327-D330 WeakPolarHBondContact O-CB 3.11Å; F327-D330 PolarHBondContact O-N 2.98Å; P328-D330 PolarHBondContact O-N 3.19Å
331S91.3Very high94Very high105 Ų10579.1 Ų79.173%0.73443%0.427SS*.G310 helixtrans-96.2-5.7178.5-58.30000113.7P328 A329P328-S331 PolarHBondContact O-N 3.29Å; P328-S331 VanDerWaalsContact O-N 3.13Å; A329-S331 PolarHBondContact O-N 3.11Å
332V86Confident93.7Very high95 Ų9572.5 Ų72.558%0.57641%0.411SS*.  trans-89.1128.2-178.4-176.60000109.2A329A329-V332 PolarHBondContact O-N 2.76Å
333K78.5Confident93.2Very high203 Ų20373.3 Ų73.388%0.88342%0.421SS*.  trans-90.8125.3168.6-70.7-174.8178-177.80108.6
334L82.4Confident92.8Very high141 Ų14178.1 Ų78.174%0.73845%0.448SS*.  trans-78.70175.7-63.2175.2000112F83 A107 E108 A111F83-L334 HydrophobicContact CE1-CD1 4.37Å; F83-L334 HydrophobicContact CE1-CD2 3.48Å; F83-L334 VanDerWaalsContact CE1-CD2 3.48Å; F83-L334 HydrophobicContact CZ-CD1 4.03Å; F83-L334 HydrophobicContact CZ-CD2 3.76Å; A107-L334 VanDerWaalsContact C-CD1 3.49Å; A107-L334 HydrophobicContact CB-CD1 4.07Å; A107-L334 WeakPolarHBondContact O-CD1 3.49Å; E108-L334 HydrophobicContact CG-CD1 4.26Å; A111-L334 HydrophobicContact CB-CD1 3.82Å

Retrieved 334 of 334 residues in 359.8 ms (Link to these results)

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