A0A060WFU5_ONCMY Loading...

Ras-related protein Rab-1A

AlphaFold DB , UniProt , Accession A0A060WFU5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 201 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
1M45.5Very low81.5Confident239 Ų23983.1 Ų83.1100%1.17742%0.419SS*.  0114.90-74.7175.4170.800106.5
2N50.7Low82.6Confident162 Ų16276.2 Ų76.287%0.86638%0.384SS*.  trans-61.3135.5174.7-86.8-5.8000108.5E4N2-E4 PolarHBondContact O-N 3.35Å
3P65.2Low83.6Confident99 Ų9970.4 Ų70.464%0.64336%0.355SS*.  trans-61133.9173.825.1-30.3000109Y5P3-Y5 PolarHBondContact O-N 3.48Å; P3-Y5 VanDerWaalsContact O-N 3.1Å
4E83.1Confident84.2Confident168 Ų16865.4 Ų65.479%0.78533%0.33SS*.SBendtrans-68.9-1-179.3-161.4178.7-173.300112.8N2N2-E4 PolarHBondContact O-N 3.35Å
5Y88.4Confident84.8Confident78 Ų7861 Ų6131%0.30631%0.308SS..  trans-151.5150.3-17955.4-92.8000110.5P3 Y7 L8 K58P3-Y5 PolarHBondContact O-N 3.48Å; P3-Y5 VanDerWaalsContact O-N 3.1Å; Y5-Y7 VanDerWaalsContact CD2-O 3.3Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.33Å; Y5-L8 HydrophobicContact CD2-CB 4.29Å; Y5-L8 HydrophobicContact CE2-CB 3.7Å; Y5-K58 HydrophobicContact CD1-CB 4.22Å; Y5-K58 HydrophobicContact CD1-CD 3.78Å; Y5-K58 HydrophobicContact CD2-CB 4.31Å; Y5-K58 HydrophobicContact CE1-CD 3.86Å; Y5-K58 HydrophobicContact CG-CB 3.97Å; Y5-K58 HydrophobicContact CG-CD 4.38Å
6D90.4Very high85.3Confident55 Ų5558.4 Ų58.429%0.29430%0.295SS..SBendtrans-77.9-38.4174.9-64-86.9000111.8R55 T56D6-R55 HydrophobicContact CB-CB 4.21Å; D6-R55 VanDerWaalsContact CG-CD 3.45Å; D6-R55 WeakPolarHBondContact OD1-CD 3.4Å; D6-R55 IonicContact OD1-CZ 3.53Å; D6-R55 IonicContact OD1-NH1 3.81Å; D6-R55 PolarHBondContact OD1-NH1 3.24Å; D6-R55 VanDerWaalsContact OD2-CA 3.3Å; D6-R55 WeakPolarHBondContact OD2-CA 3.49Å; D6-T56 PolarHBondContact N-O 2.84Å; D6-T56 PolarHBondContact OD2-N 2.68Å
7Y92.6Very high85.5Confident18 Ų1857.8 Ų57.87%0.07130%0.298CS..EExtended strand (participates in β ladder)trans-135.7148.1-174.6-63-79.9000112.6Y5 F9 R55 T56 I57 K58 T178Y5-Y7 VanDerWaalsContact CD2-O 3.3Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.33Å; Y7-F9 AromaticContact CD1-CE1 3.95Å; Y7-F9 HydrophobicContact CD1-CE1 3.95Å; Y7-F9 HydrophobicContact CD1-CZ 4.2Å; Y7-F9 AromaticContact CG-CE1 3.97Å; Y7-F9 HydrophobicContact CG-CE1 3.97Å; Y7-F9 AromaticContact CG-CZ 3.99Å; Y7-F9 HydrophobicContact CG-CZ 3.99Å; Y7-R55 HydrophobicContact CD2-CB 4.25Å; Y7-R55 HydrophobicContact CE2-CB 4.12Å; Y7-R55 HydrophobicContact CE2-CG 4.07Å; Y7-T56 PolarHBondContact N-O 3.31Å; Y7-I57 HydrophobicContact CD2-CG1 4.15Å; Y7-K58 PolarHBondContact O-N 3.39Å; Y7-T178 HydrophobicContact CD1-CG2 4.09Å; Y7-T178 HydrophobicContact CE1-CG2 3.42Å; Y7-T178 VanDerWaalsContact CE1-CG2 3.42Å; Y7-T178 HydrophobicContact CE2-CG2 4.32Å
8L94.3Very high85.8Confident60 Ų6056.1 Ų56.131%0.31430%0.296SS..EExtended strand (participates in β ladder)trans-123.9113.5172.1179.768.1000109.2Y5 K58 Q60Y5-L8 HydrophobicContact CD2-CB 4.29Å; Y5-L8 HydrophobicContact CE2-CB 3.7Å; L8-K58 WeakPolarHBondContact CA-O 3.44Å; L8-K58 HydrophobicContact CD1-CB 3.83Å; L8-K58 HydrophobicContact CD1-CD 4.08Å; L8-K58 HydrophobicContact CD1-CG 3.84Å; L8-Q60 HydrophobicContact CD1-CG 3.73Å
9F95.6Very high86.2Confident1 Ų153.2 Ų53.20%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-111.9129.5178.5-57.6-20.6000111.1Y7 I57 K58 L59 Q60 H82 A166 I169 K170 M173Y7-F9 AromaticContact CD1-CE1 3.95Å; Y7-F9 HydrophobicContact CD1-CE1 3.95Å; Y7-F9 HydrophobicContact CD1-CZ 4.2Å; Y7-F9 AromaticContact CG-CE1 3.97Å; Y7-F9 HydrophobicContact CG-CE1 3.97Å; Y7-F9 AromaticContact CG-CZ 3.99Å; Y7-F9 HydrophobicContact CG-CZ 3.99Å; F9-I57 HydrophobicContact CD2-CG2 3.56Å; F9-I57 HydrophobicContact CE2-CD1 3.89Å; F9-I57 HydrophobicContact CE2-CG2 3.64Å; F9-I57 HydrophobicContact CG-CG2 4.08Å; F9-I57 HydrophobicContact CZ-CD1 4.3Å; F9-I57 HydrophobicContact CZ-CG2 4.19Å; F9-K58 PolarHBondContact N-O 3.39Å; F9-L59 HydrophobicContact CB-CD2 3.91Å; F9-L59 HydrophobicContact CD2-CD2 3.98Å; F9-L59 HydrophobicContact CG-CD2 4.38Å; F9-Q60 PolarHBondContact O-N 2.74Å; F9-H82 HydrophobicContact CB-CB 4.49Å; F9-A166 HydrophobicContact CD2-CB 4.34Å; F9-A166 HydrophobicContact CE2-CB 4.45Å; F9-A166 WeakPolarHBondContact CE2-O 3.37Å; F9-I169 HydrophobicContact CB-CD1 4.41Å; F9-I169 HydrophobicContact CD1-CG2 3.79Å; F9-I169 HydrophobicContact CD2-CB 4.1Å; F9-I169 HydrophobicContact CD2-CD1 4.27Å; F9-I169 HydrophobicContact CD2-CG2 3.83Å; F9-I169 HydrophobicContact CE1-CG2 3.84Å; F9-I169 HydrophobicContact CE2-CB 4.04Å; F9-I169 HydrophobicContact CE2-CG2 3.82Å; F9-I169 HydrophobicContact CG-CD1 4.46Å; F9-I169 HydrophobicContact CG-CG2 3.83Å; F9-I169 HydrophobicContact CZ-CB 4.46Å; F9-I169 HydrophobicContact CZ-CG2 3.84Å; F9-K170 HydrophobicContact CE2-CB 4.24Å; F9-K170 HydrophobicContact CZ-CB 4.1Å; F9-M173 HydrophobicContact CD1-CE 3.44Å; F9-M173 VanDerWaalsContact CD1-CE 3.44Å; F9-M173 HydrophobicContact CE1-CE 3.02Å; F9-M173 HydrophobicContact CZ-CE 3.88Å
10K94.9Very high86.6Confident34 Ų3451.1 Ų51.115%0.14827%0.272CS..EExtended strand (participates in β ladder)trans-90.3116.9169.9-178.3177.9169.3-170.60109.6Q60 Y77 R79 H82 G83K10-Q60 CarbonylContact C-O 3.55Å; K10-Q60 WeakPolarHBondContact CA-O 3.46Å; K10-Y77 WeakPolarHBondContact CE-O 3.4Å; K10-Y77 PolarHBondContact NZ-O 3.18Å; K10-R79 PolarHBondContact NZ-O 3.46Å; K10-H82 PolarHBondContact N-ND1 2.76Å; K10-H82 PolarHBondContact O-N 2.66Å; K10-G83 PolarHBondContact O-N 3.48Å
11L96Very high86.9Confident0 Ų049 Ų490%026%0.261CS..EExtended strand (participates in β ladder)trans-109.9146.2176-55.1-172.3000110.6L59 Q60 I61 W62 G83 F162 M165 I169L11-L59 HydrophobicContact CD1-CD1 4.28Å; L11-L59 HydrophobicContact CD1-CD2 4.24Å; L11-Q60 PolarHBondContact N-O 2.96Å; L11-I61 HydrophobicContact CB-CG1 4.28Å; L11-I61 HydrophobicContact CB-CG2 4.39Å; L11-I61 HydrophobicContact CD1-CG1 4.27Å; L11-W62 PolarHBondContact O-N 3.12Å; L11-G83 WeakPolarHBondContact CA-O 2.88Å; L11-F162 HydrophobicContact CD1-CD1 4.13Å; L11-M165 HydrophobicContact CD1-CG 4.17Å; L11-M165 HydrophobicContact CD2-CG 3.65Å; L11-I169 HydrophobicContact CD2-CD1 3.36Å
12L94.8Very high89.2Confident0 Ų039.1 Ų39.10%022%0.215CC..EExtended strand (participates in β ladder)trans-125.6130.8176-171.867.2000109.7I14 W62 T64 Y78 G83 I84 I85L12-I14 HydrophobicContact CD2-CG2 3.76Å; L12-I14 HydrophobicContact CG-CG2 3.79Å; L12-W62 HydrophobicContact CD1-CB 3.57Å; L12-T64 HydrophobicContact CD1-CG2 3.48Å; L12-T64 VanDerWaalsContact CD1-CG2 3.48Å; L12-T64 HydrophobicContact CG-CG2 4.23Å; L12-Y78 HydrophobicContact CD2-CD1 3.93Å; L12-Y78 HydrophobicContact CD2-CD2 4.27Å; L12-Y78 HydrophobicContact CD2-CE1 4.03Å; L12-Y78 HydrophobicContact CD2-CE2 4.4Å; L12-Y78 HydrophobicContact CD2-CG 4.04Å; L12-G83 PolarHBondContact N-O 3.11Å; L12-G83 VanDerWaalsContact N-O 3.13Å; L12-I84 HydrophobicContact CB-CG1 4.19Å; L12-I84 HydrophobicContact CB-CG2 4.49Å; L12-I84 WeakPolarHBondContact O-CA 3.22Å; L12-I85 PolarHBondContact O-N 2.67Å
13L94.6Very high91.2Very high1 Ų133 Ų331%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-94.9124.4169.5-55.8-176.7000109.2K21 L25 I61 W62 T64 I85 F162L13-K21 HydrophobicContact CB-CB 4.24Å; L13-K21 HydrophobicContact CB-CD 4.38Å; L13-K21 HydrophobicContact CD1-CB 4.42Å; L13-K21 WeakPolarHBondContact CD1-O 3.19Å; L13-L25 HydrophobicContact CD1-CB 3.92Å; L13-I61 HydrophobicContact CD1-CG2 4.3Å; L13-I61 HydrophobicContact CD2-CG2 4.49Å; L13-I61 HydrophobicContact CG-CG2 4.09Å; L13-W62 PolarHBondContact N-O 3.34Å; L13-T64 WeakPolarHBondContact O-CG2 3.48Å; L13-T64 PolarHBondContact O-OG1 3.37Å; L13-I85 HydrophobicContact CD2-CB 3.7Å; L13-I85 HydrophobicContact CD2-CD1 3.86Å; L13-I85 HydrophobicContact CD2-CG1 4.16Å; L13-I85 HydrophobicContact CD2-CG2 4.23Å; L13-F162 HydrophobicContact CD1-CZ 4.41Å; L13-F162 HydrophobicContact CD2-CE1 4.01Å; L13-F162 HydrophobicContact CD2-CZ 4.18Å
14I93.2Very high92.6Very high0 Ų028.4 Ų28.40%016%0.155CC..EExtended strand (participates in β ladder)trans-13116317671.4171.3000110.8L12 K21 Y78 I84 I85 V86 V87 W102 I106L12-I14 HydrophobicContact CD2-CG2 3.76Å; L12-I14 HydrophobicContact CG-CG2 3.79Å; I14-K21 VanDerWaalsContact C-CD 3.42Å; I14-Y78 HydrophobicContact CD1-CE1 4.17Å; I14-Y78 HydrophobicContact CG2-CE1 4.27Å; I14-I84 HydrophobicContact CD1-CG2 3.79Å; I14-I84 HydrophobicContact CG1-CG2 3.82Å; I14-I84 HydrophobicContact CG2-CG2 4.22Å; I14-I85 PolarHBondContact N-O 3.48Å; I14-V86 HydrophobicContact CD1-CG2 4.01Å; I14-V86 HydrophobicContact CG1-CB 4.33Å; I14-V86 HydrophobicContact CG1-CG1 4.32Å; I14-V86 HydrophobicContact CG1-CG2 3.96Å; I14-V87 PolarHBondContact O-N 3.31Å; I14-W102 HydrophobicContact CB-CE3 4.16Å; I14-W102 HydrophobicContact CB-CZ3 4.43Å; I14-W102 HydrophobicContact CD1-CB 3.93Å; I14-W102 HydrophobicContact CD1-CD2 4.43Å; I14-W102 HydrophobicContact CD1-CE3 4Å; I14-W102 HydrophobicContact CD1-CG 4.47Å; I14-W102 HydrophobicContact CG1-CE3 4.41Å; I14-I106 HydrophobicContact CD1-CD1 3.62Å; I14-I106 HydrophobicContact CD1-CG1 3.7Å
15G93.3Very high93.1Very high0 Ų020.4 Ų20.40%012%0.117CC..  trans139.5170.2-17400000111.3K21 G66 V87 W102G15-K21 PolarHBondContact O-NZ 2.66Å; G15-G66 WeakPolarHBondContact O-CA 3.44Å; G15-V87 WeakPolarHBondContact CA-O 3.14Å; G15-W102 WeakPolarHBondContact O-CZ2 3.44Å
16D91.8Very high93.3Very high19 Ų1919 Ų1910%0.10212%0.115CC..  trans-63.8163.7-175.2-73.3-0.5000112.9V19 K21 R71 N98 W102D16-V19 HydrophobicContact CB-CG1 3.89Å; D16-V19 VanDerWaalsContact O-CG2 3.24Å; D16-V19 WeakPolarHBondContact O-CG2 3.12Å; D16-K21 PolarHBondContact O-NZ 3.31Å; D16-R71 IonicContact OD1-NH2 2.85Å; D16-N98 WeakPolarHBondContact OD2-CB 3.36Å; D16-N98 PolarHBondContact OD2-ND2 2.97Å; D16-W102 PolarHBondContact OD1-NE1 2.8Å
17S89.6Confident93.5Very high49 Ų4918.4 Ų18.434%0.34311%0.109SC..THydrogen-bonded Turntrans-62.1142172.8-169.80000110V19 G66S17-V19 VanDerWaalsContact C-N 3.29Å; S17-V19 PolarHBondContact O-N 3.24Å; S17-G66 PolarHBondContact N-O 2.83Å
18G90.2Very high93.6Very high27 Ų2717.7 Ų17.728%0.27811%0.106SC..THydrogen-bonded Turntrans83-10175.500000116.5G20 K122G18-G20 PolarHBondContact O-N 3.31Å; G18-K122 WeakPolarHBondContact O-CE 3.44Å; G18-K122 PolarHBondContact O-NZ 3.45Å
19V94.2Very high93.4Very high1 Ų116 Ų161%0.00610%0.101CC..SBendtrans-70-15.4-179.5-540000114D16 S17 K21 V87 D89 N121D16-V19 HydrophobicContact CB-CG1 3.89Å; D16-V19 VanDerWaalsContact O-CG2 3.24Å; D16-V19 WeakPolarHBondContact O-CG2 3.12Å; S17-V19 VanDerWaalsContact C-N 3.29Å; S17-V19 PolarHBondContact O-N 3.24Å; V19-K21 HydrophobicContact CG2-CD 4.38Å; V19-K21 HydrophobicContact CG2-CG 3.72Å; V19-V87 HydrophobicContact CB-CG1 4.38Å; V19-V87 HydrophobicContact CG2-CB 4Å; V19-V87 HydrophobicContact CG2-CG1 3.85Å; V19-D89 HydrophobicContact CB-CB 4.25Å; V19-D89 HydrophobicContact CG1-CB 4.22Å; V19-N121 PolarHBondContact O-ND2 3.01Å
20G93.5Very high93.1Very high10 Ų1019.5 Ų19.510%0.10312%0.119CC..  trans99.125.9173.600000116G18 C23 L24G18-G20 PolarHBondContact O-N 3.31Å; G20-C23 PolarHBondContact O-N 3.44Å; G20-L24 PolarHBondContact O-N 2.91Å
21K93.9Very high92.8Very high9 Ų923.2 Ų23.24%0.03914%0.141CC..Hα-helixtrans-54.1-51.8175-58-175.6-61.7-75.40112.8L13 I14 G15 D16 V19 C23 L24 L25 D63 T64 V87L13-K21 HydrophobicContact CB-CB 4.24Å; L13-K21 HydrophobicContact CB-CD 4.38Å; L13-K21 HydrophobicContact CD1-CB 4.42Å; L13-K21 WeakPolarHBondContact CD1-O 3.19Å; I14-K21 VanDerWaalsContact C-CD 3.42Å; G15-K21 PolarHBondContact O-NZ 2.66Å; D16-K21 PolarHBondContact O-NZ 3.31Å; V19-K21 HydrophobicContact CG2-CD 4.38Å; V19-K21 HydrophobicContact CG2-CG 3.72Å; K21-C23 VanDerWaalsContact C-N 3.29Å; K21-C23 PolarHBondContact O-N 3.09Å; K21-L24 WeakPolarHBondContact O-CB 3.45Å; K21-L24 PolarHBondContact O-N 3.34Å; K21-L25 PolarHBondContact O-N 2.93Å; K21-D63 WeakPolarHBondContact CB-OD1 3.45Å; K21-T64 WeakPolarHBondContact CE-O 3.28Å; K21-V87 HydrophobicContact CG-CB 4Å; K21-V87 HydrophobicContact CG-CG2 4.09Å
22S92.2Very high92.4Very high30 Ų3026.5 Ų26.521%0.2116%0.161CC..Hα-helixtrans-62.1-37.6177.8-41.60000111.8L25 L26 T40 D63S22-L25 PolarHBondContact O-N 3.12Å; S22-L26 WeakPolarHBondContact O-CB 3.43Å; S22-L26 VanDerWaalsContact O-CG 3.29Å; S22-L26 WeakPolarHBondContact O-CG 3.45Å; S22-L26 PolarHBondContact O-N 3.4Å; S22-T40 PolarHBondContact OG-OG1 3.11Å; S22-D63 WeakPolarHBondContact CA-OD2 3.43Å; S22-D63 WeakPolarHBondContact CB-OD2 3.46Å; S22-D63 PolarHBondContact N-OD1 3.43Å; S22-D63 PolarHBondContact OG-OD2 3.28Å
23C93.3Very high92Very high33 Ų3330.7 Ų30.722%0.22318%0.177CC..Hα-helixtrans-67.2-39.7176.9-520000111.6G20 K21 R27 Y33 A152G20-C23 PolarHBondContact O-N 3.44Å; K21-C23 VanDerWaalsContact C-N 3.29Å; K21-C23 PolarHBondContact O-N 3.09Å; C23-R27 WeakPolarHBondContact O-CB 3.35Å; C23-R27 PolarHBondContact O-N 3.49Å; C23-Y33 HydrophobicContact CB-CD2 4.35Å; C23-Y33 HydrophobicContact CB-CE2 4.31Å; C23-A152 HydrophobicContact CB-CB 3.63Å
24L94.8Very high91.3Very high3 Ų334 Ų342%0.01620%0.197CC..Hα-helixtrans-62.9-42.9172.6-74.1171.4000111.3G20 K21 F28 V87 V119 N121 A152 V158G20-L24 PolarHBondContact O-N 2.91Å; K21-L24 WeakPolarHBondContact O-CB 3.45Å; K21-L24 PolarHBondContact O-N 3.34Å; L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.14Å; L24-F28 PolarHBondContact O-N 3.2Å; L24-V87 HydrophobicContact CD1-CG1 3.84Å; L24-V87 HydrophobicContact CD1-CG2 4.09Å; L24-V119 HydrophobicContact CD1-CG1 4.06Å; L24-N121 HydrophobicContact CD1-CB 4.27Å; L24-A152 HydrophobicContact CD2-CB 4.01Å; L24-A152 HydrophobicContact CG-CB 4.26Å; L24-V158 HydrophobicContact CD2-CG1 4.24Å; L24-V158 HydrophobicContact CD2-CG2 3.73Å
25L94.3Very high90.4Very high1 Ų140.9 Ų40.91%0.00523%0.23CC..Hα-helixtrans-61.5-49.6176.7-179.156.5000111.8L13 K21 S22 F28 A29 K46 I61 D63L13-L25 HydrophobicContact CD1-CB 3.92Å; K21-L25 PolarHBondContact O-N 2.93Å; S22-L25 PolarHBondContact O-N 3.12Å; L25-F28 PolarHBondContact O-N 2.98Å; L25-A29 VanDerWaalsContact O-CB 3.25Å; L25-A29 WeakPolarHBondContact O-CB 3.17Å; L25-A29 PolarHBondContact O-N 3.09Å; L25-K46 HydrophobicContact CD1-CB 3.92Å; L25-K46 HydrophobicContact CD1-CG 4.27Å; L25-K46 HydrophobicContact CD2-CB 4.17Å; L25-K46 HydrophobicContact CD2-CG 3.9Å; L25-K46 HydrophobicContact CG-CB 4.22Å; L25-K46 HydrophobicContact CG-CG 4.02Å; L25-I61 HydrophobicContact CD1-CB 3.72Å; L25-I61 HydrophobicContact CD1-CD1 4.01Å; L25-I61 HydrophobicContact CD1-CG1 4.48Å; L25-I61 HydrophobicContact CD1-CG2 3.54Å; L25-D63 HydrophobicContact CD2-CB 3.51Å
26L92.4Very high89.3Confident47 Ų4744.2 Ų44.225%0.24625%0.253CS..Hα-helixtrans-65.3-41.6-179.8-70.6172.8000111.8S22 F28 A29 D30 D31 T32S22-L26 WeakPolarHBondContact O-CB 3.43Å; S22-L26 VanDerWaalsContact O-CG 3.29Å; S22-L26 WeakPolarHBondContact O-CG 3.45Å; S22-L26 PolarHBondContact O-N 3.4Å; L26-F28 VanDerWaalsContact C-N 3.3Å; L26-F28 PolarHBondContact O-N 3.41Å; L26-A29 PolarHBondContact O-N 2.91Å; L26-D30 PolarHBondContact O-N 2.85Å; L26-D31 PolarHBondContact O-N 3.44Å; L26-T32 CarbonylContact C-O 3.4Å
27R94.6Very high87.9Confident44 Ų4449.4 Ų49.417%0.16628%0.275CS..Hα-helixtrans-61.9-41175.8177.156.573.3-1747.6111.1C23 D31 T32 A152 K153 A155 V158C23-R27 WeakPolarHBondContact O-CB 3.35Å; C23-R27 PolarHBondContact O-N 3.49Å; R27-D31 WeakPolarHBondContact CD-OD1 3.38Å; R27-D31 IonicContact CZ-OD1 3.31Å; R27-D31 VanDerWaalsContact NH1-C 3.33Å; R27-D31 PolarHBondContact NH1-O 3.03Å; R27-D31 IonicContact NH1-OD1 3.52Å; R27-D31 PolarHBondContact NH1-OD1 3.09Å; R27-D31 VanDerWaalsContact O-CA 3.28Å; R27-D31 WeakPolarHBondContact O-CA 3.47Å; R27-D31 PolarHBondContact O-N 2.67Å; R27-T32 WeakPolarHBondContact CA-O 3.35Å; R27-T32 PolarHBondContact N-O 3.2Å; R27-A152 HydrophobicContact CB-CB 4.46Å; R27-A152 PolarHBondContact NE-O 3.48Å; R27-K153 PolarHBondContact NH2-O 3.09Å; R27-K153 VanDerWaalsContact NH2-O 3.1Å; R27-A155 HydrophobicContact CG-CB 4.19Å; R27-V158 HydrophobicContact CB-CG1 4.19Å; R27-V158 HydrophobicContact CG-CB 4.17Å; R27-V158 HydrophobicContact CG-CG1 3.88Å; R27-V158 HydrophobicContact CG-CG2 4.02Å
28F94.6Very high87Confident3 Ų353.7 Ų53.71%0.01329%0.292CS..Hα-helixtrans-72.2-45.7176.2-179-105.6000112.5L24 L25 L26 R48 I50 L59 I61 V158 E159 F162L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.14Å; L24-F28 PolarHBondContact O-N 3.2Å; L25-F28 PolarHBondContact O-N 2.98Å; L26-F28 VanDerWaalsContact C-N 3.3Å; L26-F28 PolarHBondContact O-N 3.41Å; F28-R48 HydrophobicContact CE1-CB 3.95Å; F28-R48 HydrophobicContact CE1-CG 4.13Å; F28-R48 HydrophobicContact CZ-CG 4.44Å; F28-R48 VanDerWaalsContact O-CD 3.3Å; F28-R48 WeakPolarHBondContact O-CD 3.49Å; F28-R48 PolarHBondContact O-NH1 2.97Å; F28-I50 HydrophobicContact CZ-CG2 4.08Å; F28-L59 HydrophobicContact CE1-CD1 4.1Å; F28-L59 HydrophobicContact CZ-CD1 3.98Å; F28-I61 HydrophobicContact CD1-CD1 3.58Å; F28-I61 HydrophobicContact CE1-CD1 3.53Å; F28-V158 HydrophobicContact CB-CG1 3.99Å; F28-E159 WeakPolarHBondContact CD2-OE2 3.2Å; F28-E159 VanDerWaalsContact CE2-OE2 3.28Å; F28-E159 WeakPolarHBondContact CE2-OE2 3.23Å; F28-F162 HydrophobicContact CB-CD2 3.69Å; F28-F162 HydrophobicContact CB-CE2 3.49Å; F28-F162 VanDerWaalsContact CB-CE2 3.49Å; F28-F162 HydrophobicContact CB-CZ 4.19Å; F28-F162 HydrophobicContact CD1-CB 4.41Å; F28-F162 HydrophobicContact CD1-CD1 4.18Å; F28-F162 AromaticContact CD1-CD2 3.89Å; F28-F162 HydrophobicContact CD1-CD2 3.89Å; F28-F162 HydrophobicContact CD1-CE1 4.45Å; F28-F162 HydrophobicContact CD1-CE2 4.19Å; F28-F162 AromaticContact CD1-CG 3.9Å; F28-F162 HydrophobicContact CD1-CG 3.9Å; F28-F162 HydrophobicContact CD1-CZ 4.45Å; F28-F162 HydrophobicContact CD2-CB 3.88Å; F28-F162 AromaticContact CD2-CD2 3.34Å; F28-F162 HydrophobicContact CD2-CD2 3.34Å; F28-F162 HydrophobicContact CD2-CE2 4.09Å; F28-F162 AromaticContact CD2-CG 3.78Å; F28-F162 HydrophobicContact CD2-CG 3.78Å; F28-F162 HydrophobicContact CE1-CB 4.04Å; F28-F162 HydrophobicContact CE1-CD1 4.26Å; F28-F162 HydrophobicContact CE1-CD2 4.37Å; F28-F162 AromaticContact CE1-CG 3.97Å; F28-F162 HydrophobicContact CE1-CG 3.97Å; F28-F162 HydrophobicContact CE2-CB 3.45Å; F28-F162 VanDerWaalsContact CE2-CB 3.45Å; F28-F162 AromaticContact CE2-CD2 3.89Å; F28-F162 HydrophobicContact CE2-CD2 3.89Å; F28-F162 AromaticContact CE2-CG 3.85Å; F28-F162 HydrophobicContact CE2-CG 3.85Å; F28-F162 HydrophobicContact CG-CB 4.34Å; F28-F162 HydrophobicContact CG-CD1 4.46Å; F28-F162 AromaticContact CG-CD2 3.34Å; F28-F162 HydrophobicContact CG-CD2 3.34Å; F28-F162 AromaticContact CG-CE2 3.66Å; F28-F162 HydrophobicContact CG-CE2 3.66Å; F28-F162 AromaticContact CG-CG 3.8Å; F28-F162 HydrophobicContact CG-CG 3.8Å; F28-F162 HydrophobicContact CG-CZ 4.34Å; F28-F162 HydrophobicContact CZ-CB 3.55Å; F28-F162 HydrophobicContact CZ-CD2 4.38Å; F28-F162 AromaticContact CZ-CG 3.96Å; F28-F162 HydrophobicContact CZ-CG 3.96Å
29A90.5Very high86.1Confident25 Ų2554.9 Ų54.921%0.20730%0.297CS..Hα-helixtrans-78.1-41.1-171.600000113.1L25 L26 K46L25-A29 VanDerWaalsContact O-CB 3.25Å; L25-A29 WeakPolarHBondContact O-CB 3.17Å; L25-A29 PolarHBondContact O-N 3.09Å; L26-A29 PolarHBondContact O-N 2.91Å; A29-K46 HydrophobicContact CB-CB 4.03Å; A29-K46 HydrophobicContact CB-CD 4.17Å; A29-K46 HydrophobicContact CB-CG 4.06Å
30D88.6Confident84.7Confident74 Ų7456.7 Ų56.740%0.39631%0.308SS..Hα-helixtrans-121.6-0.7-166.9-55-23.6000112.7L26 T32 K46L26-D30 PolarHBondContact O-N 2.85Å; D30-T32 HydrophobicContact CB-CG2 4.34Å; D30-T32 WeakPolarHBondContact O-CG2 3.42Å; D30-T32 PolarHBondContact O-N 3.37Å; D30-K46 IonicContact OD1-NZ 2.94Å; D30-K46 PolarHBondContact OD1-NZ 3.4Å; D30-K46 IonicContact OD2-NZ 2.64Å; D30-K46 PolarHBondContact OD2-NZ 3.49Å
31D89.6Confident83.5Confident112 Ų11263.8 Ų63.860%0.59934%0.342SS*.SBendtrans49.939.3-171.2-163.821.9000113.8L26 R27L26-D31 PolarHBondContact O-N 3.44Å; R27-D31 WeakPolarHBondContact CD-OD1 3.38Å; R27-D31 IonicContact CZ-OD1 3.31Å; R27-D31 VanDerWaalsContact NH1-C 3.33Å; R27-D31 PolarHBondContact NH1-O 3.03Å; R27-D31 IonicContact NH1-OD1 3.52Å; R27-D31 PolarHBondContact NH1-OD1 3.09Å; R27-D31 VanDerWaalsContact O-CA 3.28Å; R27-D31 WeakPolarHBondContact O-CA 3.47Å; R27-D31 PolarHBondContact O-N 2.67Å
32T85.9Confident82.3Confident69 Ų6964.6 Ų64.642%0.42335%0.353SS..  trans-120.8151.3-179.955.40000111.5L26 R27 D30L26-T32 CarbonylContact C-O 3.4Å; R27-T32 WeakPolarHBondContact CA-O 3.35Å; R27-T32 PolarHBondContact N-O 3.2Å; D30-T32 HydrophobicContact CB-CG2 4.34Å; D30-T32 WeakPolarHBondContact O-CG2 3.42Å; D30-T32 PolarHBondContact O-N 3.37Å
33Y86.8Confident81.6Confident87 Ų8765 Ų6534%0.34135%0.354SS..  trans-138.9138.2171.4174.9-98.6000109.3C23 E35 A152 K153C23-Y33 HydrophobicContact CB-CD2 4.35Å; C23-Y33 HydrophobicContact CB-CE2 4.31Å; Y33-E35 HydrophobicContact CE1-CG 3.64Å; Y33-A152 HydrophobicContact CD2-CB 4.25Å; Y33-A152 WeakPolarHBondContact CD2-O 3.34Å; Y33-A152 HydrophobicContact CE2-CB 4.41Å; Y33-K153 HydrophobicContact CD1-CG 4.28Å; Y33-K153 HydrophobicContact CD2-CB 4.47Å; Y33-K153 HydrophobicContact CE1-CB 4.11Å; Y33-K153 HydrophobicContact CE1-CD 4.32Å; Y33-K153 HydrophobicContact CE1-CG 3.81Å; Y33-K153 HydrophobicContact CE2-CB 4.06Å
34T80.6Confident81.2Confident70 Ų7067 Ų6743%0.42936%0.362SS..  trans-126.8134.5173-170.90000109.6S36T34-S36 VanDerWaalsContact C-N 3.26Å; T34-S36 PolarHBondContact OG1-N 2.81Å; T34-S36 PolarHBondContact OG1-OG 3.21Å
35E74.6Confident80.8Confident145 Ų14570 Ų7068%0.67838%0.376SS*.SBendtrans-74.2-20.5174.4-71.1-170162.600112Y33 F37 K153Y33-E35 HydrophobicContact CE1-CG 3.64Å; E35-F37 PolarHBondContact O-N 3.31Å; E35-K153 IonicContact OE1-NZ 2.66Å
36S69.2Low80.7Confident70 Ų7072.7 Ų72.749%0.4939%0.387SS..  trans-67.5105.8177.948.90000110.7T34 I38T34-S36 VanDerWaalsContact C-N 3.26Å; T34-S36 PolarHBondContact OG1-N 2.81Å; T34-S36 PolarHBondContact OG1-OG 3.21Å; S36-I38 PolarHBondContact O-N 2.61Å
37F62.1Low80.7Confident129 Ų12974 Ų7457%0.56639%0.394SS*.  trans-72.494.1173.3-176.2-104.3000109.9E35 S39E35-F37 PolarHBondContact O-N 3.31Å; F37-S39 WeakPolarHBondContact CE1-OG 3.5Å
38I71.1Confident80.7Confident138 Ų13875.1 Ų75.171%0.70840%0.398SS*.PPolyproline II helixtrans-94.1119.3165.8-56.3178.3000106.8S36 T40S36-I38 PolarHBondContact O-N 2.61Å; I38-T40 PolarHBondContact O-N 3.06Å
39S71.6Confident80.7Confident53 Ų5378.6 Ų78.637%0.37142%0.42SS..PPolyproline II helixtrans-62.5127.6176.1-66.90000110.2F37 I41F37-S39 WeakPolarHBondContact CE1-OG 3.5Å; S39-I41 PolarHBondContact O-N 3.34Å
40T65Low80.9Confident38 Ų3878 Ų7823%0.23341%0.412CS..PPolyproline II helixtrans-61.7121.4175.3-44.70000109.7S22 I38 A65S22-T40 PolarHBondContact OG-OG1 3.11Å; I38-T40 PolarHBondContact O-N 3.06Å; T40-A65 VanDerWaalsContact O-CB 3.32Å; T40-A65 WeakPolarHBondContact O-CB 3.2Å
41I67.8Low81.1Confident159 Ų15981.6 Ų81.682%0.81543%0.427SS*.  trans-91.3109.2173.2-58.8175.9000107.3S39S39-I41 PolarHBondContact O-N 3.34Å
42G68.9Low81.3Confident27 Ų2777.2 Ų77.228%0.27840%0.404SS..SBendtrans80-122.5179.200000113.1A65G42-A65 WeakPolarHBondContact O-CB 3.22Å; G42-A65 PolarHBondContact O-N 3.07Å
43V78Confident81.4Confident38 Ų3880 Ų8023%0.2342%0.416CS..EExtended strand (participates in β ladder)trans-135.9132-175.7179.70000108.8W62 D63 Y77V43-W62 HydrophobicContact CG1-CB 4.47Å; V43-W62 HydrophobicContact CG1-CE3 3.73Å; V43-W62 HydrophobicContact CG1-CZ3 4.46Å; V43-D63 CarbonylContact C-O 3.47Å; V43-D63 VanDerWaalsContact CA-O 3.26Å; V43-D63 WeakPolarHBondContact CA-O 3.3Å; V43-D63 VanDerWaalsContact CG1-O 3.24Å; V43-D63 WeakPolarHBondContact CG1-O 3.17Å; V43-Y77 HydrophobicContact CB-CE1 4.04Å; V43-Y77 HydrophobicContact CB-CE2 4.45Å; V43-Y77 HydrophobicContact CG1-CD1 4.03Å; V43-Y77 HydrophobicContact CG1-CE1 3.71Å; V43-Y77 HydrophobicContact CG2-CD1 4.49Å; V43-Y77 HydrophobicContact CG2-CD2 4.14Å; V43-Y77 HydrophobicContact CG2-CE1 4.03Å; V43-Y77 HydrophobicContact CG2-CE2 3.62Å
44D83.6Confident81.5Confident74 Ų7479.6 Ų79.640%0.39644%0.438SS..EExtended strand (participates in β ladder)trans-105.5157.6173.1-16616.4000110.4W62 D63D44-W62 WeakPolarHBondContact O-CA 3.23Å; D44-D63 HydrophobicContact CB-CB 4.41Å; D44-D63 PolarHBondContact N-O 2.98Å; D44-D63 PolarHBondContact O-N 3.37Å
45F86.6Confident82Confident68 Ų6881.6 Ų81.630%0.29844%0.437SS..EExtended strand (participates in β ladder)trans-142125.3-172.3175-103.1000111.7I47 Q60 I61 W62F45-I47 HydrophobicContact CD1-CG1 4.42Å; F45-I47 HydrophobicContact CE1-CD1 3.63Å; F45-I47 HydrophobicContact CE1-CG1 3.42Å; F45-I47 VanDerWaalsContact CE1-CG1 3.42Å; F45-I47 HydrophobicContact CE2-CG1 4.45Å; F45-I47 HydrophobicContact CZ-CD1 3.76Å; F45-I47 HydrophobicContact CZ-CG1 3.45Å; F45-I47 VanDerWaalsContact CZ-CG1 3.45Å; F45-Q60 HydrophobicContact CE2-CB 3.7Å; F45-Q60 HydrophobicContact CE2-CG 4.01Å; F45-Q60 HydrophobicContact CZ-CB 3.98Å; F45-Q60 HydrophobicContact CZ-CG 3.74Å; F45-I61 WeakPolarHBondContact CA-O 3.39Å; F45-W62 HydrophobicContact CB-CE3 4.28Å; F45-W62 HydrophobicContact CB-CZ3 4.41Å; F45-W62 AromaticContact CD2-CD2 3.63Å; F45-W62 HydrophobicContact CD2-CD2 3.63Å; F45-W62 AromaticContact CD2-CE2 3.51Å; F45-W62 HydrophobicContact CD2-CE3 4.02Å; F45-W62 HydrophobicContact CD2-CG 4.02Å; F45-W62 HydrophobicContact CD2-CH2 4.27Å; F45-W62 AromaticContact CD2-CZ2 3.87Å; F45-W62 HydrophobicContact CD2-CZ2 3.87Å; F45-W62 HydrophobicContact CD2-CZ3 4.31Å; F45-W62 AromaticContact CD2-NE1 3.73Å; F45-W62 HydrophobicContact CE2-CD2 4.24Å; F45-W62 AromaticContact CE2-CE2 3.65Å; F45-W62 AromaticContact CE2-CZ2 3.91Å; F45-W62 HydrophobicContact CE2-CZ2 3.91Å; F45-W62 AromaticContact CE2-NE1 3.56Å
46K91.8Very high83Confident56 Ų5676.5 Ų76.524%0.24342%0.416CS..EExtended strand (participates in β ladder)trans-125.9149.5174.5-70.1-77.6-168.9153.90111.1L25 A29 D30 I61L25-K46 HydrophobicContact CD1-CB 3.92Å; L25-K46 HydrophobicContact CD1-CG 4.27Å; L25-K46 HydrophobicContact CD2-CB 4.17Å; L25-K46 HydrophobicContact CD2-CG 3.9Å; L25-K46 HydrophobicContact CG-CB 4.22Å; L25-K46 HydrophobicContact CG-CG 4.02Å; A29-K46 HydrophobicContact CB-CB 4.03Å; A29-K46 HydrophobicContact CB-CD 4.17Å; A29-K46 HydrophobicContact CB-CG 4.06Å; D30-K46 IonicContact OD1-NZ 2.94Å; D30-K46 PolarHBondContact OD1-NZ 3.4Å; D30-K46 IonicContact OD2-NZ 2.64Å; D30-K46 PolarHBondContact OD2-NZ 3.49Å; K46-I61 PolarHBondContact N-O 3.13Å; K46-I61 PolarHBondContact O-N 2.82Å
47I93.5Very high84.2Confident76 Ų7673.2 Ų73.239%0.3939%0.393SS..EExtended strand (participates in β ladder)trans-116130.1172.8-61.5-176000108.3F45 K58 L59 Q60F45-I47 HydrophobicContact CD1-CG1 4.42Å; F45-I47 HydrophobicContact CE1-CD1 3.63Å; F45-I47 HydrophobicContact CE1-CG1 3.42Å; F45-I47 VanDerWaalsContact CE1-CG1 3.42Å; F45-I47 HydrophobicContact CE2-CG1 4.45Å; F45-I47 HydrophobicContact CZ-CD1 3.76Å; F45-I47 HydrophobicContact CZ-CG1 3.45Å; F45-I47 VanDerWaalsContact CZ-CG1 3.45Å; I47-K58 HydrophobicContact CG2-CD 4.22Å; I47-K58 HydrophobicContact CG2-CG 3.79Å; I47-L59 VanDerWaalsContact CA-O 3.27Å; I47-L59 WeakPolarHBondContact CA-O 3.49Å; I47-Q60 HydrophobicContact CD1-CG 4.43Å; I47-Q60 HydrophobicContact CG1-CG 4.26Å
48R93.9Very high85.8Confident67 Ų6769.5 Ų69.525%0.25338%0.377SS..EExtended strand (participates in β ladder)trans-134132.8169.1-175.3165.2172.1-144.5-13.8109.6F28 I50 L59 E159F28-R48 HydrophobicContact CE1-CB 3.95Å; F28-R48 HydrophobicContact CE1-CG 4.13Å; F28-R48 HydrophobicContact CZ-CG 4.44Å; F28-R48 VanDerWaalsContact O-CD 3.3Å; F28-R48 WeakPolarHBondContact O-CD 3.49Å; F28-R48 PolarHBondContact O-NH1 2.97Å; R48-I50 HydrophobicContact CG-CG2 4.36Å; R48-L59 PolarHBondContact N-O 3.13Å; R48-L59 WeakPolarHBondContact O-CA 3.3Å; R48-L59 WeakPolarHBondContact O-CB 3.42Å; R48-L59 PolarHBondContact O-N 3.11Å; R48-E159 IonicContact CZ-OE1 3.67Å; R48-E159 IonicContact CZ-OE2 3.53Å; R48-E159 IonicContact NH1-OE1 3.21Å; R48-E159 IonicContact NH1-OE2 3.85Å; R48-E159 PolarHBondContact NH1-OE2 3.19Å; R48-E159 IonicContact NH2-OE1 3.42Å; R48-E159 PolarHBondContact NH2-OE1 3.13Å; R48-E159 IonicContact NH2-OE2 2.8Å; R48-E159 PolarHBondContact NH2-OE2 2.93Å
49T94.5Very high87Confident76 Ų7663 Ų6347%0.46634%0.343SS..EExtended strand (participates in β ladder)trans-94.4131.9173-57.50000108.6T56 I57T49-T56 HydrophobicContact CG2-CG2 3.35Å; T49-I57 CarbonylContact C-O 3.31Å; T49-I57 WeakPolarHBondContact CA-O 3.36Å
50I94.6Very high88.1Confident11 Ų1162.9 Ų62.96%0.05634%0.337CS..EExtended strand (participates in β ladder)trans-124.3159.5177.861.6166.6000109.7F28 R48 I57 L59 M163 A166F28-I50 HydrophobicContact CZ-CG2 4.08Å; R48-I50 HydrophobicContact CG-CG2 4.36Å; I50-I57 HydrophobicContact CD1-CB 4.48Å; I50-I57 HydrophobicContact CG1-CB 3.95Å; I50-I57 PolarHBondContact N-O 3.01Å; I50-I57 PolarHBondContact O-N 3.25Å; I50-L59 HydrophobicContact CD1-CD1 3.76Å; I50-L59 HydrophobicContact CD1-CD2 4.45Å; I50-L59 HydrophobicContact CD1-CG 4.16Å; I50-L59 HydrophobicContact CG1-CD1 4.17Å; I50-L59 HydrophobicContact CG1-CG 4.23Å; I50-L59 HydrophobicContact CG2-CD1 4.33Å; I50-M163 HydrophobicContact CB-SD 4.16Å; I50-M163 HydrophobicContact CD1-CE 4.47Å; I50-M163 HydrophobicContact CD1-SD 3.45Å; I50-M163 WeakPolarHBondContact CD1-SD 3.48Å; I50-M163 HydrophobicContact CG1-SD 4.36Å; I50-M163 HydrophobicContact CG2-SD 4.29Å; I50-A166 HydrophobicContact CD1-CB 3.78Å
51E93.8Very high89.6Confident150 Ų15061 Ų6170%0.70133%0.326SS*.EExtended strand (participates in β ladder)trans-106.3130.3168.6-67.3-170.1171.600109.9R55E51-R55 WeakPolarHBondContact CA-O 3.47Å
52L92.6Very high90.8Very high21 Ų2156.5 Ų56.511%0.1130%0.298CS..EExtended strand (participates in β ladder)trans-142.2117.4-179.7-170.375.8000110.6G54 R55 I57 M163 A166 A167 K170L52-G54 VanDerWaalsContact C-N 3.34Å; L52-G54 PolarHBondContact O-N 3.28Å; L52-R55 PolarHBondContact N-O 3.11Å; L52-R55 WeakPolarHBondContact O-CB 3.18Å; L52-R55 PolarHBondContact O-N 2.82Å; L52-R55 VanDerWaalsContact O-N 3.11Å; L52-I57 HydrophobicContact CB-CD1 3.74Å; L52-I57 HydrophobicContact CB-CG1 4.47Å; L52-I57 HydrophobicContact CD2-CD1 3.86Å; L52-I57 HydrophobicContact CG-CD1 4.43Å; L52-M163 HydrophobicContact CD1-CE 3.65Å; L52-A166 HydrophobicContact CD2-CB 4.3Å; L52-A167 HydrophobicContact CD2-CB 3.94Å; L52-K170 HydrophobicContact CD2-CD 4.05Å; L52-K170 PolarHBondContact O-NZ 3.46Å
53D89.6Confident91.8Very high128 Ų12855.3 Ų55.368%0.68429%0.286SS*.THydrogen-bonded Turntrans44.852.3-171.8-28.2-61.3000113.3R55 K170D53-R55 PolarHBondContact O-N 3.01Å; D53-K170 VanDerWaalsContact CB-NZ 3.29Å; D53-K170 IonicContact OD2-NZ 2.66Å; D53-K170 PolarHBondContact OD2-NZ 3.33Å
54G88.6Confident92Very high77 Ų7753.5 Ų53.579%0.79428%0.275SS*.THydrogen-bonded Turntrans68.416.1178.400000114.8L52L52-G54 VanDerWaalsContact C-N 3.34Å; L52-G54 PolarHBondContact O-N 3.28Å
55R91.6Very high91.5Very high112 Ų11250.3 Ų50.342%0.42326%0.259SS..EExtended strand (participates in β ladder)trans-116.2136.4174.9-61.5-69.3-175.8173.5-0.2110.4D6 Y7 E51 L52 D53D6-R55 HydrophobicContact CB-CB 4.21Å; D6-R55 VanDerWaalsContact CG-CD 3.45Å; D6-R55 WeakPolarHBondContact OD1-CD 3.4Å; D6-R55 IonicContact OD1-CZ 3.53Å; D6-R55 IonicContact OD1-NH1 3.81Å; D6-R55 PolarHBondContact OD1-NH1 3.24Å; D6-R55 VanDerWaalsContact OD2-CA 3.3Å; D6-R55 WeakPolarHBondContact OD2-CA 3.49Å; Y7-R55 HydrophobicContact CD2-CB 4.25Å; Y7-R55 HydrophobicContact CE2-CB 4.12Å; Y7-R55 HydrophobicContact CE2-CG 4.07Å; E51-R55 WeakPolarHBondContact CA-O 3.47Å; L52-R55 PolarHBondContact N-O 3.11Å; L52-R55 WeakPolarHBondContact O-CB 3.18Å; L52-R55 PolarHBondContact O-N 2.82Å; L52-R55 VanDerWaalsContact O-N 3.11Å; D53-R55 PolarHBondContact O-N 3.01Å
56T93.8Very high90.4Very high39 Ų3947.4 Ų47.424%0.23925%0.248CC..EExtended strand (participates in β ladder)trans-85.8115.8175.4-55.30000109.1D6 Y7 T49D6-T56 PolarHBondContact N-O 2.84Å; D6-T56 PolarHBondContact OD2-N 2.68Å; Y7-T56 PolarHBondContact N-O 3.31Å; T49-T56 HydrophobicContact CG2-CG2 3.35Å
57I95.3Very high88.9Confident0 Ų047.2 Ų47.20%025%0.248CC..EExtended strand (participates in β ladder)trans-114.1122.3-177.3-52.5-176.6000109.1Y7 F9 T49 I50 L52 L59 K170Y7-I57 HydrophobicContact CD2-CG1 4.15Å; F9-I57 HydrophobicContact CD2-CG2 3.56Å; F9-I57 HydrophobicContact CE2-CD1 3.89Å; F9-I57 HydrophobicContact CE2-CG2 3.64Å; F9-I57 HydrophobicContact CG-CG2 4.08Å; F9-I57 HydrophobicContact CZ-CD1 4.3Å; F9-I57 HydrophobicContact CZ-CG2 4.19Å; T49-I57 CarbonylContact C-O 3.31Å; T49-I57 WeakPolarHBondContact CA-O 3.36Å; I50-I57 HydrophobicContact CD1-CB 4.48Å; I50-I57 HydrophobicContact CG1-CB 3.95Å; I50-I57 PolarHBondContact N-O 3.01Å; I50-I57 PolarHBondContact O-N 3.25Å; L52-I57 HydrophobicContact CB-CD1 3.74Å; L52-I57 HydrophobicContact CB-CG1 4.47Å; L52-I57 HydrophobicContact CD2-CD1 3.86Å; L52-I57 HydrophobicContact CG-CD1 4.43Å; I57-L59 HydrophobicContact CG2-CD2 3.8Å; I57-K170 HydrophobicContact CD1-CD 4.21Å
58K95.7Very high87.2Confident52 Ų5249.6 Ų49.623%0.22626%0.257CS..EExtended strand (participates in β ladder)trans-90.2114.8172.7-168.4167.4-170.8167.20109.4Y5 Y7 L8 F9 I47Y5-K58 HydrophobicContact CD1-CB 4.22Å; Y5-K58 HydrophobicContact CD1-CD 3.78Å; Y5-K58 HydrophobicContact CD2-CB 4.31Å; Y5-K58 HydrophobicContact CE1-CD 3.86Å; Y5-K58 HydrophobicContact CG-CB 3.97Å; Y5-K58 HydrophobicContact CG-CD 4.38Å; Y7-K58 PolarHBondContact O-N 3.39Å; L8-K58 WeakPolarHBondContact CA-O 3.44Å; L8-K58 HydrophobicContact CD1-CB 3.83Å; L8-K58 HydrophobicContact CD1-CD 4.08Å; L8-K58 HydrophobicContact CD1-CG 3.84Å; F9-K58 PolarHBondContact N-O 3.39Å; I47-K58 HydrophobicContact CG2-CD 4.22Å; I47-K58 HydrophobicContact CG2-CG 3.79Å
59L96.4Very high85.4Confident0 Ų055 Ų550%028%0.278CS..EExtended strand (participates in β ladder)trans-93.1130.1175.4-57.5-178.4000109.9F9 L11 F28 I47 R48 I50 I57 I61 A166F9-L59 HydrophobicContact CB-CD2 3.91Å; F9-L59 HydrophobicContact CD2-CD2 3.98Å; F9-L59 HydrophobicContact CG-CD2 4.38Å; L11-L59 HydrophobicContact CD1-CD1 4.28Å; L11-L59 HydrophobicContact CD1-CD2 4.24Å; F28-L59 HydrophobicContact CE1-CD1 4.1Å; F28-L59 HydrophobicContact CZ-CD1 3.98Å; I47-L59 VanDerWaalsContact CA-O 3.27Å; I47-L59 WeakPolarHBondContact CA-O 3.49Å; R48-L59 PolarHBondContact N-O 3.13Å; R48-L59 WeakPolarHBondContact O-CA 3.3Å; R48-L59 WeakPolarHBondContact O-CB 3.42Å; R48-L59 PolarHBondContact O-N 3.11Å; I50-L59 HydrophobicContact CD1-CD1 3.76Å; I50-L59 HydrophobicContact CD1-CD2 4.45Å; I50-L59 HydrophobicContact CD1-CG 4.16Å; I50-L59 HydrophobicContact CG1-CD1 4.17Å; I50-L59 HydrophobicContact CG1-CG 4.23Å; I50-L59 HydrophobicContact CG2-CD1 4.33Å; I57-L59 HydrophobicContact CG2-CD2 3.8Å; L59-I61 HydrophobicContact CB-CD1 4.29Å; L59-I61 HydrophobicContact CB-CG1 4.11Å; L59-A166 HydrophobicContact CD2-CB 4.2Å
60Q95.4Very high83.7Confident51 Ų5154.6 Ų54.624%0.23827%0.269CS..EExtended strand (participates in β ladder)trans-111.3101.3173.7-80.8-167.3-23.400107.9L8 F9 K10 L11 F45 I47L8-Q60 HydrophobicContact CD1-CG 3.73Å; F9-Q60 PolarHBondContact O-N 2.74Å; K10-Q60 CarbonylContact C-O 3.55Å; K10-Q60 WeakPolarHBondContact CA-O 3.46Å; L11-Q60 PolarHBondContact N-O 2.96Å; F45-Q60 HydrophobicContact CE2-CB 3.7Å; F45-Q60 HydrophobicContact CE2-CG 4.01Å; F45-Q60 HydrophobicContact CZ-CB 3.98Å; F45-Q60 HydrophobicContact CZ-CG 3.74Å; I47-Q60 HydrophobicContact CD1-CG 4.43Å; I47-Q60 HydrophobicContact CG1-CG 4.26Å
61I94.9Very high81.9Confident0 Ų057 Ų570%028%0.278CS..EExtended strand (participates in β ladder)trans-108.3121.4-169-49.4168.3000109L11 L13 L25 F28 F45 K46 L59 F162L11-I61 HydrophobicContact CB-CG1 4.28Å; L11-I61 HydrophobicContact CB-CG2 4.39Å; L11-I61 HydrophobicContact CD1-CG1 4.27Å; L13-I61 HydrophobicContact CD1-CG2 4.3Å; L13-I61 HydrophobicContact CD2-CG2 4.49Å; L13-I61 HydrophobicContact CG-CG2 4.09Å; L25-I61 HydrophobicContact CD1-CB 3.72Å; L25-I61 HydrophobicContact CD1-CD1 4.01Å; L25-I61 HydrophobicContact CD1-CG1 4.48Å; L25-I61 HydrophobicContact CD1-CG2 3.54Å; F28-I61 HydrophobicContact CD1-CD1 3.58Å; F28-I61 HydrophobicContact CE1-CD1 3.53Å; F45-I61 WeakPolarHBondContact CA-O 3.39Å; K46-I61 PolarHBondContact N-O 3.13Å; K46-I61 PolarHBondContact O-N 2.82Å; L59-I61 HydrophobicContact CB-CD1 4.29Å; L59-I61 HydrophobicContact CB-CG1 4.11Å; I61-F162 HydrophobicContact CD1-CD1 3.89Å; I61-F162 HydrophobicContact CD1-CE1 3.85Å; I61-F162 HydrophobicContact CG2-CE1 4.03Å
62W92.9Very high80Confident63 Ų6355.6 Ų55.624%0.23928%0.28CS..EExtended strand (participates in β ladder)trans-102.4118.1179.4-62.880.1000109L11 L12 L13 V43 D44 F45 Y77L11-W62 PolarHBondContact O-N 3.12Å; L12-W62 HydrophobicContact CD1-CB 3.57Å; L13-W62 PolarHBondContact N-O 3.34Å; V43-W62 HydrophobicContact CG1-CB 4.47Å; V43-W62 HydrophobicContact CG1-CE3 3.73Å; V43-W62 HydrophobicContact CG1-CZ3 4.46Å; D44-W62 WeakPolarHBondContact O-CA 3.23Å; F45-W62 HydrophobicContact CB-CE3 4.28Å; F45-W62 HydrophobicContact CB-CZ3 4.41Å; F45-W62 AromaticContact CD2-CD2 3.63Å; F45-W62 HydrophobicContact CD2-CD2 3.63Å; F45-W62 AromaticContact CD2-CE2 3.51Å; F45-W62 HydrophobicContact CD2-CE3 4.02Å; F45-W62 HydrophobicContact CD2-CG 4.02Å; F45-W62 HydrophobicContact CD2-CH2 4.27Å; F45-W62 AromaticContact CD2-CZ2 3.87Å; F45-W62 HydrophobicContact CD2-CZ2 3.87Å; F45-W62 HydrophobicContact CD2-CZ3 4.31Å; F45-W62 AromaticContact CD2-NE1 3.73Å; F45-W62 HydrophobicContact CE2-CD2 4.24Å; F45-W62 AromaticContact CE2-CE2 3.65Å; F45-W62 AromaticContact CE2-CZ2 3.91Å; F45-W62 HydrophobicContact CE2-CZ2 3.91Å; F45-W62 AromaticContact CE2-NE1 3.56Å; W62-Y77 HydrophobicContact CD2-CD1 4.13Å; W62-Y77 AromaticContact CE3-CD1 3.57Å; W62-Y77 HydrophobicContact CE3-CD1 3.57Å; W62-Y77 AromaticContact CE3-CE1 3.58Å; W62-Y77 HydrophobicContact CE3-CE1 3.58Å; W62-Y77 HydrophobicContact CH2-CE1 4.45Å; W62-Y77 AromaticContact CZ3-CD1 3.9Å; W62-Y77 HydrophobicContact CZ3-CD1 3.9Å; W62-Y77 AromaticContact CZ3-CE1 3.53Å; W62-Y77 HydrophobicContact CZ3-CE1 3.53Å
63D90.3Very high78.4Confident2 Ų259.2 Ų59.21%0.01130%0.298CS..EExtended strand (participates in β ladder)trans-96.7128.6172.7176.844.8000110.2K21 S22 L25 V43 D44K21-D63 WeakPolarHBondContact CB-OD1 3.45Å; S22-D63 WeakPolarHBondContact CA-OD2 3.43Å; S22-D63 WeakPolarHBondContact CB-OD2 3.46Å; S22-D63 PolarHBondContact N-OD1 3.43Å; S22-D63 PolarHBondContact OG-OD2 3.28Å; L25-D63 HydrophobicContact CD2-CB 3.51Å; V43-D63 CarbonylContact C-O 3.47Å; V43-D63 VanDerWaalsContact CA-O 3.26Å; V43-D63 WeakPolarHBondContact CA-O 3.3Å; V43-D63 VanDerWaalsContact CG1-O 3.24Å; V43-D63 WeakPolarHBondContact CG1-O 3.17Å; D44-D63 HydrophobicContact CB-CB 4.41Å; D44-D63 PolarHBondContact N-O 2.98Å; D44-D63 PolarHBondContact O-N 3.37Å
64T83.3Confident77.2Confident1 Ų153.5 Ų53.51%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-107.2142.9-174.263.40000111.5L12 L13 K21 G66 T74L12-T64 HydrophobicContact CD1-CG2 3.48Å; L12-T64 VanDerWaalsContact CD1-CG2 3.48Å; L12-T64 HydrophobicContact CG-CG2 4.23Å; L13-T64 WeakPolarHBondContact O-CG2 3.48Å; L13-T64 PolarHBondContact O-OG1 3.37Å; K21-T64 WeakPolarHBondContact CE-O 3.28Å; T64-G66 PolarHBondContact O-N 3.09Å; T64-T74 HydrophobicContact CG2-CG2 3.46Å; T64-T74 VanDerWaalsContact CG2-CG2 3.46Å
65A73.1Confident76.4Confident7 Ų751.8 Ų51.86%0.05824%0.244CC..  trans-60.1125166.600000109.9T40 G42 Q67 F70T40-A65 VanDerWaalsContact O-CB 3.32Å; T40-A65 WeakPolarHBondContact O-CB 3.2Å; G42-A65 WeakPolarHBondContact O-CB 3.22Å; G42-A65 PolarHBondContact O-N 3.07Å; A65-Q67 VanDerWaalsContact C-N 3.26Å; A65-Q67 PolarHBondContact O-N 3.01Å; A65-F70 HydrophobicContact CB-CD2 4.04Å
66G62.1Low75.8Confident6 Ų650 Ų506%0.06225%0.248CC..  trans-82.46-179.500000114.8G15 S17 T64G15-G66 WeakPolarHBondContact O-CA 3.44Å; S17-G66 PolarHBondContact N-O 2.83Å; T64-G66 PolarHBondContact O-N 3.09Å
67Q61.9Low75.3Confident52 Ų5250.8 Ų50.824%0.24325%0.247CC..  trans-76.1133.4177.9-81.6-162.8-3.800111A65 R69 F70A65-Q67 VanDerWaalsContact C-N 3.26Å; A65-Q67 PolarHBondContact O-N 3.01Å; Q67-R69 PolarHBondContact O-N 3.23Å; Q67-R69 VanDerWaalsContact O-N 3.09Å; Q67-F70 HydrophobicContact CB-CD2 3.92Å; Q67-F70 HydrophobicContact CB-CE2 4.39Å; Q67-F70 PolarHBondContact O-N 3.3Å
68E56.6Low75Confident126 Ų12650.8 Ų50.859%0.58925%0.247SC*.G310 helixtrans-55.2-31.2177.661.7-76.4157.400113.2F70 R71E68-F70 PolarHBondContact O-N 2.93Å; E68-F70 VanDerWaalsContact O-N 3.13Å; E68-R71 WeakPolarHBondContact O-CB 3.28Å; E68-R71 PolarHBondContact O-N 3.47Å
69R57.1Low74.5Confident181 Ų18157.9 Ų57.968%0.68327%0.273SS*.G310 helixtrans-61-20.8177-63.4-171.7-64.5-178.4-0.3114Q67Q67-R69 PolarHBondContact O-N 3.23Å; Q67-R69 VanDerWaalsContact O-N 3.09Å
70F57.9Low74.1Confident67 Ų6759.8 Ų59.829%0.29429%0.292SS..G310 helixtrans-105.8-1.6-179.8-60.7-58.9000114.2A65 Q67 E68 T72 I73 T74A65-F70 HydrophobicContact CB-CD2 4.04Å; Q67-F70 HydrophobicContact CB-CD2 3.92Å; Q67-F70 HydrophobicContact CB-CE2 4.39Å; Q67-F70 PolarHBondContact O-N 3.3Å; E68-F70 PolarHBondContact O-N 2.93Å; E68-F70 VanDerWaalsContact O-N 3.13Å; F70-T72 PolarHBondContact O-N 3.39Å; F70-I73 HydrophobicContact CD1-CD1 3.77Å; F70-I73 HydrophobicContact CE1-CD1 4.48Å; F70-I73 WeakPolarHBondContact O-CB 3.45Å; F70-I73 PolarHBondContact O-N 3.35Å; F70-T74 PolarHBondContact O-N 3.2Å; F70-T74 PolarHBondContact O-OG1 2.87Å
71R57.6Low74Confident61 Ų6157.6 Ų57.623%0.2328%0.283CS..Hα-helixtrans-52.4-33179.9-75.8178.2-178.5-168.51.1113.2D16 E68 T74 Q101 W102D16-R71 IonicContact OD1-NH2 2.85Å; E68-R71 WeakPolarHBondContact O-CB 3.28Å; E68-R71 PolarHBondContact O-N 3.47Å; R71-T74 PolarHBondContact O-N 2.93Å; R71-Q101 VanDerWaalsContact NH1-OE1 3.15Å; R71-W102 HydrophobicContact CG-CH2 4.18Å
72T53.6Low74Confident122 Ų12260.2 Ų60.275%0.74830%0.295SS*.Hα-helixtrans-65.6-38.2176.2-50.70000112.9F70 T74 S75F70-T72 PolarHBondContact O-N 3.39Å; T72-T74 VanDerWaalsContact C-N 3.27Å; T72-T74 PolarHBondContact O-N 3.14Å; T72-S75 PolarHBondContact O-OG 3.25Å
73I58Low74.2Confident97 Ų9757.2 Ų57.250%0.49728%0.284SS..Hα-helixtrans-69.2-31.1179.5-56.4-175.9000110.2F70 S75 S76 Y77F70-I73 HydrophobicContact CD1-CD1 3.77Å; F70-I73 HydrophobicContact CE1-CD1 4.48Å; F70-I73 WeakPolarHBondContact O-CB 3.45Å; F70-I73 PolarHBondContact O-N 3.35Å; I73-S75 PolarHBondContact O-N 3.44Å; I73-S76 PolarHBondContact O-OG 2.95Å; I73-Y77 HydrophobicContact CG2-CE2 4.47Å
74T64.7Low74.5Confident7 Ų757.1 Ų57.14%0.04328%0.283CS..Hα-helixtrans-72.6-23.8-172.8-26.90000114T64 F70 R71 T72 S76 Y77 Y78T64-T74 HydrophobicContact CG2-CG2 3.46Å; T64-T74 VanDerWaalsContact CG2-CG2 3.46Å; F70-T74 PolarHBondContact O-N 3.2Å; F70-T74 PolarHBondContact O-OG1 2.87Å; R71-T74 PolarHBondContact O-N 2.93Å; T72-T74 VanDerWaalsContact C-N 3.27Å; T72-T74 PolarHBondContact O-N 3.14Å; T74-S76 VanDerWaalsContact C-N 3.25Å; T74-S76 PolarHBondContact O-N 2.93Å; T74-S76 VanDerWaalsContact O-N 3.12Å; T74-Y77 WeakPolarHBondContact O-CB 3.24Å; T74-Y77 PolarHBondContact O-N 3.49Å; T74-Y78 HydrophobicContact CG2-CE2 4.23Å; T74-Y78 VanDerWaalsContact O-CD2 3.23Å; T74-Y78 WeakPolarHBondContact O-CD2 3.39Å
75S71.9Confident75.2Confident41 Ų4157.1 Ų57.129%0.28728%0.283SS..Hα-helixtrans-52.2-38.2-176.9600000114.2T72 I73 Y77 Y78T72-S75 PolarHBondContact O-OG 3.25Å; I73-S75 PolarHBondContact O-N 3.44Å; S75-Y77 VanDerWaalsContact C-N 3.28Å; S75-Y77 PolarHBondContact O-N 3.43Å; S75-Y78 PolarHBondContact O-N 3.38Å
76S78.8Confident76.3Confident74 Ų7456.9 Ų56.952%0.51728%0.281SS..Hα-helixtrans-64.7-26.8177.864.20000114.2I73 T74 R79I73-S76 PolarHBondContact O-OG 2.95Å; T74-S76 VanDerWaalsContact C-N 3.25Å; T74-S76 PolarHBondContact O-N 2.93Å; T74-S76 VanDerWaalsContact O-N 3.12Å; S76-R79 PolarHBondContact O-N 3.31Å
77Y84.4Confident78Confident56 Ų5656.7 Ų56.722%0.2228%0.278CS..Hα-helixtrans-78.8-25.2-176.2-65.1-88.5000112.9K10 V43 W62 I73 T74 S75 R79K10-Y77 WeakPolarHBondContact CE-O 3.4Å; K10-Y77 PolarHBondContact NZ-O 3.18Å; V43-Y77 HydrophobicContact CB-CE1 4.04Å; V43-Y77 HydrophobicContact CB-CE2 4.45Å; V43-Y77 HydrophobicContact CG1-CD1 4.03Å; V43-Y77 HydrophobicContact CG1-CE1 3.71Å; V43-Y77 HydrophobicContact CG2-CD1 4.49Å; V43-Y77 HydrophobicContact CG2-CD2 4.14Å; V43-Y77 HydrophobicContact CG2-CE1 4.03Å; V43-Y77 HydrophobicContact CG2-CE2 3.62Å; W62-Y77 HydrophobicContact CD2-CD1 4.13Å; W62-Y77 AromaticContact CE3-CD1 3.57Å; W62-Y77 HydrophobicContact CE3-CD1 3.57Å; W62-Y77 AromaticContact CE3-CE1 3.58Å; W62-Y77 HydrophobicContact CE3-CE1 3.58Å; W62-Y77 HydrophobicContact CH2-CE1 4.45Å; W62-Y77 AromaticContact CZ3-CD1 3.9Å; W62-Y77 HydrophobicContact CZ3-CD1 3.9Å; W62-Y77 AromaticContact CZ3-CE1 3.53Å; W62-Y77 HydrophobicContact CZ3-CE1 3.53Å; I73-Y77 HydrophobicContact CG2-CE2 4.47Å; T74-Y77 WeakPolarHBondContact O-CB 3.24Å; T74-Y77 PolarHBondContact O-N 3.49Å; S75-Y77 VanDerWaalsContact C-N 3.28Å; S75-Y77 PolarHBondContact O-N 3.43Å; Y77-R79 PolarHBondContact O-N 3.35Å
78Y87.9Confident79.7Confident0 Ų054.2 Ų54.20%027%0.267CS..Hα-helixtrans-63.1-30.4173.6-69.2-93.3000112.3L12 I14 T74 S75 G80 A81 I84 E105 I106 A110L12-Y78 HydrophobicContact CD2-CD1 3.93Å; L12-Y78 HydrophobicContact CD2-CD2 4.27Å; L12-Y78 HydrophobicContact CD2-CE1 4.03Å; L12-Y78 HydrophobicContact CD2-CE2 4.4Å; L12-Y78 HydrophobicContact CD2-CG 4.04Å; I14-Y78 HydrophobicContact CD1-CE1 4.17Å; I14-Y78 HydrophobicContact CG2-CE1 4.27Å; T74-Y78 HydrophobicContact CG2-CE2 4.23Å; T74-Y78 VanDerWaalsContact O-CD2 3.23Å; T74-Y78 WeakPolarHBondContact O-CD2 3.39Å; S75-Y78 PolarHBondContact O-N 3.38Å; Y78-G80 PolarHBondContact O-N 3.15Å; Y78-A81 WeakPolarHBondContact O-CB 3.41Å; Y78-A81 PolarHBondContact O-N 2.97Å; Y78-A81 VanDerWaalsContact O-N 3.14Å; Y78-I84 HydrophobicContact CD1-CD1 3.67Å; Y78-I84 HydrophobicContact CE1-CD1 4.14Å; Y78-E105 HydrophobicContact CE1-CG 4.47Å; Y78-E105 HydrophobicContact CE2-CG 4.18Å; Y78-E105 WeakPolarHBondContact CE2-OE1 3.29Å; Y78-E105 VanDerWaalsContact CZ-OE1 3.25Å; Y78-E105 WeakPolarHBondContact OH-CG 3.38Å; Y78-E105 PolarHBondContact OH-OE1 2.57Å; Y78-I106 HydrophobicContact CD1-CG1 4.44Å; Y78-I106 HydrophobicContact CE1-CG1 3.9Å; Y78-A110 HydrophobicContact CD1-CB 4.28Å
79R86Confident81.6Confident202 Ų20248.6 Ų48.676%0.76224%0.241SC*.THydrogen-bonded Turntrans-64.7126.4-179.9-169176.7176.1890.3110.5K10 S76 Y77 A81K10-R79 PolarHBondContact NZ-O 3.46Å; S76-R79 PolarHBondContact O-N 3.31Å; Y77-R79 PolarHBondContact O-N 3.35Å; R79-A81 PolarHBondContact O-N 3.3Å
80G87.8Confident83.6Confident40 Ų4040 Ų4041%0.41221%0.208SC..THydrogen-bonded Turntrans72.29.5-179.300000114.6Y78 H82Y78-G80 PolarHBondContact O-N 3.15Å; G80-H82 PolarHBondContact O-N 3.47Å; G80-H82 PolarHBondContact O-ND1 3.38Å
81A93.7Very high85.5Confident5 Ų538.4 Ų38.44%0.04121%0.205CC..  trans-65.2129.9168.400000109.4Y78 R79 I84 V114Y78-A81 WeakPolarHBondContact O-CB 3.41Å; Y78-A81 PolarHBondContact O-N 2.97Å; Y78-A81 VanDerWaalsContact O-N 3.14Å; R79-A81 PolarHBondContact O-N 3.3Å; A81-I84 HydrophobicContact CB-CD1 4.32Å; A81-I84 HydrophobicContact CB-CG1 4.03Å; A81-V114 HydrophobicContact CB-CG2 4.41Å; A81-V114 WeakPolarHBondContact O-CG2 3.45Å
82H95.6Very high87.4Confident54 Ų5438.4 Ų38.425%0.2521%0.209CC..SBendtrans-84.5-35.4176-62.679.8000110.6F9 K10 G80 N115 I169 R172F9-H82 HydrophobicContact CB-CB 4.49Å; K10-H82 PolarHBondContact N-ND1 2.76Å; K10-H82 PolarHBondContact O-N 2.66Å; G80-H82 PolarHBondContact O-N 3.47Å; G80-H82 PolarHBondContact O-ND1 3.38Å; H82-N115 PolarHBondContact O-N 2.85Å; H82-N115 VanDerWaalsContact O-N 3.1Å; H82-I169 HydrophobicContact CB-CD1 3.97Å; H82-I169 HydrophobicContact CB-CG1 4.4Å; H82-I169 HydrophobicContact CB-CG2 3.95Å; H82-R172 PolarHBondContact O-NH1 3.35Å
83G96.3Very high89.4Confident0 Ų036.2 Ų36.20%019%0.19CC..EExtended strand (participates in β ladder)trans-146.1153.5172.300000112.8K10 L11 L12 N115K10-G83 PolarHBondContact O-N 3.48Å; L11-G83 WeakPolarHBondContact CA-O 2.88Å; L12-G83 PolarHBondContact N-O 3.11Å; L12-G83 VanDerWaalsContact N-O 3.13Å; G83-N115 CarbonylContact C-O 3.54Å; G83-N115 WeakPolarHBondContact CA-O 3.19Å
84I96.4Very high91.2Very high0 Ų037.9 Ų37.90%020%0.196CC..EExtended strand (participates in β ladder)trans-129.7127.9-178.8-58.5175.6000108.4L12 I14 Y78 A81 I106 A110 V114 N115 K116 L117 M165L12-I84 HydrophobicContact CB-CG1 4.19Å; L12-I84 HydrophobicContact CB-CG2 4.49Å; L12-I84 WeakPolarHBondContact O-CA 3.22Å; I14-I84 HydrophobicContact CD1-CG2 3.79Å; I14-I84 HydrophobicContact CG1-CG2 3.82Å; I14-I84 HydrophobicContact CG2-CG2 4.22Å; Y78-I84 HydrophobicContact CD1-CD1 3.67Å; Y78-I84 HydrophobicContact CE1-CD1 4.14Å; A81-I84 HydrophobicContact CB-CD1 4.32Å; A81-I84 HydrophobicContact CB-CG1 4.03Å; I84-I106 HydrophobicContact CB-CD1 4.3Å; I84-I106 HydrophobicContact CD1-CB 4.48Å; I84-I106 HydrophobicContact CD1-CD1 4.48Å; I84-I106 HydrophobicContact CD1-CG1 3.9Å; I84-I106 HydrophobicContact CD1-CG2 3.96Å; I84-I106 HydrophobicContact CG2-CD1 3.8Å; I84-I106 HydrophobicContact CG2-CG1 4.1Å; I84-A110 HydrophobicContact CD1-CB 3.79Å; I84-V114 HydrophobicContact CD1-CG1 4.33Å; I84-V114 HydrophobicContact CD1-CG2 3.85Å; I84-V114 HydrophobicContact CG1-CG2 3.73Å; I84-N115 PolarHBondContact N-O 3.31Å; I84-K116 WeakPolarHBondContact O-CA 3.3Å; I84-L117 PolarHBondContact O-N 2.93Å; I84-M165 VanDerWaalsContact O-CE 3.23Å; I84-M165 WeakPolarHBondContact O-CE 3.37Å
85I97.4Very high92.7Very high2 Ų237.6 Ų37.61%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-103.9117.8176.9-54.1178.7000107.4L12 L13 I14 V87 L117 V119 F162 M165L12-I85 PolarHBondContact O-N 2.67Å; L13-I85 HydrophobicContact CD2-CB 3.7Å; L13-I85 HydrophobicContact CD2-CD1 3.86Å; L13-I85 HydrophobicContact CD2-CG1 4.16Å; L13-I85 HydrophobicContact CD2-CG2 4.23Å; I14-I85 PolarHBondContact N-O 3.48Å; I85-V87 HydrophobicContact CG2-CG2 4.09Å; I85-L117 WeakPolarHBondContact CA-O 3.24Å; I85-L117 HydrophobicContact CD1-CD2 4.26Å; I85-L117 HydrophobicContact CG1-CB 4.36Å; I85-L117 HydrophobicContact CG1-CD2 4.19Å; I85-L117 HydrophobicContact CG2-CD2 4.21Å; I85-L117 HydrophobicContact CG2-CG 4.44Å; I85-V119 HydrophobicContact CG2-CB 4.12Å; I85-V119 HydrophobicContact CG2-CG2 3.49Å; I85-V119 VanDerWaalsContact CG2-CG2 3.49Å; I85-F162 HydrophobicContact CD1-CD1 3.85Å; I85-F162 HydrophobicContact CD1-CE1 3.82Å; I85-M165 HydrophobicContact CD1-CB 4.38Å; I85-M165 HydrophobicContact CG1-CE 3.73Å; I85-M165 HydrophobicContact CG1-CG 4.4Å
86V96.7Very high94Very high1 Ų136.9 Ų36.91%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-94.8118.4177.2-1700000108I14 I99 W102 L103 I106 L117 L118 V119I14-V86 HydrophobicContact CD1-CG2 4.01Å; I14-V86 HydrophobicContact CG1-CB 4.33Å; I14-V86 HydrophobicContact CG1-CG1 4.32Å; I14-V86 HydrophobicContact CG1-CG2 3.96Å; V86-I99 HydrophobicContact CG1-CG2 4.21Å; V86-W102 HydrophobicContact CG1-CB 3.99Å; V86-W102 HydrophobicContact CG1-CG 4.49Å; V86-L103 HydrophobicContact CG2-CD2 4.4Å; V86-I106 HydrophobicContact CG2-CD1 3.65Å; V86-L117 PolarHBondContact N-O 2.88Å; V86-L118 HydrophobicContact CB-CD1 4.23Å; V86-L118 HydrophobicContact CG1-CD1 4.39Å; V86-V119 PolarHBondContact O-N 2.92Å
87V97.3Very high94.8Very high2 Ų237.8 Ų37.81%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-110.3131.5-175.2-170.30000109.9I14 G15 V19 K21 L24 I85 V119 N121I14-V87 PolarHBondContact O-N 3.31Å; G15-V87 WeakPolarHBondContact CA-O 3.14Å; V19-V87 HydrophobicContact CB-CG1 4.38Å; V19-V87 HydrophobicContact CG2-CB 4Å; V19-V87 HydrophobicContact CG2-CG1 3.85Å; K21-V87 HydrophobicContact CG-CB 4Å; K21-V87 HydrophobicContact CG-CG2 4.09Å; L24-V87 HydrophobicContact CD1-CG1 3.84Å; L24-V87 HydrophobicContact CD1-CG2 4.09Å; I85-V87 HydrophobicContact CG2-CG2 4.09Å; V87-V119 WeakPolarHBondContact CA-O 3.42Å; V87-V119 HydrophobicContact CG1-CG1 4.38Å; V87-V119 HydrophobicContact CG2-CB 4.37Å; V87-N121 HydrophobicContact CG1-CB 3.85Å
88Y97.9Very high95.3Very high0 Ų036.3 Ų36.30%018%0.18CC..EExtended strand (participates in β ladder)trans-125.4170166.375.7-83.7000109.9V90 Y96 I99 L118 V119 G120 N121 V131 A136 F147Y88-V90 HydrophobicContact CE2-CG1 4.05Å; Y88-Y96 HydrophobicContact CD1-CD2 4.34Å; Y88-Y96 AromaticContact CD2-CD2 3.94Å; Y88-Y96 HydrophobicContact CD2-CD2 3.94Å; Y88-Y96 HydrophobicContact CD2-CG 4.4Å; Y88-Y96 HydrophobicContact CE1-CD2 4.13Å; Y88-Y96 AromaticContact CE2-CD2 3.75Å; Y88-Y96 HydrophobicContact CE2-CD2 3.75Å; Y88-Y96 HydrophobicContact CE2-CG 4.44Å; Y88-Y96 HydrophobicContact CG-CD2 4.23Å; Y88-Y96 AromaticContact CZ-CD2 3.84Å; Y88-I99 HydrophobicContact CD1-CD1 3.59Å; Y88-I99 HydrophobicContact CD1-CG1 4.4Å; Y88-I99 HydrophobicContact CE1-CD1 4.15Å; Y88-I99 HydrophobicContact CG-CD1 3.86Å; Y88-L118 HydrophobicContact CD1-CD1 3.9Å; Y88-L118 HydrophobicContact CD1-CG 4.36Å; Y88-L118 HydrophobicContact CE1-CD1 4.14Å; Y88-L118 HydrophobicContact CE1-CD2 4.3Å; Y88-L118 HydrophobicContact CE1-CG 4.09Å; Y88-V119 VanDerWaalsContact CD1-O 3.22Å; Y88-V119 WeakPolarHBondContact CD1-O 3.44Å; Y88-V119 PolarHBondContact N-O 3.18Å; Y88-G120 VanDerWaalsContact CZ-CA 3.45Å; Y88-N121 PolarHBondContact O-N 3.21Å; Y88-V131 HydrophobicContact CE2-CB 4.01Å; Y88-V131 HydrophobicContact CE2-CG1 3.77Å; Y88-V131 HydrophobicContact CE2-CG2 4.13Å; Y88-A136 WeakPolarHBondContact OH-CB 3.25Å; Y88-F147 AromaticContact CE1-CE2 3.9Å; Y88-F147 HydrophobicContact CE1-CE2 3.9Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.44Å; Y88-F147 WeakPolarHBondContact OH-CZ 3.28Å
89D97.8Very high95.6Very high8 Ų836.4 Ų36.44%0.04318%0.181CC..EExtended strand (participates in β ladder)trans-103.9124.9176.5177.1-10.1000109.6V19 T91 D92 S95 K122V19-D89 HydrophobicContact CB-CB 4.25Å; V19-D89 HydrophobicContact CG1-CB 4.22Å; D89-T91 VanDerWaalsContact CG-OG1 3.24Å; D89-T91 PolarHBondContact O-N 2.9Å; D89-T91 VanDerWaalsContact O-N 3.11Å; D89-T91 WeakPolarHBondContact OD1-CA 3.45Å; D89-T91 WeakPolarHBondContact OD1-CB 3.22Å; D89-T91 PolarHBondContact OD1-N 3.2Å; D89-T91 PolarHBondContact OD1-OG1 3.45Å; D89-T91 PolarHBondContact OD2-OG1 3.35Å; D89-D92 HydrophobicContact CB-CB 4.01Å; D89-D92 PolarHBondContact O-N 3.08Å; D89-D92 VanDerWaalsContact O-O 3.13Å; D89-S95 PolarHBondContact N-OG 2.84Å; D89-S95 PolarHBondContact O-OG 3.49Å; D89-K122 VanDerWaalsContact OD2-CD 3.25Å; D89-K122 WeakPolarHBondContact OD2-CD 3.24Å; D89-K122 WeakPolarHBondContact OD2-CE 3.46Å; D89-K122 IonicContact OD2-NZ 2.66Å; D89-K122 PolarHBondContact OD2-NZ 3.19Å
90V98.1Very high95.9Very high0 Ų033 Ų330%017%0.172CC..THydrogen-bonded Turntrans-65.5-15.1-178.5-56.40000113.5Y88 N121 K122 K129 V130 V131 E149Y88-V90 HydrophobicContact CE2-CG1 4.05Å; V90-N121 WeakPolarHBondContact CG2-O 3.25Å; V90-N121 PolarHBondContact N-O 3.12Å; V90-K122 WeakPolarHBondContact CG2-O 3.46Å; V90-K129 HydrophobicContact CB-CG 4.21Å; V90-K129 HydrophobicContact CG2-CG 4.22Å; V90-V130 PolarHBondContact O-N 3.1Å; V90-V131 PolarHBondContact O-N 2.97Å; V90-V131 VanDerWaalsContact O-N 3.09Å; V90-E149 HydrophobicContact CG1-CG 4.28Å
91T97.6Very high96.1Very high35 Ų3535.3 Ų35.322%0.21517%0.172CC..THydrogen-bonded Turntrans-94.7-1.9176.372.20000113.4D89 L125 K128 V130D89-T91 VanDerWaalsContact CG-OG1 3.24Å; D89-T91 PolarHBondContact O-N 2.9Å; D89-T91 VanDerWaalsContact O-N 3.11Å; D89-T91 WeakPolarHBondContact OD1-CA 3.45Å; D89-T91 WeakPolarHBondContact OD1-CB 3.22Å; D89-T91 PolarHBondContact OD1-N 3.2Å; D89-T91 PolarHBondContact OD1-OG1 3.45Å; D89-T91 PolarHBondContact OD2-OG1 3.35Å; T91-L125 HydrophobicContact CG2-CB 3.62Å; T91-L125 HydrophobicContact CG2-CD1 3.92Å; T91-L125 HydrophobicContact CG2-CG 4.42Å; T91-K128 WeakPolarHBondContact CA-O 3.36Å; T91-K128 WeakPolarHBondContact CB-O 3.48Å; T91-K128 HydrophobicContact CG2-CB 3.79Å; T91-V130 VanDerWaalsContact C-CG2 3.5Å; T91-V130 WeakPolarHBondContact O-CG2 3.14Å
92D97.2Very high96.1Very high61 Ų6135.2 Ų35.233%0.32617%0.17SC..  trans-128104.4-178.7-179.2-3000111.4D89 E94 S95 Y96D89-D92 HydrophobicContact CB-CB 4.01Å; D89-D92 PolarHBondContact O-N 3.08Å; D89-D92 VanDerWaalsContact O-O 3.13Å; D92-E94 VanDerWaalsContact C-N 3.28Å; D92-E94 PolarHBondContact O-N 2.96Å; D92-E94 WeakPolarHBondContact OD1-CB 3.38Å; D92-E94 PolarHBondContact OD1-N 2.96Å; D92-S95 PolarHBondContact O-N 2.83Å; D92-S95 PolarHBondContact O-OG 2.8Å; D92-S95 PolarHBondContact OD1-N 2.66Å; D92-Y96 PolarHBondContact O-N 2.85Å
93Q96.7Very high95.9Very high75 Ų7534.1 Ų34.135%0.3517%0.166SC..Hα-helixtrans-64-31.2179.6-172.460.659.700113.1Y96 N97 V130Q93-Y96 PolarHBondContact O-N 3.06Å; Q93-N97 PolarHBondContact NE2-OD1 2.84Å; Q93-N97 PolarHBondContact O-N 2.88Å; Q93-N97 PolarHBondContact O-ND2 3.19Å; Q93-N97 PolarHBondContact O-OD1 3.16Å; Q93-V130 HydrophobicContact CB-CG2 4.01Å; Q93-V130 PolarHBondContact OE1-O 2.86Å
94E96Very high95.7Very high132 Ų13240.8 Ų40.862%0.61720%0.197SC*.Hα-helixtrans-68.3-43.5179.3-172.4173.9178.700110.3D92 Y96 N97 N98D92-E94 VanDerWaalsContact C-N 3.28Å; D92-E94 PolarHBondContact O-N 2.96Å; D92-E94 WeakPolarHBondContact OD1-CB 3.38Å; D92-E94 PolarHBondContact OD1-N 2.96Å; E94-Y96 PolarHBondContact O-N 2.84Å; E94-N97 PolarHBondContact O-N 3.39Å; E94-N97 VanDerWaalsContact O-N 3.07Å; E94-N98 PolarHBondContact O-N 3.31Å; E94-N98 PolarHBondContact O-ND2 3.42Å
95S96.1Very high95.4Very high2 Ų241.9 Ų41.91%0.01420%0.202CC..Hα-helixtrans-57.4-37175.5820000112.7D89 D92D89-S95 PolarHBondContact N-OG 2.84Å; D89-S95 PolarHBondContact O-OG 3.49Å; D92-S95 PolarHBondContact O-N 2.83Å; D92-S95 PolarHBondContact O-OG 2.8Å; D92-S95 PolarHBondContact OD1-N 2.66Å
96Y97.6Very high95.1Very high26 Ų2641.9 Ų41.910%0.10220%0.202CC..Hα-helixtrans-69.8-44.8174.5177.8-98.7000112Y88 D92 Q93 E94 N98 I99 V131 T135 A136 F139Y88-Y96 HydrophobicContact CD1-CD2 4.34Å; Y88-Y96 AromaticContact CD2-CD2 3.94Å; Y88-Y96 HydrophobicContact CD2-CD2 3.94Å; Y88-Y96 HydrophobicContact CD2-CG 4.4Å; Y88-Y96 HydrophobicContact CE1-CD2 4.13Å; Y88-Y96 AromaticContact CE2-CD2 3.75Å; Y88-Y96 HydrophobicContact CE2-CD2 3.75Å; Y88-Y96 HydrophobicContact CE2-CG 4.44Å; Y88-Y96 HydrophobicContact CG-CD2 4.23Å; Y88-Y96 AromaticContact CZ-CD2 3.84Å; D92-Y96 PolarHBondContact O-N 2.85Å; Q93-Y96 PolarHBondContact O-N 3.06Å; E94-Y96 PolarHBondContact O-N 2.84Å; Y96-N98 PolarHBondContact O-N 3.3Å; Y96-I99 HydrophobicContact CD2-CD1 3.31Å; Y96-I99 HydrophobicContact CE2-CD1 3.75Å; Y96-I99 HydrophobicContact CG-CD1 3.98Å; Y96-I99 VanDerWaalsContact O-CB 3.3Å; Y96-I99 WeakPolarHBondContact O-CB 3.36Å; Y96-I99 VanDerWaalsContact O-CD1 3.23Å; Y96-I99 WeakPolarHBondContact O-CD1 3.38Å; Y96-I99 WeakPolarHBondContact O-CG1 3.36Å; Y96-I99 PolarHBondContact O-N 2.9Å; Y96-I99 VanDerWaalsContact O-N 3.09Å; Y96-V131 HydrophobicContact CD1-CG1 4.3Å; Y96-V131 HydrophobicContact CD2-CG1 3.65Å; Y96-V131 HydrophobicContact CE2-CG1 3.99Å; Y96-V131 HydrophobicContact CG-CG1 3.83Å; Y96-V131 HydrophobicContact CG-CG2 4.15Å; Y96-T135 PolarHBondContact OH-O 3.28Å; Y96-A136 HydrophobicContact CE2-CB 3.75Å; Y96-F139 WeakPolarHBondContact OH-CB 3.2Å
97N95.8Very high94.8Very high92 Ų9244.9 Ų44.949%0.49223%0.233SC..Hα-helixtrans-60.2-33.9178.5-66.9-19.4000111.9Q93 E94 I99Q93-N97 PolarHBondContact NE2-OD1 2.84Å; Q93-N97 PolarHBondContact O-N 2.88Å; Q93-N97 PolarHBondContact O-ND2 3.19Å; Q93-N97 PolarHBondContact O-OD1 3.16Å; E94-N97 PolarHBondContact O-N 3.39Å; E94-N97 VanDerWaalsContact O-N 3.07Å; N97-I99 VanDerWaalsContact C-N 3.28Å; N97-I99 PolarHBondContact O-N 3.14Å
98N94.9Very high94.5Very high25 Ų2554 Ų5413%0.13427%0.267CS..THydrogen-bonded Turntrans-73.6-11.3179.3-71.6-24.2000114.3D16 E94 Y96 K100 Q101 W102D16-N98 WeakPolarHBondContact OD2-CB 3.36Å; D16-N98 PolarHBondContact OD2-ND2 2.97Å; E94-N98 PolarHBondContact O-N 3.31Å; E94-N98 PolarHBondContact O-ND2 3.42Å; Y96-N98 PolarHBondContact O-N 3.3Å; N98-K100 PolarHBondContact O-N 3.17Å; N98-K100 VanDerWaalsContact O-N 3.16Å; N98-Q101 WeakPolarHBondContact O-CB 3.37Å; N98-Q101 PolarHBondContact O-N 2.96Å; N98-Q101 PolarHBondContact OD1-NE2 3.1Å; N98-W102 PolarHBondContact O-N 3.01Å
99I94.6Very high94.1Very high2 Ų258.3 Ų58.31%0.0128%0.284CS..Hα-helixtrans-53.4-39.2175.2-66161.4000111.5V86 Y88 Y96 N97 Q101 W102 L103 L118 F139V86-I99 HydrophobicContact CG1-CG2 4.21Å; Y88-I99 HydrophobicContact CD1-CD1 3.59Å; Y88-I99 HydrophobicContact CD1-CG1 4.4Å; Y88-I99 HydrophobicContact CE1-CD1 4.15Å; Y88-I99 HydrophobicContact CG-CD1 3.86Å; Y96-I99 HydrophobicContact CD2-CD1 3.31Å; Y96-I99 HydrophobicContact CE2-CD1 3.75Å; Y96-I99 HydrophobicContact CG-CD1 3.98Å; Y96-I99 VanDerWaalsContact O-CB 3.3Å; Y96-I99 WeakPolarHBondContact O-CB 3.36Å; Y96-I99 VanDerWaalsContact O-CD1 3.23Å; Y96-I99 WeakPolarHBondContact O-CD1 3.38Å; Y96-I99 WeakPolarHBondContact O-CG1 3.36Å; Y96-I99 PolarHBondContact O-N 2.9Å; Y96-I99 VanDerWaalsContact O-N 3.09Å; N97-I99 VanDerWaalsContact C-N 3.28Å; N97-I99 PolarHBondContact O-N 3.14Å; I99-Q101 VanDerWaalsContact C-N 3.25Å; I99-Q101 PolarHBondContact O-N 2.75Å; I99-W102 PolarHBondContact O-N 3.43Å; I99-W102 VanDerWaalsContact O-N 3.14Å; I99-L103 HydrophobicContact CG2-CD1 3.83Å; I99-L103 HydrophobicContact CG2-CG 4.08Å; I99-L103 WeakPolarHBondContact O-CG 3.44Å; I99-L103 PolarHBondContact O-N 3.1Å; I99-L118 HydrophobicContact CD1-CD1 3.74Å; I99-L118 HydrophobicContact CD1-CD2 4.41Å; I99-L118 HydrophobicContact CG1-CD1 4.14Å; I99-L118 HydrophobicContact CG2-CD1 4Å; I99-F139 HydrophobicContact CB-CE1 4.49Å; I99-F139 HydrophobicContact CG2-CE1 3.75Å; I99-F139 HydrophobicContact CG2-CZ 4.35Å
100K93.3Very high93.8Very high132 Ų13258.7 Ų58.757%0.57429%0.289SS*.Hα-helixtrans-59.5-38178.8-68.9179.3-179.1175.30112N98 Q104 F139N98-K100 PolarHBondContact O-N 3.17Å; N98-K100 VanDerWaalsContact O-N 3.16Å; K100-Q104 VanDerWaalsContact O-CG 3.3Å; K100-Q104 WeakPolarHBondContact O-CG 3.45Å; K100-Q104 PolarHBondContact O-N 2.75Å; K100-Q104 VanDerWaalsContact O-N 3.1Å; K100-F139 HydrophobicContact CG-CE2 4.3Å; K100-F139 HydrophobicContact CG-CZ 4.03Å
101Q92.1Very high93.3Very high87 Ų8761.9 Ų61.941%0.40731%0.311SS..Hα-helixtrans-68-44.2176.2-59.1-179.611.100110.7R71 N98 I99 L103 Q104 E105R71-Q101 VanDerWaalsContact NH1-OE1 3.15Å; N98-Q101 WeakPolarHBondContact O-CB 3.37Å; N98-Q101 PolarHBondContact O-N 2.96Å; N98-Q101 PolarHBondContact OD1-NE2 3.1Å; I99-Q101 VanDerWaalsContact C-N 3.25Å; I99-Q101 PolarHBondContact O-N 2.75Å; Q101-L103 VanDerWaalsContact C-N 3.31Å; Q101-L103 PolarHBondContact O-N 2.99Å; Q101-Q104 WeakPolarHBondContact O-CB 3.43Å; Q101-Q104 PolarHBondContact O-N 2.78Å; Q101-E105 PolarHBondContact O-N 3.23Å
102W92.5Very high92.6Very high4 Ų469.1 Ų69.12%0.01534%0.342CS..Hα-helixtrans-61.1-38.6176.5-68.9114.8000112.6I14 G15 D16 R71 V86 N98 I99 E105 I106I14-W102 HydrophobicContact CB-CE3 4.16Å; I14-W102 HydrophobicContact CB-CZ3 4.43Å; I14-W102 HydrophobicContact CD1-CB 3.93Å; I14-W102 HydrophobicContact CD1-CD2 4.43Å; I14-W102 HydrophobicContact CD1-CE3 4Å; I14-W102 HydrophobicContact CD1-CG 4.47Å; I14-W102 HydrophobicContact CG1-CE3 4.41Å; G15-W102 WeakPolarHBondContact O-CZ2 3.44Å; D16-W102 PolarHBondContact OD1-NE1 2.8Å; R71-W102 HydrophobicContact CG-CH2 4.18Å; V86-W102 HydrophobicContact CG1-CB 3.99Å; V86-W102 HydrophobicContact CG1-CG 4.49Å; N98-W102 PolarHBondContact O-N 3.01Å; I99-W102 PolarHBondContact O-N 3.43Å; I99-W102 VanDerWaalsContact O-N 3.14Å; W102-E105 WeakPolarHBondContact CZ3-OE2 3.3Å; W102-E105 WeakPolarHBondContact O-CB 3.4Å; W102-E105 PolarHBondContact O-N 3.46Å; W102-I106 WeakPolarHBondContact O-CG1 3.45Å; W102-I106 PolarHBondContact O-N 3.41Å
103L92.6Very high92.1Very high30 Ų3072 Ų7216%0.15736%0.358CS..Hα-helixtrans-67.1-37.8175-69.9171.3000112.7V86 I99 Q101 E105 I106 G107 K116 F139 L143V86-L103 HydrophobicContact CG2-CD2 4.4Å; I99-L103 HydrophobicContact CG2-CD1 3.83Å; I99-L103 HydrophobicContact CG2-CG 4.08Å; I99-L103 WeakPolarHBondContact O-CG 3.44Å; I99-L103 PolarHBondContact O-N 3.1Å; Q101-L103 VanDerWaalsContact C-N 3.31Å; Q101-L103 PolarHBondContact O-N 2.99Å; L103-E105 VanDerWaalsContact C-N 3.32Å; L103-I106 HydrophobicContact CD2-CD1 4.2Å; L103-I106 PolarHBondContact O-N 2.79Å; L103-G107 PolarHBondContact O-N 2.96Å; L103-K116 HydrophobicContact CD2-CD 4.43Å; L103-F139 HydrophobicContact CD1-CE1 4.13Å; L103-F139 HydrophobicContact CD1-CZ 3.93Å; L103-L143 HydrophobicContact CD1-CD1 3.42Å; L103-L143 VanDerWaalsContact CD1-CD1 3.42Å
104Q91.7Very high92Very high141 Ų14169 Ų6966%0.65934%0.344SS*.Hα-helixtrans-63.8-39.5172.3-71.8170.94.800111.3K100 Q101 G107 R108K100-Q104 VanDerWaalsContact O-CG 3.3Å; K100-Q104 WeakPolarHBondContact O-CG 3.45Å; K100-Q104 PolarHBondContact O-N 2.75Å; K100-Q104 VanDerWaalsContact O-N 3.1Å; Q101-Q104 WeakPolarHBondContact O-CB 3.43Å; Q101-Q104 PolarHBondContact O-N 2.78Å; Q104-G107 PolarHBondContact O-N 3.26Å; Q104-R108 PolarHBondContact O-N 2.68Å
105E89Confident92Very high23 Ų2363.8 Ų63.811%0.10732%0.321CS..Hα-helixtrans-63.4-43.6176.3-167.3173.9147.800111.8Y78 Q101 W102 L103 G107 R108 Y109Y78-E105 HydrophobicContact CE1-CG 4.47Å; Y78-E105 HydrophobicContact CE2-CG 4.18Å; Y78-E105 WeakPolarHBondContact CE2-OE1 3.29Å; Y78-E105 VanDerWaalsContact CZ-OE1 3.25Å; Y78-E105 WeakPolarHBondContact OH-CG 3.38Å; Y78-E105 PolarHBondContact OH-OE1 2.57Å; Q101-E105 PolarHBondContact O-N 3.23Å; W102-E105 WeakPolarHBondContact CZ3-OE2 3.3Å; W102-E105 WeakPolarHBondContact O-CB 3.4Å; W102-E105 PolarHBondContact O-N 3.46Å; L103-E105 VanDerWaalsContact C-N 3.32Å; E105-G107 VanDerWaalsContact C-N 3.33Å; E105-G107 PolarHBondContact O-N 2.97Å; E105-R108 PolarHBondContact O-N 3.19Å; E105-R108 VanDerWaalsContact O-N 3.12Å; E105-Y109 HydrophobicContact CG-CD2 3.59Å; E105-Y109 HydrophobicContact CG-CE2 3.75Å; E105-Y109 WeakPolarHBondContact O-CD2 3.21Å; E105-Y109 PolarHBondContact O-N 3.11Å
106I91.6Very high92.1Very high2 Ų267.2 Ų67.21%0.0134%0.335CS..Hα-helixtrans-56.5-48.7171.5-67.7164.2000110.3I14 Y78 I84 V86 W102 L103 R108 Y109 A110 V114 K116I14-I106 HydrophobicContact CD1-CD1 3.62Å; I14-I106 HydrophobicContact CD1-CG1 3.7Å; Y78-I106 HydrophobicContact CD1-CG1 4.44Å; Y78-I106 HydrophobicContact CE1-CG1 3.9Å; I84-I106 HydrophobicContact CB-CD1 4.3Å; I84-I106 HydrophobicContact CD1-CB 4.48Å; I84-I106 HydrophobicContact CD1-CD1 4.48Å; I84-I106 HydrophobicContact CD1-CG1 3.9Å; I84-I106 HydrophobicContact CD1-CG2 3.96Å; I84-I106 HydrophobicContact CG2-CD1 3.8Å; I84-I106 HydrophobicContact CG2-CG1 4.1Å; V86-I106 HydrophobicContact CG2-CD1 3.65Å; W102-I106 WeakPolarHBondContact O-CG1 3.45Å; W102-I106 PolarHBondContact O-N 3.41Å; L103-I106 HydrophobicContact CD2-CD1 4.2Å; L103-I106 PolarHBondContact O-N 2.79Å; I106-R108 PolarHBondContact O-N 2.89Å; I106-Y109 PolarHBondContact O-N 2.7Å; I106-A110 HydrophobicContact CG2-CB 3.87Å; I106-A110 WeakPolarHBondContact O-CB 3.28Å; I106-A110 PolarHBondContact O-N 3.28Å; I106-V114 HydrophobicContact CG2-CG1 3.71Å; I106-K116 HydrophobicContact CG2-CD 4.36Å
107G91Very high92.1Very high63 Ų6366 Ų6665%0.64933%0.331SS*.Hα-helixtrans-61.6-25.2179.300000114L103 Q104 E105L103-G107 PolarHBondContact O-N 2.96Å; Q104-G107 PolarHBondContact O-N 3.26Å; E105-G107 VanDerWaalsContact C-N 3.33Å; E105-G107 PolarHBondContact O-N 2.97Å
108R90.4Very high92.2Very high194 Ų19461.7 Ų61.773%0.73231%0.308SS*.Hα-helixtrans-86.4-37.1-179.6-172.7175.5177.9176.2-1.4113.7Q104 E105 I106Q104-R108 PolarHBondContact O-N 2.68Å; E105-R108 PolarHBondContact O-N 3.19Å; E105-R108 VanDerWaalsContact O-N 3.12Å; I106-R108 PolarHBondContact O-N 2.89Å
109Y89.9Confident92.4Very high90 Ų9060.5 Ų60.535%0.35330%0.301SS..Hα-helixtrans-117.8-21.9-168.6-58.3-57.7000115.1E105 I106E105-Y109 HydrophobicContact CG-CD2 3.59Å; E105-Y109 HydrophobicContact CG-CE2 3.75Å; E105-Y109 WeakPolarHBondContact O-CD2 3.21Å; E105-Y109 PolarHBondContact O-N 3.11Å; I106-Y109 PolarHBondContact O-N 2.7Å
110A90.5Very high92.5Very high17 Ų1760.4 Ų60.414%0.1430%0.301CS..SBendtrans-87165178.800000111.7Y78 I84 I106 V114Y78-A110 HydrophobicContact CD1-CB 4.28Å; I84-A110 HydrophobicContact CD1-CB 3.79Å; I106-A110 HydrophobicContact CG2-CB 3.87Å; I106-A110 WeakPolarHBondContact O-CB 3.28Å; I106-A110 PolarHBondContact O-N 3.28Å; A110-V114 HydrophobicContact CB-CB 4.25Å; A110-V114 HydrophobicContact CB-CG1 3.76Å
111S88.1Confident92.8Very high67 Ų6754.3 Ų54.347%0.46927%0.274SS..  trans-65.8143.5170.8-58.80000110.7N113 V114S111-N113 PolarHBondContact O-N 3.45Å; S111-V114 WeakPolarHBondContact O-CB 3.33Å; S111-V114 WeakPolarHBondContact O-CG1 3.31Å; S111-V114 PolarHBondContact O-N 2.92Å
112E83.9Confident93Very high187 Ų18752.8 Ų52.887%0.87427%0.267SS*.THydrogen-bonded Turntrans-52.2-35.3-177.2-67.3-178.116800113.3V114E112-V114 PolarHBondContact O-N 3.46Å
113N86.3Confident93.2Very high121 Ų12153.7 Ų53.765%0.64727%0.273SS*.THydrogen-bonded Turntrans-884.1-175.9-65.9-33.2000114.5S111 N115 R172S111-N113 PolarHBondContact O-N 3.45Å; N113-N115 PolarHBondContact O-N 2.89Å; N113-R172 WeakPolarHBondContact O-CD 3.32Å; N113-R172 PolarHBondContact O-NH1 3.33Å
114V94.3Very high93.4Very high11 Ų1154.4 Ų54.47%0.06728%0.277CS..  trans-57.2131.8-175.671.90000111.9A81 I84 I106 A110 S111 E112 K116A81-V114 HydrophobicContact CB-CG2 4.41Å; A81-V114 WeakPolarHBondContact O-CG2 3.45Å; I84-V114 HydrophobicContact CD1-CG1 4.33Å; I84-V114 HydrophobicContact CD1-CG2 3.85Å; I84-V114 HydrophobicContact CG1-CG2 3.73Å; I106-V114 HydrophobicContact CG2-CG1 3.71Å; A110-V114 HydrophobicContact CB-CB 4.25Å; A110-V114 HydrophobicContact CB-CG1 3.76Å; S111-V114 WeakPolarHBondContact O-CB 3.33Å; S111-V114 WeakPolarHBondContact O-CG1 3.31Å; S111-V114 PolarHBondContact O-N 2.92Å; E112-V114 PolarHBondContact O-N 3.46Å; V114-K116 HydrophobicContact CG1-CG 4.44Å
115N96.2Very high93.5Very high23 Ų2350.3 Ų50.312%0.12326%0.259CS..EExtended strand (participates in β ladder)trans-71.6142.3174.8-70.487.5000109.4H82 G83 I84 N113 M165 E168 I169 R172H82-N115 PolarHBondContact O-N 2.85Å; H82-N115 VanDerWaalsContact O-N 3.1Å; G83-N115 CarbonylContact C-O 3.54Å; G83-N115 WeakPolarHBondContact CA-O 3.19Å; I84-N115 PolarHBondContact N-O 3.31Å; N113-N115 PolarHBondContact O-N 2.89Å; N115-M165 HydrophobicContact CB-SD 3.71Å; N115-E168 PolarHBondContact ND2-O 2.96Å; N115-I169 HydrophobicContact CB-CG1 3.84Å; N115-I169 WeakPolarHBondContact OD1-CA 3.44Å; N115-I169 WeakPolarHBondContact OD1-CG1 3.35Å; N115-R172 WeakPolarHBondContact OD1-CD 3.44Å; N115-R172 PolarHBondContact OD1-NH1 3.41Å
116K96.8Very high93.7Very high74 Ų7454.3 Ų54.332%0.32229%0.286SS..EExtended strand (participates in β ladder)trans-125142.4-178.3-60.4166.5-162.2163.70108.5I84 L103 I106 V114 I145 P146I84-K116 WeakPolarHBondContact O-CA 3.3Å; L103-K116 HydrophobicContact CD2-CD 4.43Å; I106-K116 HydrophobicContact CG2-CD 4.36Å; V114-K116 HydrophobicContact CG1-CG 4.44Å; K116-I145 HydrophobicContact CB-CB 4.45Å; K116-I145 HydrophobicContact CB-CG2 3.8Å; K116-I145 HydrophobicContact CD-CG2 4.37Å; K116-P146 WeakPolarHBondContact O-CD 3.44Å
117L97.9Very high93.9Very high2 Ų260.7 Ų60.71%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-136.2132.5173.8172.669000108I84 I85 V86 V119 P146 L148 S161 M165I84-L117 PolarHBondContact O-N 2.93Å; I85-L117 WeakPolarHBondContact CA-O 3.24Å; I85-L117 HydrophobicContact CD1-CD2 4.26Å; I85-L117 HydrophobicContact CG1-CB 4.36Å; I85-L117 HydrophobicContact CG1-CD2 4.19Å; I85-L117 HydrophobicContact CG2-CD2 4.21Å; I85-L117 HydrophobicContact CG2-CG 4.44Å; V86-L117 PolarHBondContact N-O 2.88Å; L117-V119 HydrophobicContact CD2-CG2 3.95Å; L117-V119 HydrophobicContact CG-CG2 3.98Å; L117-P146 HydrophobicContact CD1-CB 3.72Å; L117-P146 WeakPolarHBondContact CD1-O 3.49Å; L117-L148 HydrophobicContact CD1-CD1 4.45Å; L117-S161 VanDerWaalsContact CD2-O 3.24Å; L117-S161 WeakPolarHBondContact CD2-O 3.47Å; L117-M165 HydrophobicContact CB-CE 3.39Å; L117-M165 HydrophobicContact CD2-CB 4.35Å
118L98.3Very high94.1Very high1 Ų164.2 Ų64.21%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-94132.5171.4-175.463000110.1V86 Y88 I99 F139 A140 I145 P146 F147 L148V86-L118 HydrophobicContact CB-CD1 4.23Å; V86-L118 HydrophobicContact CG1-CD1 4.39Å; Y88-L118 HydrophobicContact CD1-CD1 3.9Å; Y88-L118 HydrophobicContact CD1-CG 4.36Å; Y88-L118 HydrophobicContact CE1-CD1 4.14Å; Y88-L118 HydrophobicContact CE1-CD2 4.3Å; Y88-L118 HydrophobicContact CE1-CG 4.09Å; I99-L118 HydrophobicContact CD1-CD1 3.74Å; I99-L118 HydrophobicContact CD1-CD2 4.41Å; I99-L118 HydrophobicContact CG1-CD1 4.14Å; I99-L118 HydrophobicContact CG2-CD1 4Å; L118-F139 HydrophobicContact CD2-CD1 4.22Å; L118-A140 HydrophobicContact CD2-CB 4.11Å; L118-I145 HydrophobicContact CB-CD1 3.99Å; L118-P146 PolarHBondContact N-O 3.31Å; L118-F147 HydrophobicContact CB-CD2 4Å; L118-F147 HydrophobicContact CD2-CD2 3.88Å; L118-F147 HydrophobicContact CD2-CE2 4.35Å; L118-F147 HydrophobicContact CG-CD2 3.79Å; L118-F147 HydrophobicContact CG-CE2 4.3Å; L118-F147 WeakPolarHBondContact O-CA 3.45Å; L118-F147 WeakPolarHBondContact O-CD2 3.43Å; L118-L148 PolarHBondContact O-N 2.94Å; L118-L148 VanDerWaalsContact O-N 3.11Å
119V98.5Very high94.3Very high0 Ų058 Ų580%030%0.301CS..EExtended strand (participates in β ladder)trans-127.4120.7178.6172.90000110.4L24 I85 V86 V87 Y88 L117 L148 T150L24-V119 HydrophobicContact CD1-CG1 4.06Å; I85-V119 HydrophobicContact CG2-CB 4.12Å; I85-V119 HydrophobicContact CG2-CG2 3.49Å; I85-V119 VanDerWaalsContact CG2-CG2 3.49Å; V86-V119 PolarHBondContact O-N 2.92Å; V87-V119 WeakPolarHBondContact CA-O 3.42Å; V87-V119 HydrophobicContact CG1-CG1 4.38Å; V87-V119 HydrophobicContact CG2-CB 4.37Å; Y88-V119 VanDerWaalsContact CD1-O 3.22Å; Y88-V119 WeakPolarHBondContact CD1-O 3.44Å; Y88-V119 PolarHBondContact N-O 3.18Å; L117-V119 HydrophobicContact CD2-CG2 3.95Å; L117-V119 HydrophobicContact CG-CG2 3.98Å; V119-L148 CarbonylContact C-O 3.6Å; V119-L148 VanDerWaalsContact CA-O 3.3Å; V119-L148 WeakPolarHBondContact CA-O 3.41Å; V119-T150 HydrophobicContact CG1-CG2 3.64Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.31Å
120G98.4Very high94.7Very high0 Ų057.3 Ų57.30%031%0.306CS..EExtended strand (participates in β ladder)trans-94.3102.6169.100000110.3Y88 L148 E149 T150Y88-G120 VanDerWaalsContact CZ-CA 3.45Å; G120-L148 PolarHBondContact N-O 2.86Å; G120-E149 CarbonylContact O-C 3.56Å; G120-E149 WeakPolarHBondContact O-CA 3.3Å; G120-T150 PolarHBondContact O-N 2.89Å
121N98.1Very high95Very high3 Ų356.6 Ų56.62%0.01630%0.3CS..EExtended strand (participates in β ladder)trans-88166.1-175.4-166.935.3000112.6V19 L24 V87 Y88 V90 T150 A152V19-N121 PolarHBondContact O-ND2 3.01Å; L24-N121 HydrophobicContact CD1-CB 4.27Å; V87-N121 HydrophobicContact CG1-CB 3.85Å; Y88-N121 PolarHBondContact O-N 3.21Å; V90-N121 WeakPolarHBondContact CG2-O 3.25Å; V90-N121 PolarHBondContact N-O 3.12Å; N121-T150 CarbonylContact C-O 3.59Å; N121-T150 VanDerWaalsContact C-O 3.31Å; N121-T150 VanDerWaalsContact CA-O 3.25Å; N121-T150 WeakPolarHBondContact CA-O 3.3Å; N121-T150 PolarHBondContact OD1-O 3.45Å; N121-T150 PolarHBondContact OD1-OG1 3.3Å; N121-T150 VanDerWaalsContact OD1-OG1 3.12Å; N121-A152 PolarHBondContact OD1-N 3.01Å
122K96.9Very high95.4Very high56 Ų5658.5 Ų58.524%0.24330%0.304CS..  trans66.733.6-178.8-45.2-170.6-163.7165.20114G18 D89 V90 D124 L125 T150G18-K122 WeakPolarHBondContact O-CE 3.44Å; G18-K122 PolarHBondContact O-NZ 3.45Å; D89-K122 VanDerWaalsContact OD2-CD 3.25Å; D89-K122 WeakPolarHBondContact OD2-CD 3.24Å; D89-K122 WeakPolarHBondContact OD2-CE 3.46Å; D89-K122 IonicContact OD2-NZ 2.66Å; D89-K122 PolarHBondContact OD2-NZ 3.19Å; V90-K122 WeakPolarHBondContact CG2-O 3.46Å; K122-D124 WeakPolarHBondContact CA-OD1 3.26Å; K122-D124 PolarHBondContact O-N 3.44Å; K122-D124 VanDerWaalsContact O-N 3.13Å; K122-L125 HydrophobicContact CB-CD1 4.18Å; K122-L125 HydrophobicContact CB-CG 4.49Å; K122-L125 HydrophobicContact CD-CD1 4.32Å; K122-L125 PolarHBondContact O-N 3.5Å; K122-T150 PolarHBondContact N-O 2.73Å
123C96.8Very high95.9Very high23 Ų2354.4 Ų54.416%0.15528%0.282CS..THydrogen-bonded Turntrans-64.5-13.4178.168.90000114.2L125 E149 T150C123-L125 PolarHBondContact O-N 3.02Å; C123-E149 HydrophobicContact CB-CB 3.97Å; C123-T150 PolarHBondContact N-O 3.21Å; C123-T150 VanDerWaalsContact N-O 3.13Å; C123-T150 PolarHBondContact SG-O 3.01Å
124D96.3Very high96.4Very high45 Ų4552.8 Ų52.824%0.24128%0.276CS..THydrogen-bonded Turntrans-62.3-26170.259.2-74.9000112.9K122 T126 S151K122-D124 WeakPolarHBondContact CA-OD1 3.26Å; K122-D124 PolarHBondContact O-N 3.44Å; K122-D124 VanDerWaalsContact O-N 3.13Å; D124-T126 PolarHBondContact O-N 3.29Å; D124-S151 VanDerWaalsContact CG-OG 3.28Å; D124-S151 VanDerWaalsContact OD1-CB 3.24Å; D124-S151 WeakPolarHBondContact OD1-CB 3.34Å; D124-S151 PolarHBondContact OD1-OG 2.86Å
125L94.3Very high96.5Very high54 Ų5455.6 Ų55.628%0.28329%0.294SS..  trans-84.353.7-179.2-60.9-179.6000112.6T91 K122 C123 T127 K128 K129T91-L125 HydrophobicContact CG2-CB 3.62Å; T91-L125 HydrophobicContact CG2-CD1 3.92Å; T91-L125 HydrophobicContact CG2-CG 4.42Å; K122-L125 HydrophobicContact CB-CD1 4.18Å; K122-L125 HydrophobicContact CB-CG 4.49Å; K122-L125 HydrophobicContact CD-CD1 4.32Å; K122-L125 PolarHBondContact O-N 3.5Å; C123-L125 PolarHBondContact O-N 3.02Å; L125-T127 VanDerWaalsContact C-N 3.27Å; L125-T127 PolarHBondContact O-N 3.3Å; L125-T127 VanDerWaalsContact O-N 3.12Å; L125-K128 HydrophobicContact CB-CB 4.38Å; L125-K128 PolarHBondContact O-N 2.82Å; L125-K129 PolarHBondContact O-N 2.63Å
126T93.3Very high96.5Very high107 Ų10754.5 Ų54.566%0.65629%0.288SS*.G310 helixtrans-50.8-39.3-174.353.50000114.6D124 K128 K129D124-T126 PolarHBondContact O-N 3.29Å; T126-K128 VanDerWaalsContact C-N 3.33Å; T126-K128 PolarHBondContact O-N 3.23Å; T126-K129 WeakPolarHBondContact O-CB 3.48Å; T126-K129 PolarHBondContact O-N 3.06Å
127T95.3Very high96.5Very high136 Ų13654 Ų5483%0.83429%0.285SS*.G310 helixtrans-76-17.9-179.156.90000114.4L125L125-T127 VanDerWaalsContact C-N 3.27Å; L125-T127 PolarHBondContact O-N 3.3Å; L125-T127 VanDerWaalsContact O-N 3.12Å
128K95Very high96.5Very high137 Ų13759.8 Ų59.860%0.59631%0.312SS*.G310 helixtrans-104.20.7178.3-63.7-175.7177.8-178.10112.4T91 L125 T126 V130T91-K128 WeakPolarHBondContact CA-O 3.36Å; T91-K128 WeakPolarHBondContact CB-O 3.48Å; T91-K128 HydrophobicContact CG2-CB 3.79Å; L125-K128 HydrophobicContact CB-CB 4.38Å; L125-K128 PolarHBondContact O-N 2.82Å; T126-K128 VanDerWaalsContact C-N 3.33Å; T126-K128 PolarHBondContact O-N 3.23Å; K128-V130 PolarHBondContact O-N 2.81Å
129K96.3Very high96.4Very high65 Ų6561.5 Ų61.528%0.28332%0.32SS..  trans-63.6126-179.4-174.3169.5-178.4170.90109.4V90 L125 T126 V131 E149V90-K129 HydrophobicContact CB-CG 4.21Å; V90-K129 HydrophobicContact CG2-CG 4.22Å; L125-K129 PolarHBondContact O-N 2.63Å; T126-K129 WeakPolarHBondContact O-CB 3.48Å; T126-K129 PolarHBondContact O-N 3.06Å; K129-V131 WeakPolarHBondContact CE-O 3.23Å; K129-E149 WeakPolarHBondContact CE-OE1 3.46Å; K129-E149 IonicContact NZ-OE1 2.76Å; K129-E149 PolarHBondContact NZ-OE1 3.4Å; K129-E149 IonicContact NZ-OE2 2.79Å; K129-E149 PolarHBondContact NZ-OE2 3.3Å
130V97.3Very high96.3Very high75 Ų7561.5 Ų61.546%0.45532%0.32SS..  trans-118.3-19178.4-58.70000112.3V90 T91 Q93 K128V90-V130 PolarHBondContact O-N 3.1Å; T91-V130 VanDerWaalsContact C-CG2 3.5Å; T91-V130 WeakPolarHBondContact O-CG2 3.14Å; Q93-V130 HydrophobicContact CB-CG2 4.01Å; Q93-V130 PolarHBondContact OE1-O 2.86Å; K128-V130 PolarHBondContact O-N 2.81Å
131V96.9Very high96.2Very high2 Ų265.3 Ų65.31%0.01234%0.34CS..SBendtrans-99.5115.1176-174.50000109.4Y88 V90 Y96 K129 A136Y88-V131 HydrophobicContact CE2-CB 4.01Å; Y88-V131 HydrophobicContact CE2-CG1 3.77Å; Y88-V131 HydrophobicContact CE2-CG2 4.13Å; V90-V131 PolarHBondContact O-N 2.97Å; V90-V131 VanDerWaalsContact O-N 3.09Å; Y96-V131 HydrophobicContact CD1-CG1 4.3Å; Y96-V131 HydrophobicContact CD2-CG1 3.65Å; Y96-V131 HydrophobicContact CE2-CG1 3.99Å; Y96-V131 HydrophobicContact CG-CG1 3.83Å; Y96-V131 HydrophobicContact CG-CG2 4.15Å; K129-V131 WeakPolarHBondContact CE-O 3.23Å; V131-A136 HydrophobicContact CG1-CB 4.3Å
132D95.8Very high96.2Very high107 Ų10769.2 Ų69.257%0.57237%0.368SS*.  trans-69.5138.6178-72.2-32.8000112.3T134 T135 A136D132-T134 VanDerWaalsContact C-N 3.31Å; D132-T134 PolarHBondContact O-N 2.99Å; D132-T135 PolarHBondContact O-N 2.81Å; D132-A136 PolarHBondContact O-N 2.78Å; D132-A136 VanDerWaalsContact O-N 3.11Å
133Y96Very high96Very high101 Ų10170.2 Ų70.240%0.39638%0.376SS..Hα-helixtrans-56.6-46.7178.6179.1-87.2000111.3T135 A136 K137 F147 E149Y133-T135 VanDerWaalsContact C-N 3.35Å; Y133-T135 PolarHBondContact O-N 3.05Å; Y133-A136 PolarHBondContact O-N 3.48Å; Y133-K137 HydrophobicContact CD1-CB 4.28Å; Y133-K137 HydrophobicContact CE1-CB 4Å; Y133-K137 HydrophobicContact CE1-CG 4.16Å; Y133-K137 WeakPolarHBondContact O-CB 3.18Å; Y133-K137 PolarHBondContact O-N 2.77Å; Y133-F147 AromaticContact CD2-CE1 3.62Å; Y133-F147 HydrophobicContact CD2-CE1 3.62Å; Y133-F147 HydrophobicContact CD2-CZ 4.24Å; Y133-F147 HydrophobicContact CE2-CD1 4.02Å; Y133-F147 AromaticContact CE2-CE1 3.46Å; Y133-F147 HydrophobicContact CE2-CE1 3.46Å; Y133-F147 VanDerWaalsContact CE2-CE1 3.46Å; Y133-F147 HydrophobicContact CE2-CZ 4.3Å; Y133-F147 HydrophobicContact CG-CE1 4.22Å; Y133-F147 AromaticContact CZ-CE1 3.95Å; Y133-E149 HydrophobicContact CD2-CG 3.84Å; Y133-E149 WeakPolarHBondContact CD2-OE1 3.24Å; Y133-E149 HydrophobicContact CE2-CG 4.22Å
134T96.4Very high95.9Very high87 Ų8774.5 Ų74.553%0.53441%0.406SS..Hα-helixtrans-60.2-45.4-177.9-49.30000111.1D132 A136 K137 E138D132-T134 VanDerWaalsContact C-N 3.31Å; D132-T134 PolarHBondContact O-N 2.99Å; T134-A136 PolarHBondContact O-N 3.05Å; T134-K137 PolarHBondContact O-N 2.92Å; T134-E138 HydrophobicContact CG2-CG 4.42Å; T134-E138 WeakPolarHBondContact O-CB 3.49Å; T134-E138 WeakPolarHBondContact O-CG 3.45Å; T134-E138 PolarHBondContact O-N 2.96Å
135T95.6Very high95.8Very high70 Ų7073.1 Ų73.143%0.42940%0.398SS..Hα-helixtrans-61.1-46.3178.4-56.10000111.8Y96 D132 Y133 K137 F139Y96-T135 PolarHBondContact OH-O 3.28Å; D132-T135 PolarHBondContact O-N 2.81Å; Y133-T135 VanDerWaalsContact C-N 3.35Å; Y133-T135 PolarHBondContact O-N 3.05Å; T135-K137 VanDerWaalsContact C-N 3.34Å; T135-F139 WeakPolarHBondContact O-CB 3.47Å; T135-F139 PolarHBondContact O-N 3.21Å; T135-F139 VanDerWaalsContact O-N 3.09Å
136A96.5Very high95.9Very high0 Ų072.6 Ų72.60%040%0.398CS..Hα-helixtrans-67.3-36.3177.500000112.5Y88 Y96 V131 D132 Y133 T134 A140 F147Y88-A136 WeakPolarHBondContact OH-CB 3.25Å; Y96-A136 HydrophobicContact CE2-CB 3.75Å; V131-A136 HydrophobicContact CG1-CB 4.3Å; D132-A136 PolarHBondContact O-N 2.78Å; D132-A136 VanDerWaalsContact O-N 3.11Å; Y133-A136 PolarHBondContact O-N 3.48Å; T134-A136 PolarHBondContact O-N 3.05Å; A136-A140 WeakPolarHBondContact O-CB 3.38Å; A136-A140 PolarHBondContact O-N 3.02Å; A136-F147 HydrophobicContact CB-CE1 3.91Å; A136-F147 HydrophobicContact CB-CE2 4.06Å; A136-F147 HydrophobicContact CB-CZ 3.58Å
137K97.1Very high96.1Very high62 Ų6268 Ų6827%0.2737%0.369SS..Hα-helixtrans-67-48177.6179.356.8-179.9151.80111.7Y133 T134 T135 F139 A140 D141 F147Y133-K137 HydrophobicContact CD1-CB 4.28Å; Y133-K137 HydrophobicContact CE1-CB 4Å; Y133-K137 HydrophobicContact CE1-CG 4.16Å; Y133-K137 WeakPolarHBondContact O-CB 3.18Å; Y133-K137 PolarHBondContact O-N 2.77Å; T134-K137 PolarHBondContact O-N 2.92Å; T135-K137 VanDerWaalsContact C-N 3.34Å; K137-F139 VanDerWaalsContact C-N 3.3Å; K137-F139 PolarHBondContact O-N 3.12Å; K137-A140 PolarHBondContact O-N 3.44Å; K137-D141 WeakPolarHBondContact CE-OD1 3.33Å; K137-D141 WeakPolarHBondContact CE-OD2 3.35Å; K137-D141 IonicContact NZ-OD1 2.75Å; K137-D141 PolarHBondContact NZ-OD1 2.82Å; K137-D141 IonicContact NZ-OD2 2.7Å; K137-D141 PolarHBondContact NZ-OD2 2.86Å; K137-D141 WeakPolarHBondContact O-CB 3.32Å; K137-D141 VanDerWaalsContact O-CG 3.27Å; K137-D141 PolarHBondContact O-N 3.28Å; K137-F147 HydrophobicContact CB-CD1 3.83Å; K137-F147 HydrophobicContact CB-CE1 4.16Å; K137-F147 HydrophobicContact CD-CB 4.27Å; K137-F147 HydrophobicContact CD-CD1 3.94Å; K137-F147 HydrophobicContact CG-CD1 4.47Å
138E97.6Very high96.3Very high124 Ų12462.6 Ų62.658%0.57934%0.335SS*.Hα-helixtrans-59.6-41.6175.4-74.6175.8-178.600111.5T134 D141 S142T134-E138 HydrophobicContact CG2-CG 4.42Å; T134-E138 WeakPolarHBondContact O-CB 3.49Å; T134-E138 WeakPolarHBondContact O-CG 3.45Å; T134-E138 PolarHBondContact O-N 2.96Å; E138-D141 PolarHBondContact O-N 3.34Å; E138-S142 WeakPolarHBondContact O-CB 3.41Å; E138-S142 PolarHBondContact O-N 3.42Å
139F96.4Very high96.4Very high37 Ų3757.1 Ų57.116%0.16231%0.311CS..Hα-helixtrans-61.1-47.4174.5176.3-105.8000112.1Y96 I99 K100 L103 L118 T135 K137 D141 S142 L143Y96-F139 WeakPolarHBondContact OH-CB 3.2Å; I99-F139 HydrophobicContact CB-CE1 4.49Å; I99-F139 HydrophobicContact CG2-CE1 3.75Å; I99-F139 HydrophobicContact CG2-CZ 4.35Å; K100-F139 HydrophobicContact CG-CE2 4.3Å; K100-F139 HydrophobicContact CG-CZ 4.03Å; L103-F139 HydrophobicContact CD1-CE1 4.13Å; L103-F139 HydrophobicContact CD1-CZ 3.93Å; L118-F139 HydrophobicContact CD2-CD1 4.22Å; T135-F139 WeakPolarHBondContact O-CB 3.47Å; T135-F139 PolarHBondContact O-N 3.21Å; T135-F139 VanDerWaalsContact O-N 3.09Å; K137-F139 VanDerWaalsContact C-N 3.3Å; K137-F139 PolarHBondContact O-N 3.12Å; F139-D141 PolarHBondContact O-N 3.25Å; F139-S142 PolarHBondContact O-N 2.65Å; F139-S142 PolarHBondContact O-OG 3.41Å; F139-L143 HydrophobicContact CD1-CD1 4.4Å; F139-L143 HydrophobicContact CE1-CD1 3.76Å; F139-L143 HydrophobicContact CE2-CD1 4.03Å; F139-L143 HydrophobicContact CZ-CD1 3.56Å; F139-L143 PolarHBondContact O-N 2.77Å
140A96.8Very high96.5Very high0 Ų054 Ų540%030%0.298CS..Hα-helixtrans-62.6-41.817700000112.5L118 A136 K137 S142 L143 S144 I145 F147L118-A140 HydrophobicContact CD2-CB 4.11Å; A136-A140 WeakPolarHBondContact O-CB 3.38Å; A136-A140 PolarHBondContact O-N 3.02Å; K137-A140 PolarHBondContact O-N 3.44Å; A140-S142 PolarHBondContact O-N 3.22Å; A140-L143 CarbonylContact O-C 3.48Å; A140-L143 PolarHBondContact O-N 3.04Å; A140-L143 VanDerWaalsContact O-N 3.09Å; A140-S144 PolarHBondContact O-N 2.94Å; A140-S144 VanDerWaalsContact O-N 3.09Å; A140-I145 CarbonylContact C-O 3.56Å; A140-I145 HydrophobicContact CB-CG1 3.88Å; A140-I145 WeakPolarHBondContact O-CG1 3.35Å; A140-I145 PolarHBondContact O-N 3.21Å; A140-F147 HydrophobicContact CB-CB 3.59Å; A140-F147 HydrophobicContact CB-CG 4.32Å
141D96.4Very high96.5Very high81 Ų8150.5 Ų50.543%0.43328%0.276SS..Hα-helixtrans-65.4-38.3178.4-71.3-20.8000111.7K137 E138 F139 L143 S144K137-D141 WeakPolarHBondContact CE-OD1 3.33Å; K137-D141 WeakPolarHBondContact CE-OD2 3.35Å; K137-D141 IonicContact NZ-OD1 2.75Å; K137-D141 PolarHBondContact NZ-OD1 2.82Å; K137-D141 IonicContact NZ-OD2 2.7Å; K137-D141 PolarHBondContact NZ-OD2 2.86Å; K137-D141 WeakPolarHBondContact O-CB 3.32Å; K137-D141 VanDerWaalsContact O-CG 3.27Å; K137-D141 PolarHBondContact O-N 3.28Å; E138-D141 PolarHBondContact O-N 3.34Å; F139-D141 PolarHBondContact O-N 3.25Å; D141-L143 PolarHBondContact O-N 2.85Å; D141-L143 VanDerWaalsContact O-N 3.12Å; D141-S144 PolarHBondContact O-N 2.78Å
142S96.6Very high96.4Very high85 Ų8550.5 Ų50.559%0.59428%0.277SS*.Hα-helixtrans-59.5-24.2173.980.60000113.3E138 F139 A140E138-S142 WeakPolarHBondContact O-CB 3.41Å; E138-S142 PolarHBondContact O-N 3.42Å; F139-S142 PolarHBondContact O-N 2.65Å; F139-S142 PolarHBondContact O-OG 3.41Å; A140-S142 PolarHBondContact O-N 3.22Å
143L93.3Very high96.4Very high77 Ų7749.7 Ų49.740%0.40327%0.268SS..THydrogen-bonded Turntrans-101.10.2177.6-61175.2000112.7L103 F139 A140 D141 I145L103-L143 HydrophobicContact CD1-CD1 3.42Å; L103-L143 VanDerWaalsContact CD1-CD1 3.42Å; F139-L143 HydrophobicContact CD1-CD1 4.4Å; F139-L143 HydrophobicContact CE1-CD1 3.76Å; F139-L143 HydrophobicContact CE2-CD1 4.03Å; F139-L143 HydrophobicContact CZ-CD1 3.56Å; F139-L143 PolarHBondContact O-N 2.77Å; A140-L143 CarbonylContact O-C 3.48Å; A140-L143 PolarHBondContact O-N 3.04Å; A140-L143 VanDerWaalsContact O-N 3.09Å; D141-L143 PolarHBondContact O-N 2.85Å; D141-L143 VanDerWaalsContact O-N 3.12Å; L143-I145 HydrophobicContact CB-CD1 4.37Å; L143-I145 HydrophobicContact CB-CG1 4.18Å; L143-I145 HydrophobicContact CB-CG2 4.31Å; L143-I145 HydrophobicContact CD1-CD1 4.21Å; L143-I145 PolarHBondContact O-N 3.42Å
144S94.1Very high96.3Very high113 Ų11349 Ų4979%0.7927%0.272SS*.THydrogen-bonded Turntrans53.537.6-174-57.60000113.2A140 D141A140-S144 PolarHBondContact O-N 2.94Å; A140-S144 VanDerWaalsContact O-N 3.09Å; D141-S144 PolarHBondContact O-N 2.78Å
145I94.9Very high96.3Very high15 Ų1546.8 Ų46.88%0.07726%0.262CS..  trans-109.4141.2174.666.2-179.9000110K116 L118 A140 L143K116-I145 HydrophobicContact CB-CB 4.45Å; K116-I145 HydrophobicContact CB-CG2 3.8Å; K116-I145 HydrophobicContact CD-CG2 4.37Å; L118-I145 HydrophobicContact CB-CD1 3.99Å; A140-I145 CarbonylContact C-O 3.56Å; A140-I145 HydrophobicContact CB-CG1 3.88Å; A140-I145 WeakPolarHBondContact O-CG1 3.35Å; A140-I145 PolarHBondContact O-N 3.21Å; L143-I145 HydrophobicContact CB-CD1 4.37Å; L143-I145 HydrophobicContact CB-CG1 4.18Å; L143-I145 HydrophobicContact CB-CG2 4.31Å; L143-I145 HydrophobicContact CD1-CD1 4.21Å; L143-I145 PolarHBondContact O-N 3.42Å
146P96.7Very high96.4Very high43 Ų4346.1 Ų46.128%0.27926%0.258SS..  trans-63.6154.6172.9-17.230000111.3K116 L117 L118 T164 E168K116-P146 WeakPolarHBondContact O-CD 3.44Å; L117-P146 HydrophobicContact CD1-CB 3.72Å; L117-P146 WeakPolarHBondContact CD1-O 3.49Å; L118-P146 PolarHBondContact N-O 3.31Å; P146-T164 HydrophobicContact CB-CG2 4.39Å; P146-E168 HydrophobicContact CG-CG 4.34Å
147F98.1Very high96.4Very high10 Ų1048.9 Ų48.94%0.04427%0.273CS..EExtended strand (participates in β ladder)trans-138136.2179.7171-119.5000111.2Y88 L118 Y133 A136 K137 A140 E149Y88-F147 AromaticContact CE1-CE2 3.9Å; Y88-F147 HydrophobicContact CE1-CE2 3.9Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.44Å; Y88-F147 WeakPolarHBondContact OH-CZ 3.28Å; L118-F147 HydrophobicContact CB-CD2 4Å; L118-F147 HydrophobicContact CD2-CD2 3.88Å; L118-F147 HydrophobicContact CD2-CE2 4.35Å; L118-F147 HydrophobicContact CG-CD2 3.79Å; L118-F147 HydrophobicContact CG-CE2 4.3Å; L118-F147 WeakPolarHBondContact O-CA 3.45Å; L118-F147 WeakPolarHBondContact O-CD2 3.43Å; Y133-F147 AromaticContact CD2-CE1 3.62Å; Y133-F147 HydrophobicContact CD2-CE1 3.62Å; Y133-F147 HydrophobicContact CD2-CZ 4.24Å; Y133-F147 HydrophobicContact CE2-CD1 4.02Å; Y133-F147 AromaticContact CE2-CE1 3.46Å; Y133-F147 HydrophobicContact CE2-CE1 3.46Å; Y133-F147 VanDerWaalsContact CE2-CE1 3.46Å; Y133-F147 HydrophobicContact CE2-CZ 4.3Å; Y133-F147 HydrophobicContact CG-CE1 4.22Å; Y133-F147 AromaticContact CZ-CE1 3.95Å; A136-F147 HydrophobicContact CB-CE1 3.91Å; A136-F147 HydrophobicContact CB-CE2 4.06Å; A136-F147 HydrophobicContact CB-CZ 3.58Å; K137-F147 HydrophobicContact CB-CD1 3.83Å; K137-F147 HydrophobicContact CB-CE1 4.16Å; K137-F147 HydrophobicContact CD-CB 4.27Å; K137-F147 HydrophobicContact CD-CD1 3.94Å; K137-F147 HydrophobicContact CG-CD1 4.47Å; A140-F147 HydrophobicContact CB-CB 3.59Å; A140-F147 HydrophobicContact CB-CG 4.32Å; F147-E149 HydrophobicContact CE1-CG 4.33Å; F147-E149 HydrophobicContact CE2-CG 4.37Å; F147-E149 HydrophobicContact CZ-CG 3.67Å
148L98.1Very high96.4Very high23 Ų2346.1 Ų46.112%0.1226%0.261CS..EExtended strand (participates in β ladder)trans-138.5144.2174.5-69.1164.7000109.8L117 L118 V119 G120 Q160L117-L148 HydrophobicContact CD1-CD1 4.45Å; L118-L148 PolarHBondContact O-N 2.94Å; L118-L148 VanDerWaalsContact O-N 3.11Å; V119-L148 CarbonylContact C-O 3.6Å; V119-L148 VanDerWaalsContact CA-O 3.3Å; V119-L148 WeakPolarHBondContact CA-O 3.41Å; G120-L148 PolarHBondContact N-O 2.86Å; L148-Q160 HydrophobicContact CD1-CG 4.27Å
149E98.3Very high96.4Very high22 Ų2244 Ų4410%0.10325%0.251CS..EExtended strand (participates in β ladder)trans-94.9136.5162.1-76.4-172.2-176.400109.7V90 G120 C123 K129 Y133 F147 N157V90-E149 HydrophobicContact CG1-CG 4.28Å; G120-E149 CarbonylContact O-C 3.56Å; G120-E149 WeakPolarHBondContact O-CA 3.3Å; C123-E149 HydrophobicContact CB-CB 3.97Å; K129-E149 WeakPolarHBondContact CE-OE1 3.46Å; K129-E149 IonicContact NZ-OE1 2.76Å; K129-E149 PolarHBondContact NZ-OE1 3.4Å; K129-E149 IonicContact NZ-OE2 2.79Å; K129-E149 PolarHBondContact NZ-OE2 3.3Å; Y133-E149 HydrophobicContact CD2-CG 3.84Å; Y133-E149 WeakPolarHBondContact CD2-OE1 3.24Å; Y133-E149 HydrophobicContact CE2-CG 4.22Å; F147-E149 HydrophobicContact CE1-CG 4.33Å; F147-E149 HydrophobicContact CE2-CG 4.37Å; F147-E149 HydrophobicContact CZ-CG 3.67Å; E149-N157 VanDerWaalsContact O-CB 3.28Å; E149-N157 WeakPolarHBondContact O-CB 3.34Å; E149-N157 PolarHBondContact O-ND2 3.45Å
150T98.3Very high96.4Very high0 Ų046.8 Ų46.80%027%0.265CS..EExtended strand (participates in β ladder)trans-129.6159.2-175.462.60000111.6V119 G120 N121 K122 C123 T156 N157V119-T150 HydrophobicContact CG1-CG2 3.64Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.31Å; G120-T150 PolarHBondContact O-N 2.89Å; N121-T150 CarbonylContact C-O 3.59Å; N121-T150 VanDerWaalsContact C-O 3.31Å; N121-T150 VanDerWaalsContact CA-O 3.25Å; N121-T150 WeakPolarHBondContact CA-O 3.3Å; N121-T150 PolarHBondContact OD1-O 3.45Å; N121-T150 PolarHBondContact OD1-OG1 3.3Å; N121-T150 VanDerWaalsContact OD1-OG1 3.12Å; K122-T150 PolarHBondContact N-O 2.73Å; C123-T150 PolarHBondContact N-O 3.21Å; C123-T150 VanDerWaalsContact N-O 3.13Å; C123-T150 PolarHBondContact SG-O 3.01Å; T150-T156 CarbonylContact C-O 3.46Å; T150-T156 WeakPolarHBondContact CA-O 3.19Å; T150-T156 WeakPolarHBondContact CB-O 3.4Å; T150-N157 HydrophobicContact CG2-CB 3.94Å
151S97.6Very high96.4Very high1 Ų146.9 Ų46.91%0.00727%0.265CS..  trans-133.5117.2161174.50000110.1D124 K153 D154 A155 T156 V158D124-S151 VanDerWaalsContact CG-OG 3.28Å; D124-S151 VanDerWaalsContact OD1-CB 3.24Å; D124-S151 WeakPolarHBondContact OD1-CB 3.34Å; D124-S151 PolarHBondContact OD1-OG 2.86Å; S151-K153 PolarHBondContact O-N 2.93Å; S151-K153 WeakPolarHBondContact OG-CB 3.29Å; S151-K153 PolarHBondContact OG-N 3.37Å; S151-K153 VanDerWaalsContact OG-N 3.15Å; S151-D154 WeakPolarHBondContact CB-OD1 3.46Å; S151-D154 PolarHBondContact OG-N 2.99Å; S151-D154 PolarHBondContact OG-OD1 2.79Å; S151-A155 CarbonylContact O-C 3.6Å; S151-A155 WeakPolarHBondContact O-CA 3.34Å; S151-A155 PolarHBondContact O-N 2.81Å; S151-T156 PolarHBondContact N-O 3.47Å; S151-T156 PolarHBondContact O-N 2.91Å; S151-V158 VanDerWaalsContact O-CG2 3.28Å; S151-V158 WeakPolarHBondContact O-CG2 3.44Å
152A95.1Very high96.5Very high3 Ų343.1 Ų43.13%0.02525%0.245CC..THydrogen-bonded Turntrans-63.4-23.817000000112.6C23 L24 R27 Y33 N121C23-A152 HydrophobicContact CB-CB 3.63Å; L24-A152 HydrophobicContact CD2-CB 4.01Å; L24-A152 HydrophobicContact CG-CB 4.26Å; R27-A152 HydrophobicContact CB-CB 4.46Å; R27-A152 PolarHBondContact NE-O 3.48Å; Y33-A152 HydrophobicContact CD2-CB 4.25Å; Y33-A152 WeakPolarHBondContact CD2-O 3.34Å; Y33-A152 HydrophobicContact CE2-CB 4.41Å; N121-A152 PolarHBondContact OD1-N 3.01Å
153K94.4Very high96.5Very high89 Ų8941.3 Ų41.339%0.38723%0.228SC..THydrogen-bonded Turntrans-70.8-54.5-176.3-178.3171.6-179.6165.60111.1R27 Y33 E35 S151R27-K153 PolarHBondContact NH2-O 3.09Å; R27-K153 VanDerWaalsContact NH2-O 3.1Å; Y33-K153 HydrophobicContact CD1-CG 4.28Å; Y33-K153 HydrophobicContact CD2-CB 4.47Å; Y33-K153 HydrophobicContact CE1-CB 4.11Å; Y33-K153 HydrophobicContact CE1-CD 4.32Å; Y33-K153 HydrophobicContact CE1-CG 3.81Å; Y33-K153 HydrophobicContact CE2-CB 4.06Å; E35-K153 IonicContact OE1-NZ 2.66Å; S151-K153 PolarHBondContact O-N 2.93Å; S151-K153 WeakPolarHBondContact OG-CB 3.29Å; S151-K153 PolarHBondContact OG-N 3.37Å; S151-K153 VanDerWaalsContact OG-N 3.15Å
154D94.4Very high96.6Very high87 Ų8739.5 Ų39.547%0.46522%0.22SC..THydrogen-bonded Turntrans-101.64.5-178.168.219.8000114.2S151 T156S151-D154 WeakPolarHBondContact CB-OD1 3.46Å; S151-D154 PolarHBondContact OG-N 2.99Å; S151-D154 PolarHBondContact OG-OD1 2.79Å; D154-T156 VanDerWaalsContact C-N 3.27Å; D154-T156 VanDerWaalsContact CG-OG1 3.27Å; D154-T156 PolarHBondContact O-N 3.34Å; D154-T156 WeakPolarHBondContact OD1-CB 3.18Å; D154-T156 PolarHBondContact OD1-N 2.86Å; D154-T156 PolarHBondContact OD1-OG1 2.52Å; D154-T156 PolarHBondContact OD2-OG1 3.4Å
155A95.5Very high96.7Very high41 Ų4134.3 Ų34.334%0.33918%0.183SC..  trans70.48-178.600000116R27 S151 N157 V158R27-A155 HydrophobicContact CG-CB 4.19Å; S151-A155 CarbonylContact O-C 3.6Å; S151-A155 WeakPolarHBondContact O-CA 3.34Å; S151-A155 PolarHBondContact O-N 2.81Å; A155-N157 PolarHBondContact O-N 2.85Å; A155-N157 VanDerWaalsContact O-N 3.14Å; A155-V158 PolarHBondContact O-N 2.7Å
156T97.9Very high96.8Very high56 Ų5633.6 Ų33.634%0.34418%0.18SC..THydrogen-bonded Turntrans-52.9121.7177.3-63.30000111T150 S151 D154 V158T150-T156 CarbonylContact C-O 3.46Å; T150-T156 WeakPolarHBondContact CA-O 3.19Å; T150-T156 WeakPolarHBondContact CB-O 3.4Å; S151-T156 PolarHBondContact N-O 3.47Å; S151-T156 PolarHBondContact O-N 2.91Å; D154-T156 VanDerWaalsContact C-N 3.27Å; D154-T156 VanDerWaalsContact CG-OG1 3.27Å; D154-T156 PolarHBondContact O-N 3.34Å; D154-T156 WeakPolarHBondContact OD1-CB 3.18Å; D154-T156 PolarHBondContact OD1-N 2.86Å; D154-T156 PolarHBondContact OD1-OG1 2.52Å; D154-T156 PolarHBondContact OD2-OG1 3.4Å; T156-V158 PolarHBondContact O-N 3.26Å
157N97.6Very high96.7Very high58 Ų5833.3 Ų33.331%0.3118%0.181SC..THydrogen-bonded Turntrans54.711.2178.1-63.1-27000116.4E149 T150 A155 Q160 S161E149-N157 VanDerWaalsContact O-CB 3.28Å; E149-N157 WeakPolarHBondContact O-CB 3.34Å; E149-N157 PolarHBondContact O-ND2 3.45Å; T150-N157 HydrophobicContact CG2-CB 3.94Å; A155-N157 PolarHBondContact O-N 2.85Å; A155-N157 VanDerWaalsContact O-N 3.14Å; N157-Q160 PolarHBondContact O-N 2.83Å; N157-Q160 PolarHBondContact OD1-OE1 3.06Å; N157-S161 WeakPolarHBondContact O-CB 3.49Å; N157-S161 PolarHBondContact O-N 3.13Å
158V97.3Very high96.5Very high3 Ų336 Ų362%0.01819%0.194CC..Hα-helixtrans-64.3-56-179.1178.90000110L24 R27 F28 S151 A155 T156 Q160 S161 F162L24-V158 HydrophobicContact CD2-CG1 4.24Å; L24-V158 HydrophobicContact CD2-CG2 3.73Å; R27-V158 HydrophobicContact CB-CG1 4.19Å; R27-V158 HydrophobicContact CG-CB 4.17Å; R27-V158 HydrophobicContact CG-CG1 3.88Å; R27-V158 HydrophobicContact CG-CG2 4.02Å; F28-V158 HydrophobicContact CB-CG1 3.99Å; S151-V158 VanDerWaalsContact O-CG2 3.28Å; S151-V158 WeakPolarHBondContact O-CG2 3.44Å; A155-V158 PolarHBondContact O-N 2.7Å; T156-V158 PolarHBondContact O-N 3.26Å; V158-Q160 VanDerWaalsContact C-N 3.29Å; V158-Q160 PolarHBondContact O-N 3.3Å; V158-S161 PolarHBondContact O-N 3.3Å; V158-S161 PolarHBondContact O-OG 2.69Å; V158-F162 HydrophobicContact CG1-CD2 4.49Å; V158-F162 HydrophobicContact CG1-CE2 4.21Å; V158-F162 VanDerWaalsContact O-CD2 3.31Å; V158-F162 WeakPolarHBondContact O-CD2 2.93Å
159E96.3Very high96.4Very high79 Ų7934.9 Ų34.937%0.36919%0.188SC..Hα-helixtrans-55.4-47.1175.9-169.271.7-173.500111.1F28 R48 S161 F162 M163F28-E159 WeakPolarHBondContact CD2-OE2 3.2Å; F28-E159 VanDerWaalsContact CE2-OE2 3.28Å; F28-E159 WeakPolarHBondContact CE2-OE2 3.23Å; R48-E159 IonicContact CZ-OE1 3.67Å; R48-E159 IonicContact CZ-OE2 3.53Å; R48-E159 IonicContact NH1-OE1 3.21Å; R48-E159 IonicContact NH1-OE2 3.85Å; R48-E159 PolarHBondContact NH1-OE2 3.19Å; R48-E159 IonicContact NH2-OE1 3.42Å; R48-E159 PolarHBondContact NH2-OE1 3.13Å; R48-E159 IonicContact NH2-OE2 2.8Å; R48-E159 PolarHBondContact NH2-OE2 2.93Å; E159-S161 VanDerWaalsContact C-N 3.27Å; E159-S161 PolarHBondContact O-N 3.37Å; E159-F162 PolarHBondContact O-N 2.96Å; E159-M163 HydrophobicContact CG-CG 4.12Å; E159-M163 WeakPolarHBondContact O-CB 3.18Å; E159-M163 WeakPolarHBondContact O-CG 3.49Å; E159-M163 PolarHBondContact O-N 3.09Å
160Q97.1Very high96.1Very high97 Ų9735.2 Ų35.245%0.45319%0.189SC..Hα-helixtrans-59.7-36.3-178.2-174.7175.2-13.900112.5L148 N157 V158 M163 T164L148-Q160 HydrophobicContact CD1-CG 4.27Å; N157-Q160 PolarHBondContact O-N 2.83Å; N157-Q160 PolarHBondContact OD1-OE1 3.06Å; V158-Q160 VanDerWaalsContact C-N 3.29Å; V158-Q160 PolarHBondContact O-N 3.3Å; Q160-M163 PolarHBondContact O-N 2.81Å; Q160-T164 VanDerWaalsContact O-CB 3.22Å; Q160-T164 WeakPolarHBondContact O-CB 3.39Å; Q160-T164 PolarHBondContact O-N 2.94Å; Q160-T164 PolarHBondContact O-OG1 2.8Å
161S97.5Very high95.7Very high2 Ų242.9 Ų42.91%0.01422%0.222CC..Hα-helixtrans-62.9-46.8179.372.20000112.5L117 N157 V158 E159 M165L117-S161 VanDerWaalsContact CD2-O 3.24Å; L117-S161 WeakPolarHBondContact CD2-O 3.47Å; N157-S161 WeakPolarHBondContact O-CB 3.49Å; N157-S161 PolarHBondContact O-N 3.13Å; V158-S161 PolarHBondContact O-N 3.3Å; V158-S161 PolarHBondContact O-OG 2.69Å; E159-S161 VanDerWaalsContact C-N 3.27Å; E159-S161 PolarHBondContact O-N 3.37Å; S161-M165 PolarHBondContact O-N 2.92Å; S161-M165 VanDerWaalsContact O-N 3.11Å
162F97.3Very high95.3Very high2 Ų247.5 Ų47.51%0.00924%0.24CC..Hα-helixtrans-71.8-38.3178.2-68.7-81.5000112L11 L13 F28 I61 I85 V158 E159 M165 A166L11-F162 HydrophobicContact CD1-CD1 4.13Å; L13-F162 HydrophobicContact CD1-CZ 4.41Å; L13-F162 HydrophobicContact CD2-CE1 4.01Å; L13-F162 HydrophobicContact CD2-CZ 4.18Å; F28-F162 HydrophobicContact CB-CD2 3.69Å; F28-F162 HydrophobicContact CB-CE2 3.49Å; F28-F162 VanDerWaalsContact CB-CE2 3.49Å; F28-F162 HydrophobicContact CB-CZ 4.19Å; F28-F162 HydrophobicContact CD1-CB 4.41Å; F28-F162 HydrophobicContact CD1-CD1 4.18Å; F28-F162 AromaticContact CD1-CD2 3.89Å; F28-F162 HydrophobicContact CD1-CD2 3.89Å; F28-F162 HydrophobicContact CD1-CE1 4.45Å; F28-F162 HydrophobicContact CD1-CE2 4.19Å; F28-F162 AromaticContact CD1-CG 3.9Å; F28-F162 HydrophobicContact CD1-CG 3.9Å; F28-F162 HydrophobicContact CD1-CZ 4.45Å; F28-F162 HydrophobicContact CD2-CB 3.88Å; F28-F162 AromaticContact CD2-CD2 3.34Å; F28-F162 HydrophobicContact CD2-CD2 3.34Å; F28-F162 HydrophobicContact CD2-CE2 4.09Å; F28-F162 AromaticContact CD2-CG 3.78Å; F28-F162 HydrophobicContact CD2-CG 3.78Å; F28-F162 HydrophobicContact CE1-CB 4.04Å; F28-F162 HydrophobicContact CE1-CD1 4.26Å; F28-F162 HydrophobicContact CE1-CD2 4.37Å; F28-F162 AromaticContact CE1-CG 3.97Å; F28-F162 HydrophobicContact CE1-CG 3.97Å; F28-F162 HydrophobicContact CE2-CB 3.45Å; F28-F162 VanDerWaalsContact CE2-CB 3.45Å; F28-F162 AromaticContact CE2-CD2 3.89Å; F28-F162 HydrophobicContact CE2-CD2 3.89Å; F28-F162 AromaticContact CE2-CG 3.85Å; F28-F162 HydrophobicContact CE2-CG 3.85Å; F28-F162 HydrophobicContact CG-CB 4.34Å; F28-F162 HydrophobicContact CG-CD1 4.46Å; F28-F162 AromaticContact CG-CD2 3.34Å; F28-F162 HydrophobicContact CG-CD2 3.34Å; F28-F162 AromaticContact CG-CE2 3.66Å; F28-F162 HydrophobicContact CG-CE2 3.66Å; F28-F162 AromaticContact CG-CG 3.8Å; F28-F162 HydrophobicContact CG-CG 3.8Å; F28-F162 HydrophobicContact CG-CZ 4.34Å; F28-F162 HydrophobicContact CZ-CB 3.55Å; F28-F162 HydrophobicContact CZ-CD2 4.38Å; F28-F162 AromaticContact CZ-CG 3.96Å; F28-F162 HydrophobicContact CZ-CG 3.96Å; I61-F162 HydrophobicContact CD1-CD1 3.89Å; I61-F162 HydrophobicContact CD1-CE1 3.85Å; I61-F162 HydrophobicContact CG2-CE1 4.03Å; I85-F162 HydrophobicContact CD1-CD1 3.85Å; I85-F162 HydrophobicContact CD1-CE1 3.82Å; V158-F162 HydrophobicContact CG1-CD2 4.49Å; V158-F162 HydrophobicContact CG1-CE2 4.21Å; V158-F162 VanDerWaalsContact O-CD2 3.31Å; V158-F162 WeakPolarHBondContact O-CD2 2.93Å; E159-F162 PolarHBondContact O-N 2.96Å; F162-M165 PolarHBondContact O-N 2.86Å; F162-A166 WeakPolarHBondContact O-CB 3.25Å; F162-A166 PolarHBondContact O-N 2.99Å
163M96.5Very high94.6Very high47 Ų4749.5 Ų49.523%0.23225%0.249CC..Hα-helixtrans-64.1-41.7175.5-67.3-63.8-80.300112I50 L52 E159 Q160 A166 A167I50-M163 HydrophobicContact CB-SD 4.16Å; I50-M163 HydrophobicContact CD1-CE 4.47Å; I50-M163 HydrophobicContact CD1-SD 3.45Å; I50-M163 WeakPolarHBondContact CD1-SD 3.48Å; I50-M163 HydrophobicContact CG1-SD 4.36Å; I50-M163 HydrophobicContact CG2-SD 4.29Å; L52-M163 HydrophobicContact CD1-CE 3.65Å; E159-M163 HydrophobicContact CG-CG 4.12Å; E159-M163 WeakPolarHBondContact O-CB 3.18Å; E159-M163 WeakPolarHBondContact O-CG 3.49Å; E159-M163 PolarHBondContact O-N 3.09Å; Q160-M163 PolarHBondContact O-N 2.81Å; M163-A166 PolarHBondContact O-N 3.03Å; M163-A167 WeakPolarHBondContact O-CB 3.3Å; M163-A167 PolarHBondContact O-N 3.33Å
164T96.3Very high93.4Very high39 Ų3946.5 Ų46.524%0.23924%0.243CC..Hα-helixtrans-61.5-46.5175.7-59.70000110.7P146 Q160 A166 A167 E168P146-T164 HydrophobicContact CB-CG2 4.39Å; Q160-T164 VanDerWaalsContact O-CB 3.22Å; Q160-T164 WeakPolarHBondContact O-CB 3.39Å; Q160-T164 PolarHBondContact O-N 2.94Å; Q160-T164 PolarHBondContact O-OG1 2.8Å; T164-A166 PolarHBondContact O-N 2.64Å; T164-A167 PolarHBondContact O-N 2.83Å; T164-E168 WeakPolarHBondContact O-CG 3.48Å; T164-E168 PolarHBondContact O-N 2.81Å
165M96.8Very high91.6Very high3 Ų348.9 Ų48.92%0.01526%0.263CS..Hα-helixtrans-60.3-45.8176178.157.179.200111.9L11 I84 I85 N115 L117 S161 F162 A167 E168 I169L11-M165 HydrophobicContact CD1-CG 4.17Å; L11-M165 HydrophobicContact CD2-CG 3.65Å; I84-M165 VanDerWaalsContact O-CE 3.23Å; I84-M165 WeakPolarHBondContact O-CE 3.37Å; I85-M165 HydrophobicContact CD1-CB 4.38Å; I85-M165 HydrophobicContact CG1-CE 3.73Å; I85-M165 HydrophobicContact CG1-CG 4.4Å; N115-M165 HydrophobicContact CB-SD 3.71Å; L117-M165 HydrophobicContact CB-CE 3.39Å; L117-M165 HydrophobicContact CD2-CB 4.35Å; S161-M165 PolarHBondContact O-N 2.92Å; S161-M165 VanDerWaalsContact O-N 3.11Å; F162-M165 PolarHBondContact O-N 2.86Å; M165-A167 VanDerWaalsContact C-N 3.33Å; M165-A167 PolarHBondContact O-N 3.24Å; M165-E168 PolarHBondContact O-N 2.92Å; M165-I169 HydrophobicContact CG-CD1 3.84Å; M165-I169 WeakPolarHBondContact O-CD1 3.26Å; M165-I169 VanDerWaalsContact O-CG1 3.26Å; M165-I169 WeakPolarHBondContact O-CG1 3.24Å; M165-I169 PolarHBondContact O-N 3.46Å; M165-I169 HydrophobicContact SD-CD1 3.84Å; M165-I169 HydrophobicContact SD-CG1 4.05Å
166A96.1Very high89.4Confident0 Ų050.3 Ų50.30%028%0.282CS..Hα-helixtrans-61.9-41.2178.100000112.1F9 I50 L52 L59 F162 M163 T164 I169 K170F9-A166 HydrophobicContact CD2-CB 4.34Å; F9-A166 HydrophobicContact CE2-CB 4.45Å; F9-A166 WeakPolarHBondContact CE2-O 3.37Å; I50-A166 HydrophobicContact CD1-CB 3.78Å; L52-A166 HydrophobicContact CD2-CB 4.3Å; L59-A166 HydrophobicContact CD2-CB 4.2Å; F162-A166 WeakPolarHBondContact O-CB 3.25Å; F162-A166 PolarHBondContact O-N 2.99Å; M163-A166 PolarHBondContact O-N 3.03Å; T164-A166 PolarHBondContact O-N 2.64Å; A166-I169 PolarHBondContact O-N 2.85Å; A166-K170 VanDerWaalsContact O-CB 3.3Å; A166-K170 WeakPolarHBondContact O-CB 3.19Å; A166-K170 PolarHBondContact O-N 2.91Å
167A95.1Very high87.2Confident37 Ų3750 Ų5031%0.30629%0.285SS..Hα-helixtrans-63.1-45.1176.200000112.3L52 M163 T164 M165 I169 K170 K171L52-A167 HydrophobicContact CD2-CB 3.94Å; M163-A167 WeakPolarHBondContact O-CB 3.3Å; M163-A167 PolarHBondContact O-N 3.33Å; T164-A167 PolarHBondContact O-N 2.83Å; M165-A167 VanDerWaalsContact C-N 3.33Å; M165-A167 PolarHBondContact O-N 3.24Å; A167-I169 PolarHBondContact O-N 3.4Å; A167-K170 PolarHBondContact O-N 3.34Å; A167-K171 VanDerWaalsContact O-CB 3.29Å; A167-K171 WeakPolarHBondContact O-CB 3.27Å; A167-K171 PolarHBondContact O-N 3.14Å
168E93.9Very high84.7Confident67 Ų6750.5 Ų50.531%0.31329%0.29SS..Hα-helixtrans-63.5-40.4178-75.6-60.6126.700112.3N115 P146 T164 M165 R172N115-E168 PolarHBondContact ND2-O 2.96Å; P146-E168 HydrophobicContact CG-CG 4.34Å; T164-E168 WeakPolarHBondContact O-CG 3.48Å; T164-E168 PolarHBondContact O-N 2.81Å; M165-E168 PolarHBondContact O-N 2.92Å; E168-R172 WeakPolarHBondContact O-CB 3.42Å; E168-R172 PolarHBondContact O-N 3.37Å; E168-R172 VanDerWaalsContact O-N 3.08Å
169I94.4Very high82.3Confident0 Ų055.5 Ų55.50%033%0.332CS..Hα-helixtrans-65.1-46.6174.6-66.3164.3000110.8F9 L11 H82 N115 M165 A166 A167 K171 R172 M173F9-I169 HydrophobicContact CB-CD1 4.41Å; F9-I169 HydrophobicContact CD1-CG2 3.79Å; F9-I169 HydrophobicContact CD2-CB 4.1Å; F9-I169 HydrophobicContact CD2-CD1 4.27Å; F9-I169 HydrophobicContact CD2-CG2 3.83Å; F9-I169 HydrophobicContact CE1-CG2 3.84Å; F9-I169 HydrophobicContact CE2-CB 4.04Å; F9-I169 HydrophobicContact CE2-CG2 3.82Å; F9-I169 HydrophobicContact CG-CD1 4.46Å; F9-I169 HydrophobicContact CG-CG2 3.83Å; F9-I169 HydrophobicContact CZ-CB 4.46Å; F9-I169 HydrophobicContact CZ-CG2 3.84Å; L11-I169 HydrophobicContact CD2-CD1 3.36Å; H82-I169 HydrophobicContact CB-CD1 3.97Å; H82-I169 HydrophobicContact CB-CG1 4.4Å; H82-I169 HydrophobicContact CB-CG2 3.95Å; N115-I169 HydrophobicContact CB-CG1 3.84Å; N115-I169 WeakPolarHBondContact OD1-CA 3.44Å; N115-I169 WeakPolarHBondContact OD1-CG1 3.35Å; M165-I169 HydrophobicContact CG-CD1 3.84Å; M165-I169 WeakPolarHBondContact O-CD1 3.26Å; M165-I169 VanDerWaalsContact O-CG1 3.26Å; M165-I169 WeakPolarHBondContact O-CG1 3.24Å; M165-I169 PolarHBondContact O-N 3.46Å; M165-I169 HydrophobicContact SD-CD1 3.84Å; M165-I169 HydrophobicContact SD-CG1 4.05Å; A166-I169 PolarHBondContact O-N 2.85Å; A167-I169 PolarHBondContact O-N 3.4Å; I169-K171 PolarHBondContact O-N 2.92Å; I169-R172 PolarHBondContact O-N 3.12Å; I169-M173 HydrophobicContact CG2-CE 3.52Å; I169-M173 WeakPolarHBondContact O-CG 3.5Å; I169-M173 PolarHBondContact O-N 3.29Å
170K92.6Very high79.8Confident29 Ų2955 Ų5513%0.12635%0.349CS..Hα-helixtrans-60.9-45.7179.5-177.5-174.9176.3-171.80111.1F9 L52 D53 I57 A166 A167 R172 M173 G174F9-K170 HydrophobicContact CE2-CB 4.24Å; F9-K170 HydrophobicContact CZ-CB 4.1Å; L52-K170 HydrophobicContact CD2-CD 4.05Å; L52-K170 PolarHBondContact O-NZ 3.46Å; D53-K170 VanDerWaalsContact CB-NZ 3.29Å; D53-K170 IonicContact OD2-NZ 2.66Å; D53-K170 PolarHBondContact OD2-NZ 3.33Å; I57-K170 HydrophobicContact CD1-CD 4.21Å; A166-K170 VanDerWaalsContact O-CB 3.3Å; A166-K170 WeakPolarHBondContact O-CB 3.19Å; A166-K170 PolarHBondContact O-N 2.91Å; A167-K170 PolarHBondContact O-N 3.34Å; K170-R172 VanDerWaalsContact C-N 3.33Å; K170-R172 PolarHBondContact O-N 3.47Å; K170-M173 PolarHBondContact O-N 2.89Å; K170-G174 PolarHBondContact O-N 3.05Å
171K90.9Very high77Confident161 Ų16154 Ų5470%0.737%0.365SS*.Hα-helixtrans-58.8-43.8176.9-176.7-178.2176.9-173.60111.6A167 I169 G174A167-K171 VanDerWaalsContact O-CB 3.29Å; A167-K171 WeakPolarHBondContact O-CB 3.27Å; A167-K171 PolarHBondContact O-N 3.14Å; I169-K171 PolarHBondContact O-N 2.92Å; K171-G174 PolarHBondContact O-N 2.99Å
172R87.9Confident74.2Confident98 Ų9862.3 Ų62.337%0.3740%0.403SS..Hα-helixtrans-63.2-40.2176.6-171.6-164.872.4-158.8-8.2112.4H82 N113 N115 E168 I169 K170 G174H82-R172 PolarHBondContact O-NH1 3.35Å; N113-R172 WeakPolarHBondContact O-CD 3.32Å; N113-R172 PolarHBondContact O-NH1 3.33Å; N115-R172 WeakPolarHBondContact OD1-CD 3.44Å; N115-R172 PolarHBondContact OD1-NH1 3.41Å; E168-R172 WeakPolarHBondContact O-CB 3.42Å; E168-R172 PolarHBondContact O-N 3.37Å; E168-R172 VanDerWaalsContact O-N 3.08Å; I169-R172 PolarHBondContact O-N 3.12Å; K170-R172 VanDerWaalsContact C-N 3.33Å; K170-R172 PolarHBondContact O-N 3.47Å; R172-G174 VanDerWaalsContact C-N 3.29Å; R172-G174 PolarHBondContact O-N 3.03Å
173M81.6Confident71.6Confident45 Ų4571.1 Ų71.122%0.22244%0.441CS..Hα-helixtrans-76.1-15.4-176.2-75.4-145.4-89.900114.1F9 I169 K170 A177F9-M173 HydrophobicContact CD1-CE 3.44Å; F9-M173 VanDerWaalsContact CD1-CE 3.44Å; F9-M173 HydrophobicContact CE1-CE 3.02Å; F9-M173 HydrophobicContact CZ-CE 3.88Å; I169-M173 HydrophobicContact CG2-CE 3.52Å; I169-M173 WeakPolarHBondContact O-CG 3.5Å; I169-M173 PolarHBondContact O-N 3.29Å; K170-M173 PolarHBondContact O-N 2.89Å; M173-A177 HydrophobicContact CB-CB 3.88Å; M173-A177 HydrophobicContact CG-CB 4.46Å; M173-A177 VanDerWaalsContact O-CB 3.24Å; M173-A177 WeakPolarHBondContact O-CB 3.42Å; M173-A177 HydrophobicContact SD-CB 4.23Å
174G68.3Low68.9Low26 Ų2676.8 Ų76.827%0.26847%0.467SS..G310 helixtrans63177.217500000114.3K170 K171 R172 G176K170-G174 PolarHBondContact O-N 3.05Å; K171-G174 PolarHBondContact O-N 2.99Å; R172-G174 VanDerWaalsContact C-N 3.29Å; R172-G174 PolarHBondContact O-N 3.03Å; G174-G176 PolarHBondContact O-N 3.1Å
175P56.3Low65.9Low136 Ų13681 Ų8188%0.88349%0.488SS*.G310 helixtrans-67.50.1-178.2-18.631.2000115.6
176G49.6Very low63.1Low71 Ų7188 Ų8873%0.73252%0.524SS*.G310 helixtrans-116.4-5.1-168.600000116.5G174 T178G174-G176 PolarHBondContact O-N 3.1Å; G176-T178 VanDerWaalsContact C-N 3.32Å; G176-T178 PolarHBondContact O-N 3.38Å
177A52.1Low60.4Low50 Ų5097.2 Ų97.241%0.41357%0.565SS.*  trans-94.336-17600000113.7M173M173-A177 HydrophobicContact CB-CB 3.88Å; M173-A177 HydrophobicContact CG-CB 4.46Å; M173-A177 VanDerWaalsContact O-CB 3.24Å; M173-A177 WeakPolarHBondContact O-CB 3.42Å; M173-A177 HydrophobicContact SD-CB 4.23Å
178T44.5Very low57.8Low68 Ų68102.7 Ų102.742%0.41759%0.587SS.*  trans-96.9130170.848.10000110.9Y7 G176Y7-T178 HydrophobicContact CD1-CG2 4.09Å; Y7-T178 HydrophobicContact CE1-CG2 3.42Å; Y7-T178 VanDerWaalsContact CE1-CG2 3.42Å; Y7-T178 HydrophobicContact CE2-CG2 4.32Å; G176-T178 VanDerWaalsContact C-N 3.32Å; G176-T178 PolarHBondContact O-N 3.38Å
179A48.2Very low55.3Low108 Ų108106.4 Ų106.489%0.89361%0.609SS**SBendtrans86.199.1168.200000117.2
180G43.8Very low52.8Low70 Ų70111 Ų11172%0.72264%0.641SS**  trans130.560.6154.900000114.8E182G180-E182 PolarHBondContact O-N 2.94Å
181G38Very low50.7Low76 Ų76115.2 Ų115.278%0.78467%0.67SS**  trans-57114.8151.800000107.1K183G181-K183 PolarHBondContact O-N 3.05Å
182E38.2Very low48.4Very low175 Ų175113.1 Ų113.182%0.81867%0.672SS**  trans-47.1112173.8-75.7178.9133.900108.3G180 H184G180-E182 PolarHBondContact O-N 2.94Å; E182-H184 PolarHBondContact O-N 2.81Å
183K43.4Very low46.5Very low188 Ų188115 Ų11582%0.81770%0.695SS**  trans-66.687.5164.8-73.3-176.4177.81800106.6G181 N185G181-K183 PolarHBondContact O-N 3.05Å; K183-N185 PolarHBondContact O-N 2.83Å
184H38Very low44.8Very low165 Ų165124.1 Ų124.176%0.76473%0.726SS**  trans-6974.7153-102.5-59000107.6E182 L186E182-H184 PolarHBondContact O-N 2.81Å; H184-L186 PolarHBondContact O-N 2.97Å
185N34.8Very low43.7Very low128 Ų128132.1 Ų132.168%0.68476%0.757SS**  trans-64.993.7158.1-102.2-5000105.8K183 K187K183-N185 PolarHBondContact O-N 2.83Å; N185-K187 PolarHBondContact O-N 2.97Å
186L38.4Very low43.1Very low149 Ų149131.1 Ų131.178%0.7875%0.753SS**  trans-64.394156.4-74.1164.8000106H184 I188H184-L186 PolarHBondContact O-N 2.97Å; L186-I188 VanDerWaalsContact C-N 3.28Å; L186-I188 PolarHBondContact O-N 2.91Å
187K37.8Very low42.7Very low194 Ų194131.2 Ų131.284%0.84375%0.754SS**  trans-63.398.2160.5-78.1-175.3175.7-177.80105.9N185 D189N185-K187 PolarHBondContact O-N 2.97Å; K187-D189 PolarHBondContact O-N 2.99Å
188I40.9Very low42.2Very low152 Ų152132.9 Ų132.978%0.77978%0.776SS**  trans-71.392.7164.3-58.7176.2000104.9L186 S190L186-I188 VanDerWaalsContact C-N 3.28Å; L186-I188 PolarHBondContact O-N 2.91Å; I188-S190 VanDerWaalsContact C-N 3.28Å; I188-S190 PolarHBondContact O-N 3.09Å; I188-S190 VanDerWaalsContact O-N 3.09Å
189D42.3Very low42Very low145 Ų145133.4 Ų133.478%0.77580%0.795SS**  trans-75.891.3167.1-144.1-10.3000106K187 T191K187-D189 PolarHBondContact O-N 2.99Å; D189-T191 VanDerWaalsContact C-N 3.33Å; D189-T191 PolarHBondContact O-N 2.98Å
190S42Very low41.7Very low96 Ų96134.5 Ų134.567%0.67180%0.795SS**  trans-69.594.7173.553.50000107.9I188 P192I188-S190 VanDerWaalsContact C-N 3.28Å; I188-S190 PolarHBondContact O-N 3.09Å; I188-S190 VanDerWaalsContact O-N 3.09Å; S190-P192 WeakPolarHBondContact O-CD 3.42Å
191T47.6Very low41.5Very low118 Ų118141 Ų14172%0.72483%0.827SS**  trans-65.8121.6162.637.70000107.9D189 V193D189-T191 VanDerWaalsContact C-N 3.33Å; D189-T191 PolarHBondContact O-N 2.98Å; T191-V193 PolarHBondContact O-N 3.05Å
192P42.8Very low41.6Very low117 Ų117144.3 Ų144.376%0.7683%0.829SS**  trans-65.5125.6176.725.5-31000108.6S190 R194S190-P192 WeakPolarHBondContact O-CD 3.42Å; P192-R194 PolarHBondContact O-N 3.24Å
193V47.2Very low41.8Very low138 Ų138142.6 Ų142.684%0.83683%0.83SS**  trans-57.5112.5172175.80000107.7T191 Q195T191-V193 PolarHBondContact O-N 3.05Å; V193-Q195 PolarHBondContact O-N 3.15Å; V193-Q195 VanDerWaalsContact O-N 3.15Å
194R46.8Very low41.7Very low236 Ų236140.1 Ų140.189%0.89183%0.83SS**  trans-62.4115.5168.7-85.9-177.4168-175.1-3.3107.8P192 S196P192-R194 PolarHBondContact O-N 3.24Å; R194-S196 VanDerWaalsContact C-N 3.35Å; R194-S196 PolarHBondContact O-N 3.25Å
195Q45.5Very low41.9Very low194 Ų194138.6 Ų138.691%0.90783%0.834SS**  trans-63.297.6163.4-75.5179.4-10.600108.1V193 G197V193-Q195 PolarHBondContact O-N 3.15Å; V193-Q195 VanDerWaalsContact O-N 3.15Å; Q195-G197 PolarHBondContact O-N 2.96Å
196S44.2Very low42.4Very low116 Ų116139.3 Ų139.381%0.81184%0.844SS**  trans-76.6100.8162.148.80000107.6R194R194-S196 VanDerWaalsContact C-N 3.35Å; R194-S196 PolarHBondContact O-N 3.25Å
197G40.3Very low42.7Very low72 Ų72138.7 Ų138.774%0.74285%0.848SS**  trans-64.2143.316900000112Q195Q195-G197 PolarHBondContact O-N 2.96Å
198G42.2Very low43Very low85 Ų85134.7 Ų134.788%0.87685%0.848SS**  trans41.3123.2144.900000120.7
199G40.2Very low43.2Very low80 Ų80133.4 Ų133.483%0.82585%0.853SS**  trans173.6108.715500000113.3
200C40.5Very low43.2Very low130 Ų130132.4 Ų132.488%0.87886%0.86SS**  trans-57146.5166.1-68.70000112.4
201C39.5Very low43.3Very low207 Ų207135.7 Ų135.7100%1.39988%0.877SS**  -173.70122.1-96.90000108.8

Retrieved 201 of 201 residues in 985.2 ms (Link to these results)

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